#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orb s VAL 2 N 0.00 3.61 -0.01 6.31 1.01 -1.26 -4.26 120.40 125.80 2orb s VAL 2 Ca 0.00 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2orb s VAL 2 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2orb s VAL 2 CO 0.00 0.14 -0.04 -1.00 0.00 0.00 0.00 175.10 174.20 2orb s HIS 3 N 0.63 0.39 -0.18 5.22 3.76 0.77 -5.00 115.29 120.87 2orb s HIS 3 Ca 0.58 -0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 2orb s HIS 3 Cb -0.33 -0.28 0.05 0.00 1.11 0.00 0.00 32.58 33.13 2orb s HIS 3 CO 0.33 -0.03 0.01 -0.51 -0.85 0.00 0.00 174.74 173.69 2orb s LEU 4 N 0.07 1.34 -0.19 0.89 1.43 -1.26 -1.21 118.68 119.75 2orb s LEU 4 Ca -0.00 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2orb s LEU 4 Cb -0.04 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 2orb s LEU 4 CO -0.00 -0.27 -0.02 -0.69 0.23 0.00 0.00 176.35 175.59 2orb s VAL 5 N 1.79 3.81 0.24 -1.59 1.01 -0.89 -3.57 120.40 121.19 2orb s VAL 5 Ca -0.01 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2orb s VAL 5 Cb -0.17 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2orb s VAL 5 CO -0.07 0.45 0.26 -1.61 0.00 0.00 0.00 175.10 174.12 2orb s GLU 6 N 0.85 3.14 0.18 2.72 2.02 -1.26 0.04 118.70 126.39 2orb s GLU 6 Ca -0.00 -0.91 -0.23 0.00 0.02 0.00 0.00 54.97 53.84 2orb s GLU 6 Cb -0.14 -2.71 0.05 0.00 0.10 0.00 0.00 34.13 31.43 2orb s GLU 6 CO 0.02 0.42 0.77 -1.54 0.02 0.00 0.00 175.26 174.95 2orb s SER 7 N -3.82 -0.32 0.00 -0.19 1.04 -0.60 -4.95 113.70 104.85 2orb s SER 7 Ca 0.33 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2orb s SER 7 Cb -0.09 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2orb s SER 7 CO 0.26 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2orb n GLY 8 N -0.42 0.47 3.72 7.32 0.00 -1.26 -1.74 105.19 113.28 2orb n GLY 8 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2orb n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2orb s GLY 9 N -1.70 2.63 0.00 -0.02 0.00 -1.26 -4.78 107.32 102.20 2orb s GLY 9 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 44.72 45.81 2orb s GLY 9 CO 0.00 1.51 0.00 1.34 0.00 0.00 0.00 173.10 175.95 2orb n ASP 10 N -2.33 0.00 -4.76 1.64 2.03 0.30 -4.90 116.55 108.52 2orb n ASP 10 Ca 0.15 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.07 2orb n ASP 10 Cb 0.49 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.83 2orb n ASP 10 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2orb s LEU 11 N 0.00 4.42 0.01 -2.67 1.98 -1.26 -1.62 118.68 119.55 2orb s LEU 11 Ca 0.00 1.14 -0.01 0.00 -2.89 0.00 0.00 54.13 52.37 2orb s LEU 11 Cb 0.00 -2.90 -0.01 0.00 0.66 0.00 0.00 46.19 43.93 2orb s LEU 11 CO 0.00 0.11 0.00 -0.69 -1.89 0.00 0.00 176.35 173.88 2orb s VAL 12 N -0.20 0.08 0.55 1.68 1.01 0.18 -4.95 120.40 118.75 2orb s VAL 12 Ca 0.31 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2orb s VAL 12 Cb -0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2orb s VAL 12 CO 0.17 -0.38 1.09 -0.54 0.00 0.00 0.00 175.10 175.44 2orb s LYS 13 N -1.14 3.39 0.27 2.72 1.02 -1.26 -2.19 119.74 122.56 2orb s LYS 13 Ca -0.12 1.45 -0.31 0.00 0.02 0.00 0.00 55.97 57.00 2orb s LYS 13 Cb -0.08 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 35.09 2orb s LYS 13 CO -0.00 -0.78 1.63 -2.30 -0.92 0.00 0.00 175.35 172.97 2orb n PRO 14 N -1.48 2.71 0.00 -1.68 -0.02 -1.26 -0.67 135.00 132.60 2orb n PRO 14 Ca 0.10 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2orb n PRO 14 Cb 0.52 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2orb n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2orb n GLY 15 N 2.65 3.29 3.15 -1.23 0.00 0.16 -4.92 105.19 108.29 2orb n GLY 15 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2orb n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2orb n GLY 16 N -1.53 -2.83 3.39 -0.02 0.00 0.16 -3.52 105.19 100.84 2orb n GLY 16 Ca 0.00 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 2orb n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2orb s SER 17 N -4.09 2.65 -0.26 1.61 0.01 -1.26 -2.19 113.70 110.18 2orb s SER 17 Ca 0.64 -1.12 -0.20 0.00 1.31 0.00 0.00 55.95 56.58 2orb s SER 17 Cb -0.07 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.09 2orb s SER 17 CO 0.49 -0.28 0.67 -0.22 0.41 0.00 0.00 173.24 174.31 2orb s LEU 18 N -3.39 -0.69 -0.24 2.44 0.20 0.01 -5.00 118.68 112.02 2orb s LEU 18 Ca 0.27 1.39 -0.06 0.00 0.69 0.00 0.00 54.13 56.42 2orb s LEU 18 Cb 0.02 2.29 -0.02 0.00 -0.43 0.00 0.00 46.19 48.05 2orb s LEU 18 CO 0.10 -0.23 0.04 -0.75 -0.29 0.00 0.00 176.35 175.21 2orb s LYS 19 N 0.88 3.59 -0.07 1.98 2.47 -1.26 -0.86 119.74 126.46 2orb s LYS 19 Ca -0.04 -0.51 -0.01 0.00 -1.56 0.00 0.00 55.97 53.84 2orb s LYS 19 Cb -0.05 -3.24 -0.03 0.00 -1.46 0.00 0.00 37.83 33.05 2orb s LYS 19 CO -0.07 -0.18 0.01 -0.51 0.16 0.00 0.00 175.35 174.76 2orb s LEU 20 N 1.54 3.62 0.12 5.43 1.43 -0.64 -4.67 118.68 125.51 2orb s LEU 20 Ca 0.06 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 2orb s LEU 20 Cb -0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2orb s LEU 20 CO 0.02 0.35 -0.22 -0.94 0.23 0.00 0.00 176.35 175.79 2orb s SER 21 N -1.08 2.79 -0.07 2.29 1.04 -0.71 -1.36 113.70 116.60 2orb s SER 21 Ca 0.15 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 2orb s SER 21 Cb -0.11 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 65.87 2orb s SER 21 CO 0.05 0.07 0.02 0.00 0.98 0.00 0.00 173.24 174.36 2orb s ALA 23 N 2.03 3.49 0.20 0.00 0.00 0.11 -0.74 121.76 126.85 2orb s ALA 23 Ca 0.05 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.34 2orb s ALA 23 Cb -0.12 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 2orb s ALA 23 CO -0.05 -1.15 0.73 0.00 0.00 0.00 0.00 175.76 175.29 2orb s ALA 24 N 1.78 3.43 -0.19 0.00 0.00 -0.47 -2.10 121.76 124.21 2orb s ALA 24 Ca 0.07 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.08 2orb s ALA 24 Cb -0.18 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.14 2orb s ALA 24 CO 0.11 0.32 0.50 -1.54 0.00 0.00 0.00 175.76 175.14 2orb s SER 25 N -1.49 -0.52 0.00 0.00 1.04 -0.35 -4.88 113.70 107.50 2orb s SER 25 Ca 0.40 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2orb s SER 25 Cb -0.19 1.01 0.00 0.00 0.10 0.00 0.00 66.02 66.95 2orb s SER 25 CO 0.22 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2orb n GLY 26 N 2.89 1.06 3.76 7.32 0.00 -1.26 -0.16 105.19 118.80 2orb n GLY 26 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2orb n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2orb s PHE 27 N -2.00 -0.05 -0.97 1.61 -0.12 -1.26 -4.39 117.98 110.80 2orb s PHE 27 Ca 0.00 -0.22 -0.21 0.00 -0.05 0.00 0.00 56.93 56.45 2orb s PHE 27 Cb 0.00 0.63 0.09 0.00 -0.63 0.00 0.00 43.02 43.11 2orb s PHE 27 CO 0.00 -0.69 1.28 0.99 -0.05 0.00 0.00 175.22 176.75 2orb s THR 28 N -2.76 4.31 0.21 -4.49 2.01 -1.26 -4.88 115.64 108.78 2orb s THR 28 Ca 0.16 -1.13 -0.13 0.00 0.31 0.00 0.00 61.69 60.89 2orb s THR 28 Cb -0.00 -4.92 0.26 0.00 0.01 0.00 0.00 72.50 67.85 2orb s THR 28 CO 0.01 -1.72 1.37 0.33 -0.69 0.00 0.00 174.62 173.92 2orb n PHE 29 N 7.75 0.09 0.57 4.92 7.35 -1.26 -0.00 117.46 136.88 2orb n PHE 29 Ca 0.28 1.08 0.05 0.00 -0.76 0.00 0.00 57.45 58.10 2orb n PHE 29 Cb 0.50 -0.87 0.28 0.00 0.35 0.00 0.00 39.48 39.74 2orb n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2orb n SER 30 N -5.33 0.00 -0.93 -2.13 3.41 -1.26 -1.95 113.62 105.43 2orb n SER 30 Ca 0.10 -0.19 0.10 0.00 -0.26 0.00 0.00 58.87 58.63 2orb n SER 30 Cb 0.37 -0.08 0.15 0.00 -0.26 0.00 0.00 64.21 64.40 2orb n SER 30 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2orb n HIS 31 N -1.08 0.31 -4.09 7.33 8.25 0.99 -4.42 115.22 122.51 2orb n HIS 31 Ca 0.07 -0.18 -0.16 0.00 -0.26 0.00 0.00 57.72 57.19 2orb n HIS 31 Cb 0.05 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.01 2orb n HIS 31 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2orb s TYR 32 N -1.42 0.40 0.77 4.41 1.51 -0.82 -4.96 117.35 117.23 2orb s TYR 32 Ca 0.30 -0.07 -0.11 0.00 -1.01 0.00 0.00 57.07 56.18 2orb s TYR 32 Cb 0.19 -0.29 0.05 0.00 -0.11 0.00 0.00 41.96 41.80 2orb s TYR 32 CO 0.26 -0.03 1.08 0.20 -1.11 0.00 0.00 175.55 175.96 2orb s GLY 33 N 0.07 1.64 0.06 0.71 0.00 -1.26 -4.14 107.32 104.40 2orb s GLY 33 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.64 2orb s GLY 33 CO -0.00 0.30 -0.05 1.06 0.00 0.00 0.00 173.10 174.41 2orb s MET 34 N -5.10 0.64 0.11 2.90 1.00 -0.51 -2.07 119.30 116.27 2orb s MET 34 Ca 0.60 -1.11 -0.02 0.00 0.00 0.00 0.00 55.69 55.16 2orb s MET 34 Cb -0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 34.83 34.61 2orb s MET 34 CO 0.55 -0.04 0.06 -1.12 0.00 0.00 0.00 175.02 174.47 2orb s SER 35 N -2.56 0.32 -0.03 3.03 0.01 -0.31 -0.26 113.70 113.90 2orb s SER 35 Ca 0.03 -1.10 0.06 0.00 1.31 0.00 0.00 55.95 56.26 2orb s SER 35 Cb 0.02 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 2orb s SER 35 CO -0.05 -0.71 -0.22 0.26 0.41 0.00 0.00 173.24 172.92 2orb s TRP 36 N -4.00 2.02 0.03 2.43 0.52 0.35 -0.25 118.94 120.03 2orb s TRP 36 Ca 0.18 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.89 2orb s TRP 36 Cb 0.07 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 2orb s TRP 36 CO -0.02 -0.08 -0.08 0.08 0.02 0.00 0.00 176.95 176.87 2orb s VAL 37 N -0.40 0.63 0.19 4.03 1.01 0.68 -0.96 120.40 125.58 2orb s VAL 37 Ca 0.05 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.32 2orb s VAL 37 Cb -0.10 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2orb s VAL 37 CO 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 175.10 174.75 2orb s ARG 38 N -1.05 1.41 -0.21 2.72 1.70 0.24 0.08 118.95 123.83 2orb s ARG 38 Ca -0.04 -1.50 -0.02 0.00 -0.47 0.00 0.00 55.73 53.71 2orb s ARG 38 Cb -0.07 -1.55 0.06 0.00 -0.57 0.00 0.00 34.95 32.82 2orb s ARG 38 CO 0.00 0.32 0.01 -1.14 -1.08 0.00 0.00 175.30 173.41 2orb s GLN 39 N -2.87 0.97 0.78 3.89 0.74 0.31 0.14 119.66 123.61 2orb s GLN 39 Ca 0.19 -0.60 -0.11 0.00 0.05 0.00 0.00 55.36 54.89 2orb s GLN 39 Cb -0.06 -2.26 0.06 0.00 1.10 0.00 0.00 33.01 31.85 2orb s GLN 39 CO 0.09 -0.62 1.08 0.95 -0.55 0.00 0.00 175.29 176.24 2orb s THR 40 N 1.71 3.34 0.58 -0.34 -4.23 -0.94 -1.74 115.64 114.02 2orb s THR 40 Ca -0.02 0.44 0.31 0.00 -1.18 0.00 0.00 61.69 61.23 2orb s THR 40 Cb -0.18 -3.05 0.43 0.00 1.34 0.00 0.00 72.50 71.05 2orb s THR 40 CO -0.07 -0.57 1.78 1.55 -0.54 0.00 0.00 174.62 176.77 2orb h PRO 41 N -1.09 0.00 0.00 3.99 0.13 -1.91 0.60 132.00 133.72 2orb h PRO 41 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2orb h PRO 41 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2orb h PRO 41 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 2orb n ASP 42 N -3.78 0.00 0.00 1.44 5.68 -1.26 -4.82 116.55 113.81 2orb n ASP 42 Ca 0.15 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 2orb n ASP 42 Cb 0.96 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 2orb n ASP 42 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2orb n LYS 43 N -0.52 0.00 -2.62 0.11 4.76 0.21 -4.99 118.16 115.12 2orb n LYS 43 Ca 0.01 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 2orb n LYS 43 Cb 0.00 -3.68 -0.05 0.00 -1.84 0.00 0.00 35.03 29.47 2orb n LYS 43 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2orb s ARG 44 N -0.58 4.52 -0.10 1.97 3.00 -1.25 -4.82 118.95 121.70 2orb s ARG 44 Ca 0.00 1.54 -0.16 0.00 -1.00 0.00 0.00 55.73 56.12 2orb s ARG 44 Cb 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 34.95 32.00 2orb s ARG 44 CO 0.00 0.17 0.40 -0.51 0.00 0.00 0.00 175.30 175.36 2orb s LEU 45 N -1.93 4.33 -0.11 -0.88 1.43 -1.26 -2.22 118.68 118.05 2orb s LEU 45 Ca 0.49 0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2orb s LEU 45 Cb -0.25 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.45 2orb s LEU 45 CO 0.31 0.13 0.00 -0.70 0.23 0.00 0.00 176.35 176.32 2orb s GLU 46 N 0.05 0.71 0.31 1.70 2.12 0.12 -4.98 118.70 118.74 2orb s GLU 46 Ca 0.22 -0.07 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 2orb s GLU 46 Cb -0.15 -1.34 -0.12 0.00 0.26 0.00 0.00 34.13 32.79 2orb s GLU 46 CO 0.09 -0.39 1.57 1.87 -0.54 0.00 0.00 175.26 177.86 2orb n TRP 47 N 5.10 2.87 -0.02 5.30 -0.00 -1.26 -0.60 117.44 128.83 2orb n TRP 47 Ca -0.08 0.30 -0.02 0.00 -0.00 0.00 0.00 57.50 57.70 2orb n TRP 47 Cb 0.49 -2.58 -0.03 0.00 -0.00 0.00 0.00 31.31 29.19 2orb n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2orb n VAL 48 N 1.77 0.29 0.00 5.87 0.31 -0.13 -4.74 118.33 121.69 2orb n VAL 48 Ca 0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2orb n VAL 48 Cb 0.37 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2orb n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2orb n ALA 49 N -2.16 0.00 -2.77 3.52 0.00 -1.02 -4.27 120.51 113.81 2orb n ALA 49 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 2orb n ALA 49 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 2orb n ALA 49 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2orb s THR 50 N -2.00 0.11 0.01 0.00 -4.23 -1.15 -0.50 115.64 107.88 2orb s THR 50 Ca 0.00 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2orb s THR 50 Cb 0.00 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 2orb s THR 50 CO 0.00 -0.52 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.02 2orb s ILE 51 N -3.27 0.21 1.00 2.99 2.07 0.64 -2.84 121.20 122.00 2orb s ILE 51 Ca 0.00 -0.45 -0.12 0.00 -1.41 0.00 0.00 60.65 58.67 2orb s ILE 51 Cb 0.02 -0.24 0.19 0.00 0.13 0.00 0.00 42.46 42.56 2orb s ILE 51 CO -0.08 -0.16 1.08 -0.83 -1.91 0.00 0.00 174.94 173.04 2orb s GLY 52 N -0.65 1.61 0.29 1.50 0.00 -0.36 -1.43 107.32 108.29 2orb s GLY 52 Ca -0.05 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2orb s GLY 52 CO -0.00 0.64 1.81 1.48 0.00 0.00 0.00 173.10 177.03 2orb h SER 52 N -2.05 0.66 0.57 1.64 4.64 -1.87 -2.47 113.55 114.67 2orb h SER 52 Ca -0.52 -0.14 -0.29 0.00 -0.47 0.00 0.00 61.79 60.37 2orb h SER 52 Cb 1.30 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2orb h SER 52 CO 0.50 0.71 -1.42 0.03 -0.87 0.00 0.00 176.83 175.78 2orb h ARG 53 N 0.66 0.19 0.00 4.77 3.08 -1.89 -3.43 114.38 117.76 2orb h ARG 53 Ca 0.14 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2orb h ARG 53 Cb 0.38 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2orb h ARG 53 CO 0.01 1.06 0.00 0.41 -1.07 0.00 0.00 179.97 180.38 2orb n GLY 54 N 1.59 1.06 0.00 0.04 0.00 -0.93 -4.97 105.19 101.98 2orb n GLY 54 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2orb n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2orb n THR 55 N -1.79 0.83 -3.51 2.61 -2.24 -1.26 -4.77 114.28 104.15 2orb n THR 55 Ca 0.00 0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.85 2orb n THR 55 Cb 0.00 -0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 67.20 2orb n THR 55 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2orb s TYR 56 N -2.72 -0.50 -0.28 4.78 -0.85 -1.26 -5.02 117.35 111.50 2orb s TYR 56 Ca 0.10 0.51 -0.20 0.00 -0.52 0.00 0.00 57.07 56.95 2orb s TYR 56 Cb 0.08 0.44 0.08 0.00 0.38 0.00 0.00 41.96 42.95 2orb s TYR 56 CO 0.21 -0.72 0.76 0.95 -1.52 0.00 0.00 175.55 175.22 2orb s THR 57 N -2.80 0.00 0.12 -3.49 -4.23 -1.26 -1.22 115.64 102.76 2orb s THR 57 Ca -0.03 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 2orb s THR 57 Cb -0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 2orb s THR 57 CO -0.05 0.00 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.75 2orb s HIS 58 N 0.97 0.94 0.16 3.99 2.46 -1.13 -5.02 115.29 117.66 2orb s HIS 58 Ca -0.05 -1.05 -0.01 0.00 0.47 0.00 0.00 55.06 54.43 2orb s HIS 58 Cb -0.05 -0.55 -0.04 0.00 -0.13 0.00 0.00 32.58 31.81 2orb s HIS 58 CO -0.10 -0.29 0.09 0.71 -2.47 0.00 0.00 174.74 172.68 2orb s TYR 59 N -3.77 0.99 0.52 3.88 1.51 -1.26 -2.95 117.35 116.25 2orb s TYR 59 Ca 0.18 -1.29 -0.07 0.00 -1.01 0.00 0.00 57.07 54.88 2orb s TYR 59 Cb 0.06 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 2orb s TYR 59 CO -0.01 -0.57 0.86 -1.25 -1.11 0.00 0.00 175.55 173.46 2orb s PRO 60 N -4.10 3.56 0.44 -1.71 0.04 -1.26 -4.84 135.00 127.13 2orb s PRO 60 Ca 0.30 0.36 0.16 0.00 0.04 0.00 0.00 61.00 61.87 2orb s PRO 60 Cb 0.07 -2.29 1.08 0.00 0.04 0.00 0.00 34.50 33.40 2orb s PRO 60 CO 0.06 -0.31 1.93 -0.44 0.04 0.00 0.00 177.00 178.29 2orb h ASP 61 N 0.09 0.35 -0.43 6.66 3.32 -1.98 -1.39 116.42 123.05 2orb h ASP 61 Ca -0.46 0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.73 2orb h ASP 61 Cb 1.20 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2orb h ASP 61 CO 0.62 0.19 0.31 0.77 -1.72 0.00 0.00 179.24 179.41 2orb h SER 62 N 0.38 0.00 0.00 6.45 4.64 -1.98 -3.12 113.55 119.92 2orb h SER 62 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2orb h SER 62 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2orb h SER 62 CO -0.10 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.19 2orb n VAL 63 N -4.37 0.00 -1.66 0.95 0.24 -0.95 -5.00 118.33 107.55 2orb n VAL 63 Ca 0.07 -0.37 -0.51 0.00 -2.04 0.00 0.00 64.34 61.50 2orb n VAL 63 Cb 0.51 1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 2orb n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2orb n LYS 64 N -0.47 1.64 0.00 7.34 4.81 -0.57 -0.73 118.16 130.18 2orb n LYS 64 Ca 0.00 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2orb n LYS 64 Cb 0.02 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 32.75 2orb n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2orb n GLY 65 N 3.52 2.62 0.06 3.14 0.00 -1.26 -4.83 105.19 108.44 2orb n GLY 65 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 2orb n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2orb n ARG 66 N -2.00 1.51 -4.23 1.61 1.74 0.09 -5.02 116.66 110.36 2orb n ARG 66 Ca 0.00 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 2orb n ARG 66 Cb 0.00 -1.27 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 2orb n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2orb s PHE 67 N -2.26 3.12 -0.05 -1.55 0.40 -0.92 -1.37 117.98 115.35 2orb s PHE 67 Ca -0.10 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.33 2orb s PHE 67 Cb 0.04 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.91 2orb s PHE 67 CO 0.38 0.48 -0.01 0.99 0.70 0.00 0.00 175.22 177.77 2orb s THR 68 N -1.12 0.31 -0.10 0.64 2.01 -0.07 -4.88 115.64 112.43 2orb s THR 68 Ca 0.20 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 2orb s THR 68 Cb -0.12 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 2orb s THR 68 CO 0.11 0.20 0.33 -0.63 -0.69 0.00 0.00 174.62 173.94 2orb s ILE 69 N 1.32 5.23 0.10 1.82 1.01 -1.26 -1.28 121.20 128.14 2orb s ILE 69 Ca -0.05 0.64 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 2orb s ILE 69 Cb -0.13 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2orb s ILE 69 CO -0.02 0.46 0.03 -0.94 0.00 0.00 0.00 174.94 174.47 2orb s SER 70 N -0.14 0.37 -0.05 3.58 1.04 -1.03 -4.98 113.70 112.49 2orb s SER 70 Ca 0.20 -1.14 -0.18 0.00 0.48 0.00 0.00 55.95 55.31 2orb s SER 70 Cb -0.14 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.28 2orb s SER 70 CO 0.07 -0.68 0.40 0.00 0.98 0.00 0.00 173.24 174.01 2orb s ARG 71 N -4.00 0.71 -0.40 4.02 1.70 -1.26 0.88 118.95 120.60 2orb s ARG 71 Ca 0.18 0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.49 2orb s ARG 71 Cb 0.08 0.33 0.12 0.00 -0.57 0.00 0.00 34.95 34.90 2orb s ARG 71 CO -0.02 -0.19 0.18 0.34 -1.08 0.00 0.00 175.30 174.53 2orb s ASP 72 N -1.04 4.00 0.62 -2.89 3.68 0.21 -4.96 116.67 116.29 2orb s ASP 72 Ca -0.11 -2.36 0.38 0.00 2.13 0.00 0.00 52.55 52.59 2orb s ASP 72 Cb -0.04 -1.16 2.07 0.00 -1.45 0.00 0.00 42.92 42.34 2orb s ASP 72 CO 0.05 -0.32 2.28 0.78 0.13 0.00 0.00 175.17 178.09 2orb h ASN 73 N 7.17 0.00 0.36 -0.34 2.35 -1.96 0.22 115.58 123.39 2orb h ASN 73 Ca -0.06 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 2orb h ASN 73 Cb 0.96 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2orb h ASN 73 CO 0.51 0.01 -0.56 0.44 -1.65 0.00 0.00 177.43 176.19 2orb h ASP 74 N 0.00 0.23 -0.28 5.81 5.19 -1.95 -3.11 116.42 122.30 2orb h ASP 74 Ca -0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2orb h ASP 74 Cb 0.08 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2orb h ASP 74 CO 0.00 0.74 0.00 0.29 -3.12 0.00 0.00 179.24 177.15 2orb n LYS 75 N -3.90 2.87 -3.93 3.56 5.02 -0.36 -5.00 118.16 116.42 2orb n LYS 75 Ca -0.02 -2.05 -0.30 0.00 -2.02 0.00 0.00 58.31 53.91 2orb n LYS 75 Cb 0.58 -1.29 -0.01 0.00 -0.02 0.00 0.00 35.03 34.30 2orb n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2orb n ASN 76 N 0.23 -2.04 -4.14 4.39 5.03 0.65 -4.86 115.26 114.53 2orb n ASN 76 Ca 0.11 -1.08 -0.19 0.00 0.87 0.00 0.00 54.58 54.29 2orb n ASN 76 Cb 0.45 -2.81 -0.13 0.00 -1.02 0.00 0.00 39.78 36.27 2orb n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2orb s ALA 77 N -3.81 1.10 -0.01 5.41 0.00 -0.89 -1.37 121.76 122.18 2orb s ALA 77 Ca 0.20 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.37 2orb s ALA 77 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2orb s ALA 77 CO 0.90 0.18 -0.23 -1.17 0.00 0.00 0.00 175.76 175.44 2orb s LEU 78 N -1.36 2.24 0.28 0.00 2.96 0.08 -0.61 118.68 122.26 2orb s LEU 78 Ca -0.01 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 2orb s LEU 78 Cb -0.09 -1.38 -0.06 0.00 0.50 0.00 0.00 46.19 45.16 2orb s LEU 78 CO 0.01 0.31 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.00 2orb s TYR 79 N -0.69 1.90 -0.30 5.38 1.51 0.26 -0.76 117.35 124.65 2orb s TYR 79 Ca 0.11 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.44 2orb s TYR 79 Cb -0.10 -1.10 0.16 0.00 -0.11 0.00 0.00 41.96 40.80 2orb s TYR 79 CO 0.00 0.22 0.40 -1.17 -1.11 0.00 0.00 175.55 173.89 2orb s LEU 80 N -3.43 -0.70 -0.19 -1.29 1.98 -0.47 -2.47 118.68 112.11 2orb s LEU 80 Ca 0.30 -0.50 -0.22 0.00 -2.89 0.00 0.00 54.13 50.82 2orb s LEU 80 Cb 0.04 1.02 -0.02 0.00 0.66 0.00 0.00 46.19 47.90 2orb s LEU 80 CO 0.12 -0.35 0.68 -1.10 -1.89 0.00 0.00 176.35 173.81 2orb s GLN 81 N 2.46 4.23 -0.13 1.98 -1.52 -0.41 -1.62 119.66 124.65 2orb s GLN 81 Ca 0.10 0.72 -0.00 0.00 -1.95 0.00 0.00 55.36 54.23 2orb s GLN 81 Cb -0.13 -3.58 -0.01 0.00 -0.22 0.00 0.00 33.01 29.07 2orb s GLN 81 CO -0.29 -0.28 -0.13 -1.64 -0.25 0.00 0.00 175.29 172.70 2orb s MET 82 N 2.02 3.36 0.18 2.91 -1.94 -0.04 -0.89 119.30 124.90 2orb s MET 82 Ca 0.31 -0.69 0.05 0.00 -1.71 0.00 0.00 55.69 53.65 2orb s MET 82 Cb -0.16 -2.63 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 2orb s MET 82 CO 0.11 0.19 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.41 2orb s ASN 82 N 0.41 2.02 -1.43 3.03 0.01 -0.47 -0.81 114.94 117.69 2orb s ASN 82 Ca -0.10 -1.05 -0.08 0.00 -0.71 0.00 0.00 52.86 50.91 2orb s ASN 82 Cb -0.16 -0.04 0.05 0.00 0.41 0.00 0.00 41.25 41.51 2orb s ASN 82 CO 0.05 -0.32 0.90 -1.20 -1.51 0.00 0.00 177.10 175.02 2orb n SER 82 N -0.29 -3.59 -4.75 -1.22 7.64 -1.14 -4.67 113.62 105.60 2orb n SER 82 Ca -0.09 -0.77 -0.38 0.00 1.01 0.00 0.00 58.87 58.64 2orb n SER 82 Cb 0.61 -4.07 0.05 0.00 -1.01 0.00 0.00 64.21 59.79 2orb n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2orb s LEU 82 N -7.05 3.79 0.19 -3.43 1.43 -0.93 -4.62 118.68 108.05 2orb s LEU 82 Ca 0.41 2.72 0.08 0.00 -1.03 0.00 0.00 54.13 56.30 2orb s LEU 82 Cb -0.20 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 2orb s LEU 82 CO 0.81 -1.66 -0.15 -0.54 0.23 0.00 0.00 176.35 175.04 2orb s LYS 83 N -3.02 1.28 0.47 1.70 1.02 -1.26 0.37 119.74 120.30 2orb s LYS 83 Ca 0.74 -1.51 0.21 0.00 0.02 0.00 0.00 55.97 55.43 2orb s LYS 83 Cb -0.39 -1.15 1.22 0.00 -0.52 0.00 0.00 37.83 36.99 2orb s LYS 83 CO 0.45 0.21 1.93 0.77 -0.92 0.00 0.00 175.35 177.79 2orb h SER 84 N 2.83 0.22 0.38 2.83 0.02 -1.97 0.41 113.55 118.26 2orb h SER 84 Ca -0.39 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2orb h SER 84 Cb 1.21 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2orb h SER 84 CO 0.58 0.11 0.00 -0.08 -1.14 0.00 0.00 176.83 176.30 2orb h GLU 85 N 0.23 0.00 -0.01 3.45 4.81 -1.95 -2.60 114.58 118.51 2orb h GLU 85 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2orb h GLU 85 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2orb h GLU 85 CO -0.08 0.00 -0.16 -0.25 -0.73 0.00 0.00 179.01 177.79 2orb n ASP 86 N -2.58 0.82 -4.69 1.04 8.00 0.14 -4.86 116.55 114.42 2orb n ASP 86 Ca -0.00 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 2orb n ASP 86 Cb 0.14 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 2orb n ASP 86 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2orb s THR 87 N -2.43 3.17 0.01 -3.53 -4.23 -0.98 -4.88 115.64 102.76 2orb s THR 87 Ca 0.28 0.61 -0.28 0.00 -1.18 0.00 0.00 61.69 61.11 2orb s THR 87 Cb 0.20 -3.39 0.10 0.00 1.34 0.00 0.00 72.50 70.75 2orb s THR 87 CO 0.48 -0.00 1.25 0.00 -0.54 0.00 0.00 174.62 175.81 2orb s ALA 88 N 2.59 -2.30 -0.22 3.99 0.00 -0.37 -4.53 121.76 120.92 2orb s ALA 88 Ca 0.72 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 2orb s ALA 88 Cb -0.38 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2orb s ALA 88 CO 0.31 -1.12 0.37 -1.64 0.00 0.00 0.00 175.76 173.68 2orb s MET 89 N -2.15 4.12 -0.16 0.00 -1.94 -0.71 -1.39 119.30 117.08 2orb s MET 89 Ca 0.25 0.11 -0.06 0.00 -1.71 0.00 0.00 55.69 54.27 2orb s MET 89 Cb 0.01 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 2orb s MET 89 CO -0.01 -0.09 0.06 0.71 -0.01 0.00 0.00 175.02 175.68 2orb s TYR 90 N 1.49 3.29 0.02 -0.03 1.51 0.13 -0.53 117.35 123.22 2orb s TYR 90 Ca 0.17 0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.47 2orb s TYR 90 Cb -0.15 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2orb s TYR 90 CO 0.08 0.30 -0.21 0.71 -1.11 0.00 0.00 175.55 175.32 2orb s TYR 91 N -0.07 1.87 0.11 2.71 1.51 0.11 0.54 117.35 124.14 2orb s TYR 91 Ca 0.07 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2orb s TYR 91 Cb -0.12 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 2orb s TYR 91 CO 0.01 0.04 0.18 0.00 -1.11 0.00 0.00 175.55 174.68 2orb s ALA 93 N -1.59 -0.50 0.02 0.00 0.00 0.66 0.12 121.76 120.46 2orb s ALA 93 Ca 0.33 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2orb s ALA 93 Cb -0.12 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 2orb s ALA 93 CO 0.26 -0.23 0.32 0.50 0.00 0.00 0.00 175.76 176.61 2orb s ARG 94 N -1.37 3.67 -0.17 0.00 3.52 0.14 -1.17 118.95 123.58 2orb s ARG 94 Ca -0.14 0.06 -0.09 0.00 -0.13 0.00 0.00 55.73 55.43 2orb s ARG 94 Cb -0.07 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.20 2orb s ARG 94 CO 0.03 0.63 0.13 0.50 -0.81 0.00 0.00 175.30 175.78 2orb s ARG 95 N -1.68 3.89 0.47 5.12 3.52 -0.88 -2.25 118.95 127.15 2orb s ARG 95 Ca 0.28 -0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 2orb s ARG 95 Cb -0.14 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2orb s ARG 95 CO 0.16 0.49 0.62 -1.12 -0.81 0.00 0.00 175.30 174.63 2orb s SER 96 N -0.19 5.41 0.00 -2.12 0.01 0.28 -4.23 113.70 112.87 2orb s SER 96 Ca 0.11 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2orb s SER 96 Cb -0.11 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.79 2orb s SER 96 CO 0.00 -0.94 0.00 -0.62 0.41 0.00 0.00 173.24 172.09 2orb n GLU 97 N -1.94 0.00 0.00 12.44 1.02 -1.26 -3.59 120.64 127.30 2orb n GLU 97 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2orb n GLU 97 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2orb n GLU 97 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2orb n TYR 100 N 6.38 0.00 -3.63 -0.32 9.36 -1.26 -5.04 117.16 122.65 2orb n TYR 100 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 2orb n TYR 100 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 2orb n TYR 100 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2orb s SER 100 N 0.00 -0.92 0.03 2.98 0.01 -1.24 -5.18 113.70 109.38 2orb s SER 100 Ca 0.00 1.39 -0.15 0.00 1.31 0.00 0.00 55.95 58.51 2orb s SER 100 Cb 0.00 1.61 0.02 0.00 0.21 0.00 0.00 66.02 67.86 2orb s SER 100 CO 0.00 -0.21 0.32 0.00 0.41 0.00 0.00 173.24 173.76 2orb s ALA 100 N 1.96 -0.75 -1.06 1.44 0.00 -1.24 -4.83 121.76 117.27 2orb s ALA 100 Ca -0.08 0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 2orb s ALA 100 Cb -0.07 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 2orb s ALA 100 CO -0.19 -0.37 1.78 -1.64 0.00 0.00 0.00 175.76 175.34 2orb s MET 100 N -2.18 3.04 0.18 0.00 -1.94 -1.25 -0.55 119.30 116.60 2orb s MET 100 Ca -0.08 -0.99 0.18 0.00 -1.71 0.00 0.00 55.69 53.10 2orb s MET 100 Cb -0.02 -5.26 -0.02 0.00 2.01 0.00 0.00 34.83 31.54 2orb s MET 100 CO -0.01 -3.03 1.09 0.38 -0.01 0.00 0.00 175.02 173.43 2orb h ASP 101 N 9.93 0.00 -3.66 3.03 2.03 -1.82 -3.46 116.42 122.46 2orb h ASP 101 Ca 0.21 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 56.05 2orb h ASP 101 Cb 0.97 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.15 2orb h ASP 101 CO 1.31 0.37 -0.80 -0.31 -1.03 0.00 0.00 179.24 178.79 2orb s TYR 102 N -3.06 1.10 0.24 4.15 4.12 -1.25 -4.99 117.35 117.65 2orb s TYR 102 Ca 0.00 -0.32 0.11 0.00 0.02 0.00 0.00 57.07 56.88 2orb s TYR 102 Cb 0.08 -0.81 -0.05 0.00 -1.52 0.00 0.00 41.96 39.67 2orb s TYR 102 CO 0.78 -0.16 -0.21 -1.58 0.02 0.00 0.00 175.55 174.40 2orb s TRP 103 N 0.42 2.21 0.83 2.71 0.52 -1.26 0.26 118.94 124.63 2orb s TRP 103 Ca -0.07 -0.37 -0.10 0.00 0.02 0.00 0.00 56.10 55.57 2orb s TRP 103 Cb -0.12 -1.01 0.13 0.00 -1.15 0.00 0.00 33.47 31.32 2orb s TRP 103 CO 0.01 0.59 1.17 0.20 0.02 0.00 0.00 176.95 178.94 2orb s GLY 104 N -3.17 1.72 0.12 0.98 0.00 0.12 -4.57 107.32 102.53 2orb s GLY 104 Ca 0.25 -1.13 0.24 0.00 0.00 0.00 0.00 44.72 44.08 2orb s GLY 104 CO 0.12 -0.53 1.73 0.61 0.00 0.00 0.00 173.10 175.03 2orb n GLN 105 N -3.32 0.12 0.00 2.90 0.00 -1.23 -4.73 117.38 111.11 2orb n GLN 105 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 57.00 57.34 2orb n GLN 105 Cb 0.60 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.17 2orb n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2orb n GLY 106 N 0.75 0.38 3.37 2.61 0.00 -1.26 -5.04 105.19 106.01 2orb n GLY 106 Ca 0.05 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 2orb n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2orb s ALA 107 N -1.03 2.45 -0.13 4.61 0.00 0.19 -4.89 121.76 122.95 2orb s ALA 107 Ca 0.00 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 2orb s ALA 107 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2orb s ALA 107 CO 0.00 0.44 0.53 0.45 0.00 0.00 0.00 175.76 177.18 2orb s SER 108 N -0.28 6.72 -0.10 0.00 0.15 -1.26 0.17 113.70 119.09 2orb s SER 108 Ca 0.01 0.87 0.02 0.00 0.70 0.00 0.00 55.95 57.54 2orb s SER 108 Cb -0.13 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2orb s SER 108 CO 0.03 -0.06 -0.15 -0.69 1.20 0.00 0.00 173.24 173.56 2orb s VAL 109 N 0.88 1.47 -0.14 4.45 1.01 -0.49 -0.54 120.40 127.05 2orb s VAL 109 Ca 0.28 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2orb s VAL 109 Cb -0.16 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2orb s VAL 109 CO 0.12 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.60 2orb s THR 110 N 0.95 1.67 -0.38 3.92 2.01 -0.64 -1.24 115.64 121.94 2orb s THR 110 Ca -0.08 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 2orb s THR 110 Cb -0.15 -1.54 0.04 0.00 0.01 0.00 0.00 72.50 70.86 2orb s THR 110 CO -0.01 0.48 0.20 -0.69 -0.69 0.00 0.00 174.62 173.91 2orb s VAL 111 N 1.28 4.42 0.14 3.82 1.01 -1.26 -0.65 120.40 129.17 2orb s VAL 111 Ca 0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 2orb s VAL 111 Cb -0.14 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.79 2orb s VAL 111 CO -0.08 -0.28 0.58 -0.55 0.00 0.00 0.00 175.10 174.76 2orb s SER 112 N 1.64 -0.53 0.21 3.32 0.15 -0.93 -4.47 113.70 113.09 2orb s SER 112 Ca 0.02 -0.00 0.24 0.00 0.70 0.00 0.00 55.95 56.91 2orb s SER 112 Cb -0.20 0.58 0.42 0.00 -1.71 0.00 0.00 66.02 65.11 2orb s SER 112 CO 0.05 -0.94 1.45 0.77 1.20 0.00 0.00 173.24 175.78 2orb h SER 113 N 2.10 0.00 -4.00 5.45 4.64 -1.97 -3.37 113.55 116.40 2orb h SER 113 Ca -0.34 -0.08 -0.54 0.00 -0.47 0.00 0.00 61.79 60.36 2orb h SER 113 Cb 1.29 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.50 2orb h SER 113 CO 0.39 0.04 0.67 0.00 -0.87 0.00 0.00 176.83 177.07 2orb s ALA 114 N -3.19 3.15 0.48 5.18 0.00 -1.26 -5.00 121.76 121.12 2orb s ALA 114 Ca 0.06 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.46 2orb s ALA 114 Cb 0.11 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2orb s ALA 114 CO 0.69 -1.20 0.69 0.15 0.00 0.00 0.00 175.76 176.09 2orb s LYS 115 N -2.54 2.82 0.24 0.00 3.01 -1.26 -5.02 119.74 117.00 2orb s LYS 115 Ca 0.63 -0.73 -0.30 0.00 -1.01 0.00 0.00 55.97 54.55 2orb s LYS 115 Cb -0.42 -2.57 -0.10 0.00 -1.01 0.00 0.00 37.83 33.72 2orb s LYS 115 CO 0.54 -0.43 1.48 0.99 0.51 0.00 0.00 175.35 178.44 2orb s THR 116 N -2.59 2.59 -0.16 2.17 2.01 -1.26 -4.77 115.64 113.64 2orb s THR 116 Ca 0.52 0.48 -0.02 0.00 0.31 0.00 0.00 61.69 62.99 2orb s THR 116 Cb -0.10 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.15 2orb s THR 116 CO 0.37 0.07 0.01 -0.89 -0.69 0.00 0.00 174.62 173.49 2orb s THR 117 N 0.20 0.63 0.74 -0.82 2.01 0.18 -4.95 115.64 113.64 2orb s THR 117 Ca 0.62 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2orb s THR 117 Cb -0.43 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 71.16 2orb s THR 117 CO 0.42 -0.01 1.12 -2.16 -0.69 0.00 0.00 174.62 173.30 2orb s PRO 118 N 1.83 2.26 0.68 4.92 0.04 -1.26 -0.08 135.00 143.39 2orb s PRO 118 Ca 0.01 1.40 -0.07 0.00 0.04 0.00 0.00 61.00 62.37 2orb s PRO 118 Cb -0.15 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.55 2orb s PRO 118 CO -0.07 -1.67 1.01 -1.25 0.04 0.00 0.00 177.00 175.05 2orb s PRO 119 N -4.42 2.46 -0.15 0.56 0.04 -1.26 -4.51 135.00 127.72 2orb s PRO 119 Ca 0.66 -0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 2orb s PRO 119 Cb -0.21 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2orb s PRO 119 CO 0.49 -1.09 -0.05 -1.12 0.04 0.00 0.00 177.00 175.27 2orb s SER 120 N -4.44 4.69 -0.20 6.66 0.01 -0.42 -4.96 113.70 115.03 2orb s SER 120 Ca 0.58 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.69 2orb s SER 120 Cb -0.11 -1.75 0.02 0.00 0.21 0.00 0.00 66.02 64.39 2orb s SER 120 CO 0.46 0.17 -0.15 -0.69 0.41 0.00 0.00 173.24 173.45 2orb s VAL 121 N 0.34 2.42 -0.06 3.43 1.01 -1.26 -1.18 120.40 125.10 2orb s VAL 121 Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2orb s VAL 121 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2orb s VAL 121 CO 0.03 0.45 -0.14 -0.31 0.00 0.00 0.00 175.10 175.13 2orb s TYR 122 N 1.32 2.71 0.31 5.22 2.02 -0.30 -4.98 117.35 123.65 2orb s TYR 122 Ca 0.04 -0.19 -0.27 0.00 -0.37 0.00 0.00 57.07 56.28 2orb s TYR 122 Cb -0.14 -1.65 -0.10 0.00 -0.40 0.00 0.00 41.96 39.68 2orb s TYR 122 CO -0.10 0.16 0.95 -1.25 -1.57 0.00 0.00 175.55 173.74 2orb s PRO 123 N -0.65 4.63 -0.37 -1.71 0.04 -1.26 -1.09 135.00 134.58 2orb s PRO 123 Ca 0.10 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.45 2orb s PRO 123 Cb -0.11 -2.88 0.08 0.00 0.04 0.00 0.00 34.50 31.63 2orb s PRO 123 CO 0.01 0.31 0.15 -0.51 0.04 0.00 0.00 177.00 177.01 2orb s LEU 124 N -1.91 4.75 -0.08 -3.56 1.02 0.15 -4.88 118.68 114.17 2orb s LEU 124 Ca 0.49 -1.56 0.01 0.00 0.02 0.00 0.00 54.13 53.09 2orb s LEU 124 Cb -0.20 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 2orb s LEU 124 CO 0.25 -0.44 -0.11 0.00 0.02 0.00 0.00 176.35 176.08 2orb s ALA 125 N 1.29 2.80 0.00 4.21 0.00 -1.26 -2.36 121.76 126.43 2orb s ALA 125 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2orb s ALA 125 Cb -0.22 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.75 2orb s ALA 125 CO -0.01 0.48 0.00 -0.35 0.00 0.00 0.00 175.76 175.88 2orb n PRO 126 N 2.60 0.00 0.00 0.00 -0.04 -1.26 -4.95 135.00 131.35 2orb n PRO 126 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2orb n PRO 126 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2orb n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2orb n SER 134 N 0.00 0.00 -4.31 3.54 2.88 -1.26 -4.71 113.62 109.76 2orb n SER 134 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 2orb n SER 134 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2orb n SER 134 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2orb s MET 135 N 0.00 1.57 0.01 -1.46 1.00 -1.26 -2.50 119.30 116.66 2orb s MET 135 Ca 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 55.69 53.83 2orb s MET 135 Cb 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 34.83 34.32 2orb s MET 135 CO 0.00 -0.29 -0.05 0.54 0.00 0.00 0.00 175.02 175.22 2orb s VAL 136 N -3.52 0.34 -0.16 -6.03 0.11 0.35 -4.73 120.40 106.77 2orb s VAL 136 Ca 0.36 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2orb s VAL 136 Cb 0.07 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2orb s VAL 136 CO 0.15 -0.12 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.79 2orb s THR 137 N -0.62 3.01 0.44 5.04 2.01 -1.26 0.23 115.64 124.49 2orb s THR 137 Ca -0.04 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.37 2orb s THR 137 Cb -0.05 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2orb s THR 137 CO -0.00 0.50 0.07 -0.76 -0.69 0.00 0.00 174.62 173.74 2orb s LEU 138 N 0.78 2.80 0.25 4.42 1.43 0.20 -4.68 118.68 123.88 2orb s LEU 138 Ca -0.04 -1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 51.49 2orb s LEU 138 Cb -0.15 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.10 2orb s LEU 138 CO 0.01 -0.60 0.86 -0.83 0.23 0.00 0.00 176.35 176.02 2orb s GLY 139 N -3.83 -0.02 -0.02 -3.19 0.00 -1.00 -1.19 107.32 98.07 2orb s GLY 139 Ca 0.30 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.79 2orb s GLY 139 CO 0.16 0.24 -0.07 0.00 0.00 0.00 0.00 173.10 173.43 2orb s LEU 141 N 0.20 3.57 -0.50 0.00 0.20 -0.25 -1.05 118.68 120.85 2orb s LEU 141 Ca -0.03 -0.42 -0.08 0.00 0.69 0.00 0.00 54.13 54.30 2orb s LEU 141 Cb -0.07 -1.90 0.13 0.00 -0.43 0.00 0.00 46.19 43.92 2orb s LEU 141 CO 0.00 -0.10 0.36 -0.69 -0.29 0.00 0.00 176.35 175.63 2orb s VAL 142 N 1.56 4.06 -0.00 1.68 1.01 0.38 -1.16 120.40 127.94 2orb s VAL 142 Ca 0.05 -2.01 0.04 0.00 0.00 0.00 0.00 61.98 60.06 2orb s VAL 142 Cb -0.16 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2orb s VAL 142 CO 0.03 -0.79 -0.12 -0.75 0.00 0.00 0.00 175.10 173.47 2orb s LYS 143 N 1.09 2.41 -0.93 2.72 2.20 -0.33 -0.92 119.74 125.98 2orb s LYS 143 Ca 0.08 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 54.87 2orb s LYS 143 Cb -0.24 -2.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.65 2orb s LYS 143 CO -0.02 0.59 0.83 0.41 -0.36 0.00 0.00 175.35 176.80 2orb n GLY 144 N 1.75 -1.13 3.48 5.54 0.00 -0.70 -1.30 105.19 112.83 2orb n GLY 144 Ca -0.16 0.53 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 2orb n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2orb s TYR 145 N -3.27 2.08 -0.29 1.61 -0.85 -0.22 -4.40 117.35 112.00 2orb s TYR 145 Ca 0.32 -0.88 -0.20 0.00 -0.52 0.00 0.00 57.07 55.79 2orb s TYR 145 Cb -0.04 -1.38 0.16 0.00 0.38 0.00 0.00 41.96 41.08 2orb s TYR 145 CO 0.72 0.12 1.12 0.12 -1.52 0.00 0.00 175.55 176.11 2orb s PHE 146 N -3.16 -0.37 0.00 -3.49 5.36 0.89 -1.13 117.98 116.08 2orb s PHE 146 Ca 0.36 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 2orb s PHE 146 Cb 0.09 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 2orb s PHE 146 CO 0.16 -0.18 0.00 -0.35 -1.46 0.00 0.00 175.22 173.39 2orb n PRO 147 N 2.77 1.10 -1.89 10.12 -0.04 -1.26 0.51 135.00 146.30 2orb n PRO 147 Ca -0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 2orb n PRO 147 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 2orb n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2orb s GLU 148 N -1.38 3.37 0.17 0.54 2.02 -1.26 -4.76 118.70 117.40 2orb s GLU 148 Ca 0.00 0.95 0.01 0.00 0.02 0.00 0.00 54.97 55.95 2orb s GLU 148 Cb 0.00 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.19 2orb s GLU 148 CO 0.00 -0.76 0.07 -0.35 0.02 0.00 0.00 175.26 174.25 2orb n PRO 149 N -2.53 1.39 -4.18 0.39 -0.04 -1.26 -4.98 135.00 123.80 2orb n PRO 149 Ca 0.07 -1.13 -0.11 0.00 -0.04 0.00 0.00 63.50 62.28 2orb n PRO 149 Cb 0.54 0.20 -0.10 0.00 -0.04 0.00 0.00 33.50 34.10 2orb n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2orb s VAL 150 N -1.17 0.78 0.09 0.52 -7.23 -1.26 -4.49 120.40 107.64 2orb s VAL 150 Ca 0.06 -1.91 0.08 0.00 -1.81 0.00 0.00 61.98 58.39 2orb s VAL 150 Cb -0.00 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 2orb s VAL 150 CO 0.04 -0.82 -0.20 0.42 -0.31 0.00 0.00 175.10 174.23 2orb s THR 151 N -3.43 1.62 0.02 5.32 -4.23 -0.92 -4.99 115.64 109.03 2orb s THR 151 Ca 0.11 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 2orb s THR 151 Cb 0.04 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 2orb s THR 151 CO -0.03 -0.06 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.14 2orb s VAL 152 N -1.14 1.29 0.01 2.29 1.01 -1.26 -2.20 120.40 120.41 2orb s VAL 152 Ca 0.05 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2orb s VAL 152 Cb -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2orb s VAL 152 CO 0.04 0.20 -0.01 -0.89 0.00 0.00 0.00 175.10 174.44 2orb s THR 153 N -0.62 0.09 -0.22 3.92 2.01 0.07 -4.94 115.64 115.95 2orb s THR 153 Ca 0.05 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 2orb s THR 153 Cb -0.07 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.22 2orb s THR 153 CO 0.01 -0.40 -0.07 0.26 -0.69 0.00 0.00 174.62 173.73 2orb s TRP 154 N -1.17 2.94 -1.10 4.92 0.52 -1.26 0.27 118.94 124.07 2orb s TRP 154 Ca -0.13 -1.14 -0.01 0.00 0.02 0.00 0.00 56.10 54.84 2orb s TRP 154 Cb -0.08 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.16 2orb s TRP 154 CO -0.01 -0.62 0.92 0.09 0.02 0.00 0.00 176.95 177.36 2orb n ASN 155 N 4.75 -2.79 -0.18 2.95 4.13 0.23 -1.99 115.26 122.36 2orb n ASN 155 Ca -0.18 -0.59 -0.02 0.00 1.68 0.00 0.00 54.58 55.46 2orb n ASN 155 Cb 0.50 -4.84 -0.01 0.00 -1.54 0.00 0.00 39.78 33.89 2orb n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2orb n SER 156 N -3.01 -5.30 0.00 6.41 7.64 -1.26 -0.78 113.62 117.32 2orb n SER 156 Ca -0.24 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2orb n SER 156 Cb 0.65 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.53 2orb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2orb n GLY 157 N 0.74 0.81 0.29 0.23 0.00 -1.05 -4.98 105.19 101.24 2orb n GLY 157 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2orb n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2orb h SER 158 N 0.00 -0.57 -2.87 1.61 0.02 -0.93 -3.35 113.55 107.46 2orb h SER 158 Ca 0.00 0.02 -0.55 0.00 -0.84 0.00 0.00 61.79 60.42 2orb h SER 158 Cb 0.00 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2orb h SER 158 CO 0.00 -0.41 1.12 -0.76 -1.14 0.00 0.00 176.83 175.65 2orb s LEU 159 N -10.09 3.45 -0.02 5.07 2.01 -0.84 -4.75 118.68 113.51 2orb s LEU 159 Ca -0.16 0.49 0.03 0.00 0.01 0.00 0.00 54.13 54.50 2orb s LEU 159 Cb 0.04 -3.17 -0.05 0.00 0.01 0.00 0.00 46.19 43.02 2orb s LEU 159 CO 0.63 -1.69 0.05 -1.54 1.01 0.00 0.00 176.35 174.81 2orb n SER 160 N 9.66 4.23 -4.81 2.29 3.41 -1.26 -4.20 113.62 122.95 2orb n SER 160 Ca 0.15 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.51 2orb n SER 160 Cb 0.49 0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 65.30 2orb n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2orb s SER 161 N -2.81 5.53 -0.25 4.04 1.04 -1.26 -4.43 113.70 115.55 2orb s SER 161 Ca -0.01 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2orb s SER 161 Cb 0.02 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.70 2orb s SER 161 CO 0.13 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2orb n GLY 162 N -0.58 0.57 3.77 7.32 0.00 -1.26 -4.73 105.19 110.28 2orb n GLY 162 Ca -0.08 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2orb n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2orb s VAL 163 N -2.07 4.67 -0.15 1.61 1.01 -1.26 -0.74 120.40 123.46 2orb s VAL 163 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 2orb s VAL 163 Cb 0.00 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.33 2orb s VAL 163 CO 0.00 0.40 0.08 -1.00 0.00 0.00 0.00 175.10 174.58 2orb s HIS 164 N -1.14 0.24 -0.27 5.22 3.76 0.32 -4.99 115.29 118.44 2orb s HIS 164 Ca 0.21 -0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 54.81 2orb s HIS 164 Cb -0.12 -0.69 0.01 0.00 1.11 0.00 0.00 32.58 32.90 2orb s HIS 164 CO 0.12 -0.47 0.01 0.99 -0.85 0.00 0.00 174.74 174.54 2orb s THR 165 N 2.12 3.46 0.26 1.30 2.01 -1.26 -0.40 115.64 123.13 2orb s THR 165 Ca 0.02 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 60.93 2orb s THR 165 Cb -0.15 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 2orb s THR 165 CO -0.08 0.16 0.91 -0.36 -0.69 0.00 0.00 174.62 174.56 2orb s PHE 166 N 1.42 3.86 0.41 4.92 0.40 -0.91 -5.01 117.98 123.06 2orb s PHE 166 Ca 0.02 1.81 -0.25 0.00 -0.60 0.00 0.00 56.93 57.91 2orb s PHE 166 Cb -0.17 -2.92 -0.11 0.00 0.51 0.00 0.00 43.02 40.34 2orb s PHE 166 CO -0.01 0.37 1.11 -2.30 0.70 0.00 0.00 175.22 175.09 2orb n PRO 167 N 1.14 1.57 -1.97 0.24 -0.02 -1.26 -4.42 135.00 130.27 2orb n PRO 167 Ca -0.01 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 2orb n PRO 167 Cb 0.48 -2.15 0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2orb n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2orb s ALA 168 N -1.22 2.53 -0.01 3.55 0.00 -1.26 -4.81 121.76 120.54 2orb s ALA 168 Ca 0.62 0.80 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2orb s ALA 168 Cb -0.55 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.17 2orb s ALA 168 CO 0.58 -1.13 -0.12 0.08 0.00 0.00 0.00 175.76 175.16 2orb s VAL 169 N -1.90 0.96 -0.12 0.00 1.01 -0.39 -4.92 120.40 115.04 2orb s VAL 169 Ca 0.73 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 2orb s VAL 169 Cb -0.25 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 2orb s VAL 169 CO 0.34 0.27 1.14 -0.22 0.00 0.00 0.00 175.10 176.64 2orb s LEU 170 N -0.27 4.22 -0.62 3.92 2.96 -1.26 -1.68 118.68 125.96 2orb s LEU 170 Ca 0.04 1.65 0.05 0.00 -0.22 0.00 0.00 54.13 55.65 2orb s LEU 170 Cb -0.05 -3.55 0.17 0.00 0.50 0.00 0.00 46.19 43.26 2orb s LEU 170 CO -0.00 -0.61 0.44 -1.58 -1.32 0.00 0.00 176.35 173.28 2orb s GLN 171 N 2.62 2.03 -0.39 1.98 2.00 0.51 -4.88 119.66 123.54 2orb s GLN 171 Ca 0.52 -2.98 -0.00 0.00 -2.00 0.00 0.00 55.36 50.90 2orb s GLN 171 Cb -0.21 -2.90 -0.00 0.00 0.80 0.00 0.00 33.01 30.70 2orb s GLN 171 CO 0.17 -1.30 0.36 0.43 -0.50 0.00 0.00 175.29 174.45 2orb n SER 172 N 2.28 -4.84 0.00 6.67 7.64 -1.26 -3.49 113.62 120.62 2orb n SER 172 Ca 0.21 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2orb n SER 172 Cb 0.38 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.45 2orb n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2orb n ASP 173 N -1.49 0.00 -4.27 6.43 8.00 -1.26 -4.93 116.55 119.03 2orb n ASP 173 Ca -0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 2orb n ASP 173 Cb 0.51 -1.76 -0.13 0.00 -0.02 0.00 0.00 41.12 39.72 2orb n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2orb s LEU 174 N 0.00 2.24 0.17 0.64 1.43 -1.23 -4.94 118.68 117.00 2orb s LEU 174 Ca 0.00 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 2orb s LEU 174 Cb 0.00 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2orb s LEU 174 CO 0.00 0.10 0.40 -0.31 0.23 0.00 0.00 176.35 176.77 2orb s TYR 175 N -1.01 3.48 -0.12 0.29 2.02 -0.29 0.19 117.35 121.92 2orb s TYR 175 Ca 0.07 0.52 -0.13 0.00 -0.37 0.00 0.00 57.07 57.16 2orb s TYR 175 Cb -0.09 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2orb s TYR 175 CO 0.03 0.40 0.36 0.95 -1.57 0.00 0.00 175.55 175.71 2orb s THR 176 N -1.75 0.01 0.23 -0.71 -4.23 -0.67 -1.06 115.64 107.46 2orb s THR 176 Ca 0.41 -0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 60.72 2orb s THR 176 Cb -0.12 -0.53 -0.00 0.00 1.34 0.00 0.00 72.50 73.20 2orb s THR 176 CO 0.26 -0.04 0.45 -1.48 -0.54 0.00 0.00 174.62 173.27 2orb s LEU 177 N -0.04 0.40 0.18 4.79 0.05 -0.10 -1.26 118.68 122.70 2orb s LEU 177 Ca -0.02 -0.88 -0.01 0.00 0.05 0.00 0.00 54.13 53.28 2orb s LEU 177 Cb -0.03 1.70 -0.04 0.00 -2.05 0.00 0.00 46.19 45.77 2orb s LEU 177 CO 0.01 -1.09 0.10 -0.94 -0.55 0.00 0.00 176.35 173.88 2orb s SER 178 N -3.00 0.29 -0.04 1.48 1.04 -1.26 -0.47 113.70 111.74 2orb s SER 178 Ca 0.20 -1.32 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 2orb s SER 178 Cb -0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2orb s SER 178 CO 0.06 -0.79 0.10 -0.55 0.98 0.00 0.00 173.24 173.05 2orb s SER 179 N -3.13 -0.10 0.12 7.02 0.15 -0.22 -2.15 113.70 115.40 2orb s SER 179 Ca 0.33 0.19 0.09 0.00 0.70 0.00 0.00 55.95 57.26 2orb s SER 179 Cb 0.07 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 2orb s SER 179 CO 0.08 -0.04 -0.22 -0.94 1.20 0.00 0.00 173.24 173.32 2orb s SER 180 N 0.02 2.82 -0.02 5.45 1.04 0.46 -0.62 113.70 122.85 2orb s SER 180 Ca -0.00 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.70 2orb s SER 180 Cb -0.01 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.96 2orb s SER 180 CO 0.00 0.08 -0.01 0.54 0.98 0.00 0.00 173.24 174.84 2orb s VAL 181 N -1.28 0.18 -0.15 5.02 0.11 -0.34 -0.52 120.40 123.43 2orb s VAL 181 Ca 0.10 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2orb s VAL 181 Cb -0.09 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 2orb s VAL 181 CO 0.05 0.11 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.00 2orb s THR 182 N 0.64 3.83 0.11 5.04 2.01 0.08 -0.63 115.64 126.72 2orb s THR 182 Ca -0.06 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2orb s THR 182 Cb -0.09 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 2orb s THR 182 CO -0.01 0.50 -0.00 0.68 -0.69 0.00 0.00 174.62 175.09 2orb s VAL 183 N 0.33 0.40 0.40 3.82 -7.23 0.14 -4.72 120.40 113.54 2orb s VAL 183 Ca -0.05 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 57.97 2orb s VAL 183 Cb -0.14 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.86 2orb s VAL 183 CO 0.03 -0.69 1.15 -2.16 -0.31 0.00 0.00 175.10 173.12 2orb s PRO 184 N -3.94 4.08 0.43 4.82 0.04 -1.26 0.13 135.00 139.30 2orb s PRO 184 Ca 0.17 1.79 0.23 0.00 0.04 0.00 0.00 61.00 63.23 2orb s PRO 184 Cb 0.07 -2.67 1.23 0.00 0.04 0.00 0.00 34.50 33.17 2orb s PRO 184 CO -0.02 -0.28 1.74 0.77 0.04 0.00 0.00 177.00 179.25 2orb h SER 185 N 2.65 0.34 -1.00 6.66 0.02 -1.75 0.25 113.55 120.71 2orb h SER 185 Ca -0.49 0.08 0.22 0.00 -0.84 0.00 0.00 61.79 60.77 2orb h SER 185 Cb 1.23 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.69 2orb h SER 185 CO 0.63 0.02 0.60 0.28 -1.14 0.00 0.00 176.83 177.21 2orb h SER 186 N 0.27 0.73 -0.06 3.07 0.02 -1.90 -2.84 113.55 112.85 2orb h SER 186 Ca 0.64 0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 61.57 2orb h SER 186 Cb 1.84 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.39 2orb h SER 186 CO -0.28 0.19 -0.50 0.74 -1.14 0.00 0.00 176.83 175.83 2orb h THR 187 N 0.67 1.40 -4.33 -2.27 2.02 -0.86 -3.41 112.91 106.13 2orb h THR 187 Ca 0.61 -1.91 -0.57 0.00 0.77 0.00 0.00 66.41 65.32 2orb h THR 187 Cb 1.07 2.39 -0.29 0.00 -1.74 0.00 0.00 68.15 69.57 2orb h THR 187 CO -0.43 0.56 -0.84 0.86 0.37 0.00 0.00 175.52 176.04 2orb s TRP 188 N -3.48 1.68 -2.10 3.16 -0.00 -1.07 -0.15 118.94 116.98 2orb s TRP 188 Ca -0.13 -0.32 0.21 0.00 -0.00 0.00 0.00 56.10 55.86 2orb s TRP 188 Cb 0.04 -1.07 1.12 0.00 -0.00 0.00 0.00 33.47 33.57 2orb s TRP 188 CO 0.81 -0.01 1.74 -0.35 -0.00 0.00 0.00 176.95 179.14 2orb n PRO 189 N 2.52 1.21 -0.30 5.86 -0.04 -1.26 -4.65 135.00 138.34 2orb n PRO 189 Ca -0.15 -0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 62.91 2orb n PRO 189 Cb 0.54 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 2orb n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2orb h SER 190 N 0.67 -1.59 -2.56 3.54 0.02 -1.77 -3.41 113.55 108.45 2orb h SER 190 Ca 0.00 0.24 -0.46 0.00 -0.84 0.00 0.00 61.79 60.73 2orb h SER 190 Cb 0.15 0.70 0.09 0.00 0.14 0.00 0.00 62.40 63.48 2orb h SER 190 CO 0.00 -0.18 0.15 -1.61 -1.14 0.00 0.00 176.83 174.06 2orb s GLU 191 N -4.85 1.60 -0.14 3.45 2.02 0.79 -5.09 118.70 116.48 2orb s GLU 191 Ca -0.09 -0.93 -0.07 0.00 0.02 0.00 0.00 54.97 53.90 2orb s GLU 191 Cb 0.08 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 2orb s GLU 191 CO 0.46 -1.54 0.11 0.95 0.02 0.00 0.00 175.26 175.26 2orb s THR 192 N -3.24 5.24 -0.11 3.63 -4.23 -1.26 -4.71 115.64 110.95 2orb s THR 192 Ca 0.67 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.32 2orb s THR 192 Cb -0.06 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2orb s THR 192 CO 0.45 0.55 -0.22 -0.69 -0.54 0.00 0.00 174.62 174.17 2orb s VAL 193 N -0.48 1.99 -0.01 2.29 1.01 -1.26 -5.04 120.40 118.90 2orb s VAL 193 Ca 0.11 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2orb s VAL 193 Cb -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2orb s VAL 193 CO 0.02 0.54 -0.03 0.28 0.00 0.00 0.00 175.10 175.91 2orb s THR 194 N 0.51 0.29 -0.04 3.92 -1.32 -1.26 0.29 115.64 118.03 2orb s THR 194 Ca -0.15 -0.12 -0.03 0.00 -1.21 0.00 0.00 61.69 60.17 2orb s THR 194 Cb -0.17 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 2orb s THR 194 CO 0.05 0.10 0.14 0.00 -2.21 0.00 0.00 174.62 172.70 2orb s ASN 196 N -1.57 4.93 -0.12 0.00 -0.87 0.77 -2.17 114.94 115.90 2orb s ASN 196 Ca 0.22 -0.63 -0.03 0.00 -1.57 0.00 0.00 52.86 50.86 2orb s ASN 196 Cb -0.12 -1.84 -0.03 0.00 -0.02 0.00 0.00 41.25 39.24 2orb s ASN 196 CO 0.12 -0.14 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.79 2orb s VAL 197 N 1.49 4.00 -0.05 1.60 1.01 -0.42 -0.75 120.40 127.29 2orb s VAL 197 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2orb s VAL 197 Cb -0.16 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.52 2orb s VAL 197 CO 0.01 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.60 2orb s ALA 198 N -0.17 0.73 -0.49 5.51 0.00 -0.93 -1.41 121.76 125.01 2orb s ALA 198 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.93 2orb s ALA 198 Cb -0.13 -0.45 0.14 0.00 0.00 0.00 0.00 23.12 22.68 2orb s ALA 198 CO 0.02 -0.02 0.27 -1.58 0.00 0.00 0.00 175.76 174.46 2orb s HIS 199 N 0.93 2.41 0.21 0.00 2.46 -0.86 -2.16 115.29 118.28 2orb s HIS 199 Ca -0.11 -2.71 -0.14 0.00 0.47 0.00 0.00 55.06 52.57 2orb s HIS 199 Cb -0.14 -2.17 0.23 0.00 -0.13 0.00 0.00 32.58 30.37 2orb s HIS 199 CO 0.00 -0.75 1.62 -1.35 -2.47 0.00 0.00 174.74 171.79 2orb h PRO 200 N 6.48 -0.03 -1.07 2.88 0.11 -1.79 -1.66 132.00 136.92 2orb h PRO 200 Ca 0.00 0.00 0.34 0.00 0.11 0.00 0.00 66.00 66.46 2orb h PRO 200 Cb 0.90 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.88 2orb h PRO 200 CO 0.55 -0.02 0.63 0.00 -0.21 0.00 0.00 178.00 178.96 2orb h ALA 201 N 1.54 2.15 -0.35 -0.75 0.00 -1.91 0.33 119.26 120.27 2orb h ALA 201 Ca 0.30 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2orb h ALA 201 Cb 0.49 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2orb h ALA 201 CO -0.67 -0.76 0.00 -1.13 0.00 0.00 0.00 179.25 176.69 2orb n SER 202 N -4.95 3.60 -0.21 0.00 3.41 -0.73 -4.94 113.62 109.79 2orb n SER 202 Ca 0.33 -2.50 -0.02 0.00 -0.26 0.00 0.00 58.87 56.41 2orb n SER 202 Cb 1.08 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 2orb n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2orb n SER 203 N 0.16 -4.12 -4.76 4.04 7.64 0.12 -4.89 113.62 111.79 2orb n SER 203 Ca 0.18 0.05 -0.38 0.00 1.01 0.00 0.00 58.87 59.73 2orb n SER 203 Cb 0.69 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 61.17 2orb n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2orb s THR 204 N -0.92 2.65 -0.27 0.44 2.01 -0.81 -4.92 115.64 113.82 2orb s THR 204 Ca 0.00 0.53 -0.04 0.00 0.31 0.00 0.00 61.69 62.49 2orb s THR 204 Cb 0.00 -3.29 0.15 0.00 0.01 0.00 0.00 72.50 69.37 2orb s THR 204 CO 0.00 0.03 0.52 -0.54 -0.69 0.00 0.00 174.62 173.94 2orb s LYS 205 N -2.55 0.47 0.06 4.92 1.02 -1.26 -2.04 119.74 120.37 2orb s LYS 205 Ca 0.63 0.96 0.03 0.00 0.02 0.00 0.00 55.97 57.60 2orb s LYS 205 Cb -0.35 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 2orb s LYS 205 CO 0.44 -0.50 -0.08 0.14 -0.92 0.00 0.00 175.35 174.42 2orb s VAL 206 N 2.74 0.67 -0.14 3.17 -7.23 -0.50 -5.02 120.40 114.10 2orb s VAL 206 Ca 0.11 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2orb s VAL 206 Cb -0.14 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 35.88 2orb s VAL 206 CO -0.18 -0.48 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.20 2orb s ASP 207 N -1.96 2.59 -0.18 4.85 1.11 -1.26 -1.30 116.67 120.51 2orb s ASP 207 Ca -0.03 -0.46 -0.02 0.00 0.18 0.00 0.00 52.55 52.22 2orb s ASP 207 Cb -0.06 -1.10 -0.01 0.00 1.07 0.00 0.00 42.92 42.82 2orb s ASP 207 CO -0.00 -0.07 -0.10 -0.75 1.18 0.00 0.00 175.17 175.42 2orb s LYS 208 N 1.54 3.32 0.17 8.23 2.47 -0.92 -4.97 119.74 129.56 2orb s LYS 208 Ca 0.05 -0.68 -0.24 0.00 -1.56 0.00 0.00 55.97 53.54 2orb s LYS 208 Cb -0.13 -2.79 -0.08 0.00 -1.46 0.00 0.00 37.83 33.37 2orb s LYS 208 CO -0.10 -0.04 0.75 0.15 0.16 0.00 0.00 175.35 176.27 2orb s LYS 209 N 1.02 4.49 -0.64 4.03 1.02 -1.26 -1.83 119.74 126.56 2orb s LYS 209 Ca -0.01 1.08 -0.19 0.00 0.02 0.00 0.00 55.97 56.87 2orb s LYS 209 Cb -0.15 -3.20 0.11 0.00 -0.52 0.00 0.00 37.83 34.07 2orb s LYS 209 CO -0.01 0.55 0.78 0.42 -0.92 0.00 0.00 175.35 176.17 2orb s ILE 210 N -1.20 4.77 -0.12 2.17 -1.09 0.15 -4.83 121.20 121.05 2orb s ILE 210 Ca 0.36 -1.01 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2orb s ILE 210 Cb -0.22 -4.54 -0.03 0.00 -1.58 0.00 0.00 42.46 36.09 2orb s ILE 210 CO 0.25 -1.21 -0.01 -0.69 -1.23 0.00 0.00 174.94 172.05 2orb s VAL 211 N 2.79 4.21 0.81 2.92 1.01 -1.26 -4.52 120.40 126.36 2orb s VAL 211 Ca 0.15 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2orb s VAL 211 Cb -0.21 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.45 2orb s VAL 211 CO 0.05 0.55 1.14 -2.16 0.00 0.00 0.00 175.10 174.68 2orb s PRO 212 N -0.36 1.77 0.01 2.72 0.04 -1.26 -4.79 135.00 133.14 2orb s PRO 212 Ca 0.07 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 2orb s PRO 212 Cb -0.12 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2orb s PRO 212 CO 0.02 -2.06 0.31 1.03 0.04 0.00 0.00 177.00 176.34 2orb s ARG 213 N -4.51 3.66 0.00 4.56 0.52 -1.26 -5.14 118.95 116.78 2orb s ARG 213 Ca 0.67 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 2orb s ARG 213 Cb -0.22 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.16 2orb s ARG 213 CO 0.53 0.64 0.00 -0.25 0.02 0.00 0.00 175.30 176.24