#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 3.66 -0.01 6.31 1.01 -1.26 -4.26 120.40 125.85 2orb s VAL 2 Ca 0.00 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.26 2orb s VAL 2 Cb 0.00 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 2orb s VAL 2 CO 0.00 0.14 -0.05 -1.00 0.00 0.00 0.00 175.10 174.19 2orb s HIS 3 N 0.61 0.50 -0.15 5.22 3.76 0.88 -5.00 115.29 121.10 2orb s HIS 3 Ca 0.58 -0.10 -0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2orb s HIS 3 Cb -0.33 -0.34 0.05 0.00 1.11 0.00 0.00 32.58 33.07 2orb s HIS 3 CO 0.33 -0.02 0.00 -0.51 -0.85 0.00 0.00 174.74 173.69 2orb s LEU 4 N -0.03 1.13 -0.16 0.89 1.43 -1.26 -1.23 118.68 119.45 2orb s LEU 4 Ca 0.01 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2orb s LEU 4 Cb -0.03 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 2orb s LEU 4 CO -0.00 -0.25 -0.07 -0.69 0.23 0.00 0.00 176.35 175.57 2orb s VAL 5 N 1.83 3.45 0.24 -1.59 1.01 -0.88 -4.08 120.40 120.37 2orb s VAL 5 Ca 0.01 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.55 2orb s VAL 5 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2orb s VAL 5 CO -0.07 0.49 0.23 -1.61 0.00 0.00 0.00 175.10 174.13 2orb s GLU 6 N 0.64 3.05 0.15 2.72 2.02 -1.26 -0.06 118.70 125.96 2orb s GLU 6 Ca -0.04 -0.96 -0.24 0.00 0.02 0.00 0.00 54.97 53.74 2orb s GLU 6 Cb -0.15 -2.65 0.06 0.00 0.10 0.00 0.00 34.13 31.49 2orb s GLU 6 CO 0.03 0.42 0.81 -1.54 0.02 0.00 0.00 175.26 174.99 2orb s SER 7 N -3.78 -0.32 0.00 -0.19 1.04 -0.78 -4.97 113.70 104.70 2orb s SER 7 Ca 0.33 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2orb s SER 7 Cb -0.08 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2orb s SER 7 CO 0.26 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2orb n GLY 8 N -0.40 0.62 3.71 7.32 0.00 -1.26 -1.77 105.19 113.41 2orb n GLY 8 Ca -0.09 0.00 -0.35 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 -2.01 2.48 0.00 -0.02 0.00 -1.26 -4.77 107.32 101.74 2orb s GLY 9 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.74 2orb s GLY 9 CO 0.00 1.45 0.00 1.34 0.00 0.00 0.00 173.10 175.89 2orb n ASP 10 N -2.68 0.00 -4.75 1.64 2.03 -0.44 -4.91 116.55 107.43 2orb n ASP 10 Ca 0.15 0.00 -0.38 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 4.35 0.03 -2.67 1.98 -1.26 -1.87 118.68 119.24 2orb s LEU 11 Ca 0.00 0.94 0.00 0.00 -2.89 0.00 0.00 54.13 52.19 2orb s LEU 11 Cb 0.00 -2.75 -0.02 0.00 0.66 0.00 0.00 46.19 44.08 2orb s LEU 11 CO 0.00 0.08 -0.04 -0.69 -1.89 0.00 0.00 176.35 173.81 2orb s VAL 12 N 0.12 0.20 0.48 1.68 1.01 -0.08 -4.96 120.40 118.85 2orb s VAL 12 Ca 0.27 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 2orb s VAL 12 Cb -0.16 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.78 2orb s VAL 12 CO 0.13 -0.48 1.03 -0.54 0.00 0.00 0.00 175.10 175.23 2orb s LYS 13 N -1.52 3.85 0.29 2.72 1.02 -1.26 -1.68 119.74 123.16 2orb s LYS 13 Ca -0.14 1.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.87 2orb s LYS 13 Cb -0.10 -2.10 -0.12 0.00 -0.52 0.00 0.00 37.83 34.99 2orb s LYS 13 CO -0.01 -0.39 1.48 -2.30 -0.92 0.00 0.00 175.35 173.22 2orb n PRO 14 N -0.96 2.39 0.00 -1.68 -0.02 -1.26 -0.45 135.00 133.02 2orb n PRO 14 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2orb n PRO 14 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 1.84 2.25 2.08 -1.23 0.00 0.79 -4.93 105.19 105.99 2orb n GLY 15 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 -1.53 3.38 -0.02 0.00 0.40 -3.95 105.19 101.48 2orb n GLY 16 Ca 0.00 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.58 2.45 -0.28 1.61 0.01 -1.26 -2.30 113.70 110.35 2orb s SER 17 Ca 0.41 -1.17 -0.19 0.00 1.31 0.00 0.00 55.95 56.31 2orb s SER 17 Cb -0.01 -0.11 0.10 0.00 0.21 0.00 0.00 66.02 66.20 2orb s SER 17 CO 0.29 -0.37 0.81 -0.22 0.41 0.00 0.00 173.24 174.17 2orb s LEU 18 N -3.38 -0.73 -0.23 2.44 0.20 -0.28 -4.99 118.68 111.70 2orb s LEU 18 Ca 0.28 1.24 -0.07 0.00 0.69 0.00 0.00 54.13 56.27 2orb s LEU 18 Cb 0.04 2.17 -0.03 0.00 -0.43 0.00 0.00 46.19 47.94 2orb s LEU 18 CO 0.10 -0.20 0.06 -0.75 -0.29 0.00 0.00 176.35 175.27 2orb s LYS 19 N 1.11 3.73 0.02 1.98 2.47 -1.26 -1.17 119.74 126.62 2orb s LYS 19 Ca -0.06 -0.45 0.02 0.00 -1.56 0.00 0.00 55.97 53.92 2orb s LYS 19 Cb -0.05 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 2orb s LYS 19 CO -0.13 -0.06 0.00 -0.51 0.16 0.00 0.00 175.35 174.82 2orb s LEU 20 N 1.25 3.51 0.10 5.43 1.43 -0.52 -4.65 118.68 125.23 2orb s LEU 20 Ca 0.05 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 2orb s LEU 20 Cb -0.15 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2orb s LEU 20 CO 0.03 0.26 -0.15 -0.94 0.23 0.00 0.00 176.35 175.78 2orb s SER 21 N -1.73 1.89 -0.10 2.29 1.04 -0.73 -1.49 113.70 114.88 2orb s SER 21 Ca 0.21 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 2orb s SER 21 Cb -0.12 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.98 2orb s SER 21 CO 0.12 -0.09 0.04 0.00 0.98 0.00 0.00 173.24 174.29 2orb s ALA 23 N 2.05 3.49 0.26 0.00 0.00 0.92 -0.91 121.76 127.56 2orb s ALA 23 Ca 0.03 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 2orb s ALA 23 Cb -0.14 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 19.97 2orb s ALA 23 CO -0.06 -1.13 0.72 0.00 0.00 0.00 0.00 175.76 175.28 2orb s ALA 24 N 2.22 3.39 -0.22 0.00 0.00 -0.35 -2.08 121.76 124.72 2orb s ALA 24 Ca 0.16 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.02 2orb s ALA 24 Cb -0.16 -2.78 0.06 0.00 0.00 0.00 0.00 23.12 20.24 2orb s ALA 24 CO 0.12 0.34 0.59 -1.54 0.00 0.00 0.00 175.76 175.27 2orb s SER 25 N -1.91 -0.64 0.00 0.00 1.04 -0.37 -4.89 113.70 106.94 2orb s SER 25 Ca 0.47 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.10 2orb s SER 25 Cb -0.14 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.18 2orb s SER 25 CO 0.19 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2orb n GLY 26 N 2.94 1.04 3.67 7.32 0.00 -1.26 -0.09 105.19 118.81 2orb n GLY 26 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 -0.99 1.61 -0.12 -1.26 -4.42 117.98 110.73 2orb s PHE 27 Ca 0.00 -0.10 -0.22 0.00 -0.05 0.00 0.00 56.93 56.56 2orb s PHE 27 Cb 0.00 0.58 0.08 0.00 -0.63 0.00 0.00 43.02 43.05 2orb s PHE 27 CO 0.00 -0.46 1.35 0.99 -0.05 0.00 0.00 175.22 177.05 2orb s THR 28 N -2.70 4.19 0.22 -4.49 2.01 -1.26 -4.87 115.64 108.74 2orb s THR 28 Ca 0.14 -1.04 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 2orb s THR 28 Cb 0.03 -4.97 0.28 0.00 0.01 0.00 0.00 72.50 67.85 2orb s THR 28 CO -0.02 -1.80 1.40 0.33 -0.69 0.00 0.00 174.62 173.84 2orb n PHE 29 N 8.10 0.12 0.59 4.92 7.35 -1.26 0.01 117.46 137.30 2orb n PHE 29 Ca 0.30 1.10 0.05 0.00 -0.76 0.00 0.00 57.45 58.14 2orb n PHE 29 Cb 0.50 -0.90 0.29 0.00 0.35 0.00 0.00 39.48 39.72 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 -5.37 0.00 -1.00 -2.13 3.41 -1.26 -1.89 113.62 105.38 2orb n SER 30 Ca 0.11 -0.21 0.10 0.00 -0.26 0.00 0.00 58.87 58.61 2orb n SER 30 Cb 0.39 -0.07 0.18 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.07 0.42 -3.95 7.33 8.25 0.10 -4.43 115.22 121.87 2orb n HIS 31 Ca 0.07 -0.25 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 2orb n HIS 31 Cb 0.05 -0.00 -0.14 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 -1.36 0.17 0.70 4.41 1.51 -0.79 -4.97 117.35 117.01 2orb s TYR 32 Ca 0.33 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 56.27 2orb s TYR 32 Cb 0.20 -0.15 0.01 0.00 -0.11 0.00 0.00 41.96 41.91 2orb s TYR 32 CO 0.27 -0.02 1.06 0.20 -1.11 0.00 0.00 175.55 175.95 2orb s GLY 33 N 0.15 1.67 0.11 0.71 0.00 -1.26 -4.14 107.32 104.55 2orb s GLY 33 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.83 2orb s GLY 33 CO -0.00 0.40 -0.08 1.06 0.00 0.00 0.00 173.10 174.48 2orb s MET 34 N -5.04 0.87 0.11 2.90 1.00 -0.62 -1.70 119.30 116.82 2orb s MET 34 Ca 0.58 -1.32 -0.04 0.00 0.00 0.00 0.00 55.69 54.91 2orb s MET 34 Cb -0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 34.83 34.34 2orb s MET 34 CO 0.55 0.01 0.10 -1.12 0.00 0.00 0.00 175.02 174.56 2orb s SER 35 N -2.97 0.27 -0.03 3.03 0.01 -0.33 -0.45 113.70 113.25 2orb s SER 35 Ca 0.12 -1.01 0.06 0.00 1.31 0.00 0.00 55.95 56.42 2orb s SER 35 Cb 0.03 0.31 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2orb s SER 35 CO -0.03 -0.73 -0.21 0.26 0.41 0.00 0.00 173.24 172.94 2orb s TRP 36 N -3.97 1.91 0.03 2.43 0.52 -0.33 -0.95 118.94 118.57 2orb s TRP 36 Ca 0.16 -0.42 0.03 0.00 0.02 0.00 0.00 56.10 55.89 2orb s TRP 36 Cb 0.06 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 2orb s TRP 36 CO -0.03 -0.08 -0.10 0.08 0.02 0.00 0.00 176.95 176.84 2orb s VAL 37 N -0.35 0.76 0.25 4.03 1.01 0.51 -0.89 120.40 125.72 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 -0.09 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 2orb s VAL 37 CO 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 175.10 174.85 2orb s ARG 38 N -0.98 1.55 -0.19 2.72 1.70 0.63 -0.03 118.95 124.35 2orb s ARG 38 Ca -0.02 -1.69 -0.04 0.00 -0.47 0.00 0.00 55.73 53.52 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 0.01 0.28 0.07 -1.14 -1.08 0.00 0.00 175.30 173.44 2orb s GLN 39 N -3.49 0.36 0.72 3.89 0.74 0.07 0.19 119.66 122.13 2orb s GLN 39 Ca 0.27 -0.29 -0.11 0.00 0.05 0.00 0.00 55.36 55.27 2orb s GLN 39 Cb -0.04 -1.93 0.03 0.00 1.10 0.00 0.00 33.01 32.17 2orb s GLN 39 CO 0.12 -0.69 1.07 0.95 -0.55 0.00 0.00 175.29 176.20 2orb s THR 40 N 1.99 3.69 0.56 -0.34 -4.23 -1.00 -1.74 115.64 114.58 2orb s THR 40 Ca 0.01 0.57 0.39 0.00 -1.18 0.00 0.00 61.69 61.48 2orb s THR 40 Cb -0.17 -3.19 0.58 0.00 1.34 0.00 0.00 72.50 71.06 2orb s THR 40 CO -0.10 -0.70 1.71 1.55 -0.54 0.00 0.00 174.62 176.54 2orb h PRO 41 N -0.79 0.00 -0.03 3.99 0.13 -1.92 0.78 132.00 134.16 2orb h PRO 41 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2orb h PRO 41 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2orb h PRO 41 CO 0.54 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.91 2orb n ASP 42 N -3.99 0.03 0.00 1.44 5.68 -1.26 -4.82 116.55 113.64 2orb n ASP 42 Ca 0.29 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 2orb n ASP 42 Cb 1.43 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.40 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 -0.46 0.00 -2.62 0.11 4.76 0.27 -4.98 118.16 115.24 2orb n LYS 43 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 2orb n LYS 43 Cb 0.01 -3.84 -0.05 0.00 -1.84 0.00 0.00 35.03 29.31 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 -0.66 4.37 -0.05 1.97 3.00 -1.24 -4.83 118.95 121.51 2orb s ARG 44 Ca 0.00 1.48 -0.15 0.00 -1.00 0.00 0.00 55.73 56.07 2orb s ARG 44 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 34.95 32.18 2orb s ARG 44 CO 0.00 0.05 0.39 -0.51 0.00 0.00 0.00 175.30 175.23 2orb s LEU 45 N -2.28 4.40 -0.08 -0.88 1.43 -1.26 -2.38 118.68 117.62 2orb s LEU 45 Ca 0.53 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.46 2orb s LEU 45 Cb -0.22 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.49 2orb s LEU 45 CO 0.28 0.24 0.05 -0.70 0.23 0.00 0.00 176.35 176.45 2orb s GLU 46 N -0.56 0.19 0.33 1.70 2.12 0.13 -4.98 118.70 117.63 2orb s GLU 46 Ca 0.23 0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 2orb s GLU 46 Cb -0.16 -1.00 -0.11 0.00 0.26 0.00 0.00 34.13 33.12 2orb s GLU 46 CO 0.11 -0.41 1.52 -0.46 -0.54 0.00 0.00 175.26 175.48 2orb s TRP 47 N 2.09 2.70 -0.03 5.30 -0.00 -1.26 -0.27 118.94 127.46 2orb s TRP 47 Ca 0.04 1.02 0.03 0.00 -0.00 0.00 0.00 56.10 57.19 2orb s TRP 47 Cb -0.13 -4.02 -0.05 0.00 -0.00 0.00 0.00 33.47 29.28 2orb s TRP 47 CO -0.05 -3.16 0.02 0.28 -0.00 0.00 0.00 176.95 174.04 2orb n VAL 48 N 1.25 0.20 0.00 5.86 0.31 -0.07 -4.75 118.33 121.13 2orb n VAL 48 Ca 0.04 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2orb n VAL 48 Cb 0.39 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 -2.04 0.00 -2.80 3.52 0.00 -1.01 -4.28 120.51 113.90 2orb n ALA 49 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 2orb n ALA 49 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.12 -1.19 115.64 107.21 2orb s THR 50 Ca 0.00 -0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2orb s THR 50 Cb 0.00 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.64 2orb s THR 50 CO 0.00 -0.48 0.00 -0.51 -0.54 0.00 0.00 174.62 173.09 2orb s ILE 51 N -3.52 0.06 0.98 2.99 2.07 0.41 -2.73 121.20 121.46 2orb s ILE 51 Ca 0.02 -0.51 -0.12 0.00 -1.41 0.00 0.00 60.65 58.64 2orb s ILE 51 Cb 0.03 -0.17 0.18 0.00 0.13 0.00 0.00 42.46 42.62 2orb s ILE 51 CO -0.09 -0.28 1.08 -0.83 -1.91 0.00 0.00 174.94 172.91 2orb s GLY 52 N -0.83 1.61 0.27 1.50 0.00 -0.28 -1.60 107.32 108.00 2orb s GLY 52 Ca -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 2orb s GLY 52 CO -0.00 0.60 1.80 1.48 0.00 0.00 0.00 173.10 176.98 2orb h SER 52 N -1.95 0.77 0.67 1.64 4.64 -1.87 -2.48 113.55 114.96 2orb h SER 52 Ca -0.52 -0.16 -0.27 0.00 -0.47 0.00 0.00 61.79 60.38 2orb h SER 52 Cb 1.30 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2orb h SER 52 CO 0.50 0.79 -1.33 0.03 -0.87 0.00 0.00 176.83 175.96 2orb h ARG 53 N 0.78 0.14 0.00 4.77 3.08 -1.89 -3.43 114.38 117.82 2orb h ARG 53 Ca 0.16 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2orb h ARG 53 Cb 0.36 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2orb h ARG 53 CO 0.01 1.01 0.00 0.41 -1.07 0.00 0.00 179.97 180.33 2orb n GLY 54 N 1.52 1.00 0.00 0.04 0.00 -0.94 -4.96 105.19 101.85 2orb n GLY 54 Ca -0.10 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 0.74 -3.51 2.61 -2.24 -1.26 -4.78 114.28 103.83 2orb n THR 55 Ca 0.00 0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.82 2orb n THR 55 Cb 0.00 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 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 -2.70 -0.51 -0.27 4.78 -0.85 -1.26 -5.02 117.35 111.51 2orb s TYR 56 Ca 0.11 0.57 -0.21 0.00 -0.52 0.00 0.00 57.07 57.02 2orb s TYR 56 Cb 0.09 0.43 0.08 0.00 0.38 0.00 0.00 41.96 42.94 2orb s TYR 56 CO 0.23 -0.70 0.73 0.95 -1.52 0.00 0.00 175.55 175.24 2orb s THR 57 N -2.60 0.00 0.12 -3.49 -4.23 -1.26 -1.13 115.64 103.05 2orb s THR 57 Ca -0.04 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 2orb s THR 57 Cb -0.01 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 2orb s THR 57 CO -0.03 0.00 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.76 2orb s HIS 58 N 0.86 0.94 0.12 3.99 2.46 -1.10 -5.01 115.29 117.54 2orb s HIS 58 Ca -0.04 -1.04 -0.02 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 -0.07 -0.28 0.07 0.71 -2.47 0.00 0.00 174.74 172.69 2orb s TYR 59 N -3.76 0.73 0.56 3.88 1.51 -1.26 -2.81 117.35 116.19 2orb s TYR 59 Ca 0.18 -1.13 -0.10 0.00 -1.01 0.00 0.00 57.07 55.01 2orb s TYR 59 Cb 0.06 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 2orb s TYR 59 CO -0.01 -0.51 0.94 -1.25 -1.11 0.00 0.00 175.55 173.61 2orb s PRO 60 N -4.01 3.61 0.41 -1.71 0.04 -1.26 -4.82 135.00 127.26 2orb s PRO 60 Ca 0.20 0.59 0.14 0.00 0.04 0.00 0.00 61.00 61.96 2orb s PRO 60 Cb 0.07 -2.19 0.99 0.00 0.04 0.00 0.00 34.50 33.42 2orb s PRO 60 CO -0.01 -0.42 1.91 -0.44 0.04 0.00 0.00 177.00 178.08 2orb h ASP 61 N -0.01 0.45 -0.41 6.66 3.32 -1.98 -1.63 116.42 122.83 2orb h ASP 61 Ca -0.45 0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.74 2orb h ASP 61 Cb 1.19 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 2orb h ASP 61 CO 0.62 0.24 0.34 0.77 -1.72 0.00 0.00 179.24 179.49 2orb h SER 62 N 0.48 0.00 0.00 6.45 4.64 -1.98 -3.08 113.55 120.07 2orb h SER 62 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2orb h SER 62 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2orb h SER 62 CO -0.13 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.16 2orb n VAL 63 N -4.12 0.00 -1.65 0.95 0.24 -0.94 -5.00 118.33 107.80 2orb n VAL 63 Ca 0.07 -0.32 -0.49 0.00 -2.04 0.00 0.00 64.34 61.56 2orb n VAL 63 Cb 0.53 1.23 -0.05 0.00 -1.47 0.00 0.00 33.84 34.08 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 -0.23 1.80 0.00 7.34 4.81 -0.66 -0.94 118.16 130.28 2orb n LYS 64 Ca 0.00 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2orb n LYS 64 Cb 0.06 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 32.72 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 3.37 2.12 0.04 3.14 0.00 -1.26 -4.81 105.19 107.79 2orb n GLY 65 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 2.14 -4.30 1.61 1.74 -0.12 -5.03 116.66 110.70 2orb n ARG 66 Ca 0.00 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2orb n ARG 66 Cb 0.00 -1.17 -0.09 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.17 3.10 -0.05 -1.55 0.40 -0.89 -1.10 117.98 115.72 2orb s PHE 67 Ca -0.06 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 2orb s PHE 67 Cb 0.02 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.87 2orb s PHE 67 CO 0.26 0.46 -0.03 0.99 0.70 0.00 0.00 175.22 177.60 2orb s THR 68 N -1.04 0.52 -0.10 0.64 2.01 0.16 -4.87 115.64 112.95 2orb s THR 68 Ca 0.18 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 2orb s THR 68 Cb -0.11 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 2orb s THR 68 CO 0.08 0.24 0.32 -0.63 -0.69 0.00 0.00 174.62 173.94 2orb s ILE 69 N 1.22 5.24 0.13 1.82 1.01 -1.26 -1.29 121.20 128.08 2orb s ILE 69 Ca -0.06 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 2orb s ILE 69 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2orb s ILE 69 CO -0.02 0.48 0.04 -0.94 0.00 0.00 0.00 174.94 174.51 2orb s SER 70 N -0.24 0.43 -0.05 3.58 1.04 -1.04 -4.98 113.70 112.45 2orb s SER 70 Ca 0.19 -1.19 -0.20 0.00 0.48 0.00 0.00 55.95 55.23 2orb s SER 70 Cb -0.14 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.29 2orb s SER 70 CO 0.07 -0.70 0.44 0.00 0.98 0.00 0.00 173.24 174.03 2orb s ARG 71 N -4.02 0.77 -0.42 4.02 1.70 -1.26 0.63 118.95 120.37 2orb s ARG 71 Ca 0.23 0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.57 2orb s ARG 71 Cb 0.07 0.35 0.12 0.00 -0.57 0.00 0.00 34.95 34.93 2orb s ARG 71 CO 0.01 -0.21 0.20 0.34 -1.08 0.00 0.00 175.30 174.56 2orb s ASP 72 N -1.08 3.93 0.61 -2.89 3.68 0.86 -4.96 116.67 116.82 2orb s ASP 72 Ca -0.11 -2.46 0.34 0.00 2.13 0.00 0.00 52.55 52.45 2orb s ASP 72 Cb -0.03 -1.15 1.96 0.00 -1.45 0.00 0.00 42.92 42.24 2orb s ASP 72 CO 0.05 -0.30 2.27 0.78 0.13 0.00 0.00 175.17 178.11 2orb h ASN 73 N 7.03 0.00 0.28 -0.34 2.35 -1.95 0.28 115.58 123.22 2orb h ASN 73 Ca -0.05 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 2orb h ASN 73 Cb 0.95 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 2orb h ASN 73 CO 0.52 0.01 -0.47 0.44 -1.65 0.00 0.00 177.43 176.27 2orb h ASP 74 N 0.00 0.25 -0.32 5.81 5.19 -1.95 -3.06 116.42 122.33 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 0.03 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2orb h ASP 74 CO 0.00 0.69 0.00 0.29 -3.12 0.00 0.00 179.24 177.10 2orb n LYS 75 N -3.98 2.88 -3.96 3.56 5.02 -0.33 -5.00 118.16 116.37 2orb n LYS 75 Ca -0.02 -2.04 -0.26 0.00 -2.02 0.00 0.00 58.31 53.97 2orb n LYS 75 Cb 0.52 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 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 0.42 -0.64 -4.13 4.39 5.03 0.83 -4.85 115.26 116.31 2orb n ASN 76 Ca 0.11 -1.03 -0.21 0.00 0.87 0.00 0.00 54.58 54.32 2orb n ASN 76 Cb 0.43 -2.96 -0.14 0.00 -1.02 0.00 0.00 39.78 36.09 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 -3.95 1.18 -0.03 5.41 0.00 -0.77 -1.20 121.76 122.39 2orb s ALA 77 Ca 0.04 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2orb s ALA 77 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2orb s ALA 77 CO 0.89 0.25 -0.15 -1.17 0.00 0.00 0.00 175.76 175.58 2orb s LEU 78 N -0.88 2.69 0.26 0.00 2.96 -0.09 -0.10 118.68 123.53 2orb s LEU 78 Ca 0.03 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2orb s LEU 78 Cb -0.07 -1.55 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 2orb s LEU 78 CO 0.01 0.33 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.98 2orb s TYR 79 N -0.77 1.90 -0.29 5.38 1.51 0.21 -0.79 117.35 124.50 2orb s TYR 79 Ca 0.12 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2orb s TYR 79 Cb -0.11 -1.05 0.15 0.00 -0.11 0.00 0.00 41.96 40.84 2orb s TYR 79 CO 0.01 0.28 0.35 -1.17 -1.11 0.00 0.00 175.55 173.92 2orb s LEU 80 N -3.42 -0.49 -0.27 -1.29 1.98 -0.55 -2.49 118.68 112.15 2orb s LEU 80 Ca 0.28 -0.58 -0.21 0.00 -2.89 0.00 0.00 54.13 50.73 2orb s LEU 80 Cb 0.03 0.78 -0.01 0.00 0.66 0.00 0.00 46.19 47.65 2orb s LEU 80 CO 0.11 -0.37 0.68 -1.10 -1.89 0.00 0.00 176.35 173.78 2orb s GLN 81 N 2.45 4.07 -0.16 1.98 -1.52 -0.41 -1.44 119.66 124.63 2orb s GLN 81 Ca 0.10 0.58 -0.03 0.00 -1.95 0.00 0.00 55.36 54.05 2orb s GLN 81 Cb -0.13 -3.67 -0.02 0.00 -0.22 0.00 0.00 33.01 28.96 2orb s GLN 81 CO -0.31 -0.49 -0.04 -1.64 -0.25 0.00 0.00 175.29 172.56 2orb s MET 82 N 2.63 3.61 0.27 2.91 -1.94 -0.32 -0.67 119.30 125.79 2orb s MET 82 Ca 0.28 -0.55 0.04 0.00 -1.71 0.00 0.00 55.69 53.76 2orb s MET 82 Cb -0.15 -2.91 -0.06 0.00 2.01 0.00 0.00 34.83 33.72 2orb s MET 82 CO 0.09 0.18 -0.00 -0.80 -0.01 0.00 0.00 175.02 174.48 2orb s ASN 82 N 0.51 2.24 -1.51 3.03 0.01 -0.26 -1.13 114.94 117.83 2orb s ASN 82 Ca -0.04 -1.25 -0.06 0.00 -0.71 0.00 0.00 52.86 50.81 2orb s ASN 82 Cb -0.14 -0.07 0.05 0.00 0.41 0.00 0.00 41.25 41.50 2orb s ASN 82 CO 0.03 -0.49 0.50 -1.20 -1.51 0.00 0.00 177.10 174.43 2orb n SER 82 N -0.53 -1.15 -4.74 -1.22 7.64 -1.15 -4.68 113.62 107.79 2orb n SER 82 Ca -0.04 -1.03 -0.35 0.00 1.01 0.00 0.00 58.87 58.45 2orb n SER 82 Cb 0.64 -2.86 0.07 0.00 -1.01 0.00 0.00 64.21 61.05 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 -7.10 3.49 0.14 -3.43 1.43 -0.97 -4.66 118.68 107.59 2orb s LEU 82 Ca 0.23 2.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.80 2orb s LEU 82 Cb -0.12 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 2orb s LEU 82 CO 0.91 -1.97 -0.11 -0.54 0.23 0.00 0.00 176.35 174.87 2orb s LYS 83 N -3.60 1.05 0.45 1.70 1.02 -1.26 -0.15 119.74 118.94 2orb s LYS 83 Ca 0.77 -1.41 0.19 0.00 0.02 0.00 0.00 55.97 55.54 2orb s LYS 83 Cb -0.31 -0.65 1.15 0.00 -0.52 0.00 0.00 37.83 37.49 2orb s LYS 83 CO 0.40 0.09 1.91 0.77 -0.92 0.00 0.00 175.35 177.59 2orb h SER 84 N 2.90 0.31 0.35 2.83 0.02 -1.98 0.28 113.55 118.26 2orb h SER 84 Ca -0.37 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2orb h SER 84 Cb 1.19 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2orb h SER 84 CO 0.61 0.14 0.00 -0.08 -1.14 0.00 0.00 176.83 176.37 2orb h GLU 85 N 0.32 0.00 -0.00 3.45 4.81 -1.96 -2.41 114.58 118.79 2orb h GLU 85 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 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 -0.11 0.00 -0.17 -0.25 -0.73 0.00 0.00 179.01 177.75 2orb n ASP 86 N -2.73 0.56 -4.69 1.04 8.00 0.98 -4.86 116.55 114.85 2orb n ASP 86 Ca -0.01 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 2orb n ASP 86 Cb 0.14 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.56 3.18 0.01 -3.53 -4.23 -0.91 -4.87 115.64 102.73 2orb s THR 87 Ca 0.25 0.58 -0.28 0.00 -1.18 0.00 0.00 61.69 61.07 2orb s THR 87 Cb 0.20 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.75 2orb s THR 87 CO 0.51 -0.01 1.26 0.00 -0.54 0.00 0.00 174.62 175.84 2orb s ALA 88 N 2.79 -2.37 -0.24 3.99 0.00 0.01 -4.53 121.76 121.42 2orb s ALA 88 Ca 0.73 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 2orb s ALA 88 Cb -0.38 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 2orb s ALA 88 CO 0.31 -1.14 0.25 -1.64 0.00 0.00 0.00 175.76 173.55 2orb s MET 89 N -2.04 4.08 -0.16 0.00 -1.94 -0.71 -1.05 119.30 117.48 2orb s MET 89 Ca 0.29 -0.11 -0.06 0.00 -1.71 0.00 0.00 55.69 54.09 2orb s MET 89 Cb -0.01 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 2orb s MET 89 CO 0.00 -0.03 0.05 0.71 -0.01 0.00 0.00 175.02 175.74 2orb s TYR 90 N 1.31 3.24 0.02 -0.03 1.51 0.85 -0.75 117.35 123.51 2orb s TYR 90 Ca 0.11 0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 2orb s TYR 90 Cb -0.14 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2orb s TYR 90 CO 0.07 0.22 -0.23 0.71 -1.11 0.00 0.00 175.55 175.21 2orb s TYR 91 N 0.08 2.03 0.18 2.71 1.51 0.96 -0.31 117.35 124.52 2orb s TYR 91 Ca 0.04 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2orb s TYR 91 Cb -0.12 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 2orb s TYR 91 CO 0.01 0.05 0.30 0.00 -1.11 0.00 0.00 175.55 174.80 2orb s ALA 93 N -1.83 -1.23 0.09 0.00 0.00 -0.12 -1.98 121.76 116.69 2orb s ALA 93 Ca 0.34 0.91 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 2orb s ALA 93 Cb -0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 2orb s ALA 93 CO 0.28 -0.29 0.39 0.50 0.00 0.00 0.00 175.76 176.64 2orb s ARG 94 N -0.93 3.72 -0.16 0.00 3.52 -0.86 -1.18 118.95 123.06 2orb s ARG 94 Ca -0.10 0.11 -0.08 0.00 -0.13 0.00 0.00 55.73 55.53 2orb s ARG 94 Cb -0.03 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 2orb s ARG 94 CO 0.05 0.55 0.11 0.50 -0.81 0.00 0.00 175.30 175.70 2orb s ARG 95 N -2.04 3.81 -0.27 5.12 3.52 -0.69 -2.35 118.95 126.05 2orb s ARG 95 Ca 0.34 -0.23 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2orb s ARG 95 Cb -0.13 -3.25 -0.15 0.00 -1.56 0.00 0.00 34.95 29.85 2orb s ARG 95 CO 0.19 0.48 -0.27 0.43 -0.81 0.00 0.00 175.30 175.32 2orb n SER 96 N 2.93 1.98 0.00 -2.12 7.64 -1.26 -4.20 113.62 118.58 2orb n SER 96 Ca -0.18 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2orb n SER 96 Cb 0.53 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2orb n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2orb n ALA 100 N -3.57 0.00 -2.06 -0.43 0.00 -1.26 -5.04 120.51 108.15 2orb n ALA 100 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 52.95 2orb n ALA 100 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 2orb n ALA 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2orb n MET 100 N 0.00 -0.48 0.09 0.00 2.81 -0.99 -5.00 117.12 113.56 2orb n MET 100 Ca 0.00 0.86 0.06 0.00 -1.81 0.00 0.00 57.70 56.81 2orb n MET 100 Cb 0.00 -3.03 -0.01 0.00 -0.71 0.00 0.00 33.22 29.47 2orb n MET 100 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2orb h ASP 101 N 0.17 0.00 -3.66 7.83 2.03 -1.92 -3.47 116.42 117.41 2orb h ASP 101 Ca 0.00 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.87 2orb h ASP 101 Cb 1.00 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.18 2orb h ASP 101 CO 0.11 0.29 -0.79 -0.31 -1.03 0.00 0.00 179.24 177.52 2orb s TYR 102 N -3.12 0.96 0.29 4.15 4.12 -1.26 -5.03 117.35 117.46 2orb s TYR 102 Ca -0.00 -0.27 0.11 0.00 0.02 0.00 0.00 57.07 56.94 2orb s TYR 102 Cb 0.08 -0.72 -0.05 0.00 -1.52 0.00 0.00 41.96 39.75 2orb s TYR 102 CO 0.78 -0.15 -0.18 -1.58 0.02 0.00 0.00 175.55 174.45 2orb s TRP 103 N 0.45 2.32 0.78 2.71 0.52 -1.26 -2.02 118.94 122.44 2orb s TRP 103 Ca -0.07 -0.36 -0.08 0.00 0.02 0.00 0.00 56.10 55.61 2orb s TRP 103 Cb -0.11 -1.07 0.12 0.00 -1.15 0.00 0.00 33.47 31.26 2orb s TRP 103 CO 0.01 0.69 1.10 0.20 0.02 0.00 0.00 176.95 178.97 2orb s GLY 104 N -3.53 1.74 0.08 0.98 0.00 -0.84 -4.60 107.32 101.15 2orb s GLY 104 Ca 0.31 -1.22 0.25 0.00 0.00 0.00 0.00 44.72 44.05 2orb s GLY 104 CO 0.15 -0.67 1.77 0.61 0.00 0.00 0.00 173.10 174.96 2orb n GLN 105 N -3.14 0.09 0.00 2.90 0.00 -1.26 -4.81 117.38 111.15 2orb n GLN 105 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 57.00 57.27 2orb n GLN 105 Cb 0.60 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.22 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 0.96 -0.04 3.43 2.61 0.00 -1.26 -5.05 105.19 105.83 2orb n GLY 106 Ca 0.05 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.11 2.65 -0.09 4.61 0.00 0.57 -4.89 121.76 123.50 2orb s ALA 107 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 2orb s ALA 107 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2orb s ALA 107 CO 0.00 0.42 0.56 0.45 0.00 0.00 0.00 175.76 177.20 2orb s SER 108 N -0.27 6.81 -0.07 0.00 0.15 -1.26 -0.10 113.70 118.96 2orb s SER 108 Ca 0.02 0.97 0.02 0.00 0.70 0.00 0.00 55.95 57.66 2orb s SER 108 Cb -0.13 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 2orb s SER 108 CO 0.03 -0.03 -0.13 -0.69 1.20 0.00 0.00 173.24 173.61 2orb s VAL 109 N 0.62 1.24 -0.12 4.45 1.01 -0.21 -1.32 120.40 126.06 2orb s VAL 109 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2orb s VAL 109 Cb -0.16 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.11 2orb s VAL 109 CO 0.13 0.38 -0.11 -0.89 0.00 0.00 0.00 175.10 174.61 2orb s THR 110 N 0.69 1.28 -0.38 3.92 2.01 -0.78 -0.81 115.64 121.57 2orb s THR 110 Ca -0.14 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 2orb s THR 110 Cb -0.16 -1.23 0.04 0.00 0.01 0.00 0.00 72.50 71.16 2orb s THR 110 CO 0.04 0.41 0.20 -0.69 -0.69 0.00 0.00 174.62 173.88 2orb s VAL 111 N 1.45 4.35 0.09 3.82 1.01 -1.26 -0.90 120.40 128.96 2orb s VAL 111 Ca 0.02 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 2orb s VAL 111 Cb -0.13 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.84 2orb s VAL 111 CO -0.07 -0.28 0.67 -0.55 0.00 0.00 0.00 175.10 174.87 2orb s SER 112 N 1.63 -0.54 0.31 3.32 0.15 -0.67 -4.07 113.70 113.83 2orb s SER 112 Ca 0.01 0.10 0.24 0.00 0.70 0.00 0.00 55.95 57.00 2orb s SER 112 Cb -0.20 0.54 0.43 0.00 -1.71 0.00 0.00 66.02 65.09 2orb s SER 112 CO 0.05 -0.84 1.56 0.77 1.20 0.00 0.00 173.24 175.98 2orb h SER 113 N 2.14 0.00 -3.95 5.45 4.64 -1.95 -3.36 113.55 116.52 2orb h SER 113 Ca -0.30 -0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.45 2orb h SER 113 Cb 1.27 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.49 2orb h SER 113 CO 0.37 0.01 0.69 0.00 -0.87 0.00 0.00 176.83 177.02 2orb n ALA 114 N -1.99 1.98 -2.25 5.18 0.00 -1.26 -5.00 120.51 117.17 2orb n ALA 114 Ca 0.04 0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 2orb n ALA 114 Cb 0.50 -2.39 0.02 0.00 0.00 0.00 0.00 19.45 17.58 2orb n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2orb s LYS 115 N -2.47 2.97 0.27 0.00 3.01 -1.26 -5.02 119.74 117.25 2orb s LYS 115 Ca 0.62 -0.50 -0.30 0.00 -1.01 0.00 0.00 55.97 54.78 2orb s LYS 115 Cb -0.45 -2.53 -0.10 0.00 -1.01 0.00 0.00 37.83 33.74 2orb s LYS 115 CO 0.57 -0.37 1.48 0.99 0.51 0.00 0.00 175.35 178.53 2orb s THR 116 N -2.62 2.47 -0.15 2.17 2.01 -1.26 -4.77 115.64 113.49 2orb s THR 116 Ca 0.50 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.88 2orb s THR 116 Cb -0.10 -3.26 0.05 0.00 0.01 0.00 0.00 72.50 69.20 2orb s THR 116 CO 0.38 0.07 0.03 -0.89 -0.69 0.00 0.00 174.62 173.53 2orb s THR 117 N -0.14 0.38 0.81 -0.82 2.01 0.10 -4.95 115.64 113.03 2orb s THR 117 Ca 0.59 -0.27 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 2orb s THR 117 Cb -0.44 -0.80 0.08 0.00 0.01 0.00 0.00 72.50 71.36 2orb s THR 117 CO 0.46 -0.07 1.12 -2.16 -0.69 0.00 0.00 174.62 173.29 2orb s PRO 118 N 1.94 1.85 0.60 4.92 0.04 -1.26 -0.56 135.00 142.53 2orb s PRO 118 Ca 0.01 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 2orb s PRO 118 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2orb s PRO 118 CO -0.07 -1.98 0.93 -1.25 0.04 0.00 0.00 177.00 174.67 2orb s PRO 119 N -4.67 2.98 -0.19 0.56 0.04 -1.26 -4.48 135.00 127.97 2orb s PRO 119 Ca 0.65 0.12 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 2orb s PRO 119 Cb -0.20 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 2orb s PRO 119 CO 0.55 -0.72 -0.02 -1.12 0.04 0.00 0.00 177.00 175.72 2orb s SER 120 N -4.30 4.65 -0.22 6.66 0.01 -0.58 -4.95 113.70 114.98 2orb s SER 120 Ca 0.54 -0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.53 2orb s SER 120 Cb -0.11 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 2orb s SER 120 CO 0.47 0.07 -0.05 -0.69 0.41 0.00 0.00 173.24 173.45 2orb s VAL 121 N 0.94 3.35 -0.07 3.43 1.01 -1.26 -0.86 120.40 126.94 2orb s VAL 121 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2orb s VAL 121 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2orb s VAL 121 CO 0.01 0.43 -0.18 -0.31 0.00 0.00 0.00 175.10 175.06 2orb s TYR 122 N 1.45 2.64 0.35 5.22 2.02 0.44 -4.95 117.35 124.51 2orb s TYR 122 Ca 0.05 -0.44 -0.25 0.00 -0.37 0.00 0.00 57.07 56.06 2orb s TYR 122 Cb -0.14 -1.67 -0.10 0.00 -0.40 0.00 0.00 41.96 39.66 2orb s TYR 122 CO -0.03 -0.03 0.99 -1.25 -1.57 0.00 0.00 175.55 173.66 2orb s PRO 123 N -0.31 4.44 -0.36 -1.71 0.04 -1.26 -0.14 135.00 135.70 2orb s PRO 123 Ca 0.02 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 2orb s PRO 123 Cb -0.13 -2.72 0.08 0.00 0.04 0.00 0.00 34.50 31.77 2orb s PRO 123 CO 0.03 0.12 0.11 -0.51 0.04 0.00 0.00 177.00 176.79 2orb s LEU 124 N -2.25 4.62 -0.07 -3.56 1.02 0.21 -4.86 118.68 113.80 2orb s LEU 124 Ca 0.53 -1.65 0.01 0.00 0.02 0.00 0.00 54.13 53.03 2orb s LEU 124 Cb -0.20 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2orb s LEU 124 CO 0.26 -0.41 -0.09 0.00 0.02 0.00 0.00 176.35 176.13 2orb s ALA 125 N 1.20 2.87 0.00 4.21 0.00 -1.26 -1.62 121.76 127.16 2orb s ALA 125 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2orb s ALA 125 Cb -0.21 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2orb s ALA 125 CO -0.02 0.52 0.00 -0.35 0.00 0.00 0.00 175.76 175.91 2orb n PRO 126 N 2.43 0.00 0.00 0.00 -0.04 -1.26 -4.99 135.00 131.14 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 -4.36 3.54 2.88 -1.26 -4.80 113.62 109.62 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 1.52 0.02 -1.46 1.00 -1.26 -2.52 119.30 116.60 2orb s MET 135 Ca 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 55.69 53.87 2orb s MET 135 Cb 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 34.83 34.31 2orb s MET 135 CO 0.00 -0.26 -0.06 0.54 0.00 0.00 0.00 175.02 175.24 2orb s VAL 136 N -3.56 0.39 -0.13 -6.03 0.11 0.34 -4.73 120.40 106.79 2orb s VAL 136 Ca 0.37 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 2orb s VAL 136 Cb 0.08 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2orb s VAL 136 CO 0.15 -0.19 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.68 2orb s THR 137 N -0.82 2.75 0.46 5.04 2.01 -1.26 0.21 115.64 124.01 2orb s THR 137 Ca -0.06 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2orb s THR 137 Cb -0.06 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2orb s THR 137 CO -0.00 0.53 0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 2orb s LEU 138 N 0.49 2.51 0.19 4.42 1.43 0.22 -4.54 118.68 123.40 2orb s LEU 138 Ca -0.11 -1.53 -0.23 0.00 -1.03 0.00 0.00 54.13 51.23 2orb s LEU 138 Cb -0.16 -0.75 0.06 0.00 0.03 0.00 0.00 46.19 45.37 2orb s LEU 138 CO 0.05 -0.68 0.95 -0.83 0.23 0.00 0.00 176.35 176.07 2orb s GLY 139 N -3.78 -0.07 -0.00 -3.19 0.00 -0.64 -1.36 107.32 98.28 2orb s GLY 139 Ca 0.20 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.83 2orb s GLY 139 CO 0.10 0.65 -0.08 0.00 0.00 0.00 0.00 173.10 173.77 2orb s LEU 141 N -0.25 3.09 -0.55 0.00 0.20 0.80 -1.30 118.68 120.67 2orb s LEU 141 Ca 0.03 -0.30 -0.04 0.00 0.69 0.00 0.00 54.13 54.50 2orb s LEU 141 Cb -0.03 -1.79 0.14 0.00 -0.43 0.00 0.00 46.19 44.08 2orb s LEU 141 CO -0.00 0.01 0.37 -0.69 -0.29 0.00 0.00 176.35 175.75 2orb s VAL 142 N 1.33 3.72 -0.04 1.68 1.01 0.10 -0.42 120.40 127.78 2orb s VAL 142 Ca 0.04 -2.53 0.02 0.00 0.00 0.00 0.00 61.98 59.51 2orb s VAL 142 Cb -0.14 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2orb s VAL 142 CO -0.00 -0.82 -0.06 -0.75 0.00 0.00 0.00 175.10 173.47 2orb s LYS 143 N 0.47 2.68 -0.78 2.72 2.20 -0.04 -1.33 119.74 125.65 2orb s LYS 143 Ca 0.13 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 2orb s LYS 143 Cb -0.21 -2.57 -0.05 0.00 -1.51 0.00 0.00 37.83 33.49 2orb s LYS 143 CO -0.04 0.64 0.69 0.41 -0.36 0.00 0.00 175.35 176.69 2orb n GLY 144 N 1.91 -0.70 3.48 5.54 0.00 -0.72 -1.53 105.19 113.16 2orb n GLY 144 Ca -0.17 0.38 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.28 2.08 -0.29 1.61 -0.85 -0.13 -4.44 117.35 112.06 2orb s TYR 145 Ca 0.33 -0.86 -0.20 0.00 -0.52 0.00 0.00 57.07 55.82 2orb s TYR 145 Cb -0.04 -1.36 0.15 0.00 0.38 0.00 0.00 41.96 41.08 2orb s TYR 145 CO 0.57 0.14 1.07 0.12 -1.52 0.00 0.00 175.55 175.93 2orb s PHE 146 N -3.13 -0.44 0.00 -3.49 5.36 0.27 -1.07 117.98 115.48 2orb s PHE 146 Ca 0.35 0.95 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 2orb s PHE 146 Cb 0.08 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 2orb s PHE 146 CO 0.16 -0.21 0.00 -0.35 -1.46 0.00 0.00 175.22 173.35 2orb n PRO 147 N 2.92 1.06 -1.90 10.12 -0.04 -1.26 0.03 135.00 145.92 2orb n PRO 147 Ca -0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 2orb n PRO 147 Cb 0.57 0.00 0.01 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 -1.44 3.44 0.18 0.54 2.02 -1.26 -4.77 118.70 117.40 2orb s GLU 148 Ca 0.00 0.90 0.01 0.00 0.02 0.00 0.00 54.97 55.90 2orb s GLU 148 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.18 2orb s GLU 148 CO 0.00 -0.70 0.09 -0.35 0.02 0.00 0.00 175.26 174.32 2orb n PRO 149 N -2.57 1.35 -4.20 0.39 -0.04 -1.26 -4.98 135.00 123.70 2orb n PRO 149 Ca 0.07 -1.18 -0.12 0.00 -0.04 0.00 0.00 63.50 62.23 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 -1.16 0.77 0.08 0.52 -7.23 -1.26 -4.47 120.40 107.64 2orb s VAL 150 Ca 0.07 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 2orb s VAL 150 Cb -0.01 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2orb s VAL 150 CO 0.04 -0.77 -0.18 0.42 -0.31 0.00 0.00 175.10 174.30 2orb s THR 151 N -3.58 1.46 -0.00 5.32 -4.23 -0.90 -4.99 115.64 108.72 2orb s THR 151 Ca 0.15 -1.36 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 2orb s THR 151 Cb 0.05 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2orb s THR 151 CO -0.02 -0.07 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.14 2orb s VAL 152 N -1.11 1.28 0.02 2.29 1.01 -1.26 -2.21 120.40 120.42 2orb s VAL 152 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2orb s VAL 152 Cb -0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2orb s VAL 152 CO 0.03 0.30 -0.04 -0.89 0.00 0.00 0.00 175.10 174.50 2orb s THR 153 N -0.47 0.22 -0.21 3.92 2.01 -0.06 -4.95 115.64 116.10 2orb s THR 153 Ca 0.06 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2orb s THR 153 Cb -0.07 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 2orb s THR 153 CO -0.00 -0.35 -0.09 0.26 -0.69 0.00 0.00 174.62 173.75 2orb s TRP 154 N -1.11 2.91 -1.18 4.92 0.52 -1.26 0.29 118.94 124.02 2orb s TRP 154 Ca -0.11 -1.13 -0.00 0.00 0.02 0.00 0.00 56.10 54.88 2orb s TRP 154 Cb -0.08 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.19 2orb s TRP 154 CO -0.00 -0.62 0.99 0.09 0.02 0.00 0.00 176.95 177.42 2orb n ASN 155 N 4.73 -2.19 -0.03 2.95 4.13 0.19 -2.09 115.26 122.95 2orb n ASN 155 Ca -0.19 -0.62 -0.00 0.00 1.68 0.00 0.00 54.58 55.45 2orb n ASN 155 Cb 0.51 -5.08 -0.00 0.00 -1.54 0.00 0.00 39.78 33.66 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 -3.11 -5.95 0.00 6.41 7.64 -1.26 -0.92 113.62 116.43 2orb n SER 156 Ca -0.28 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2orb n SER 156 Cb 0.67 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 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 0.97 0.88 0.37 0.23 0.00 -1.02 -4.98 105.19 101.64 2orb n GLY 157 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.80 -3.05 1.61 0.02 -1.00 -3.35 113.55 106.98 2orb h SER 158 Ca 0.00 0.04 -0.56 0.00 -0.84 0.00 0.00 61.79 60.42 2orb h SER 158 Cb 0.00 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 2orb h SER 158 CO 0.00 -0.54 1.13 -0.76 -1.14 0.00 0.00 176.83 175.52 2orb s LEU 159 N -10.08 3.53 -0.00 5.07 2.01 -0.89 -4.75 118.68 113.57 2orb s LEU 159 Ca -0.17 0.84 0.01 0.00 0.01 0.00 0.00 54.13 54.81 2orb s LEU 159 Cb 0.04 -3.44 -0.01 0.00 0.01 0.00 0.00 46.19 42.79 2orb s LEU 159 CO 0.62 -1.56 0.01 -1.54 1.01 0.00 0.00 176.35 174.89 2orb n SER 160 N 9.38 4.87 -4.78 2.29 3.41 -1.26 -4.22 113.62 123.32 2orb n SER 160 Ca 0.18 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.54 2orb n SER 160 Cb 0.48 0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 65.21 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 -2.43 5.36 -0.39 4.04 1.04 -1.26 -4.45 113.70 115.62 2orb s SER 161 Ca -0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2orb s SER 161 Cb 0.00 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2orb s SER 161 CO 0.02 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2orb n GLY 162 N -0.60 0.58 3.64 7.32 0.00 -1.26 -4.71 105.19 110.17 2orb n GLY 162 Ca -0.08 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.15 4.00 -0.12 1.61 1.01 -1.26 -0.58 120.40 122.91 2orb s VAL 163 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2orb s VAL 163 Cb 0.00 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.72 2orb s VAL 163 CO 0.00 0.50 0.05 -1.00 0.00 0.00 0.00 175.10 174.65 2orb s HIS 164 N -0.94 0.45 -0.23 5.22 3.76 -0.04 -5.00 115.29 118.50 2orb s HIS 164 Ca 0.16 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.78 2orb s HIS 164 Cb -0.11 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.84 2orb s HIS 164 CO 0.05 -0.41 -0.04 0.99 -0.85 0.00 0.00 174.74 174.48 2orb s THR 165 N 2.05 3.28 0.25 1.30 2.01 -1.26 -0.45 115.64 122.82 2orb s THR 165 Ca 0.03 -0.62 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 2orb s THR 165 Cb -0.14 -2.54 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 2orb s THR 165 CO -0.06 0.36 0.79 -0.36 -0.69 0.00 0.00 174.62 174.65 2orb s PHE 166 N 1.45 3.66 0.37 4.92 0.40 -0.92 -5.02 117.98 122.84 2orb s PHE 166 Ca 0.05 1.50 -0.27 0.00 -0.60 0.00 0.00 56.93 57.60 2orb s PHE 166 Cb -0.15 -2.70 -0.11 0.00 0.51 0.00 0.00 43.02 40.56 2orb s PHE 166 CO -0.03 0.30 1.31 -2.30 0.70 0.00 0.00 175.22 175.19 2orb n PRO 167 N 0.68 2.13 -1.95 0.24 -0.02 -1.26 -4.42 135.00 130.41 2orb n PRO 167 Ca -0.01 0.75 -0.36 0.00 -2.02 0.00 0.00 63.50 61.85 2orb n PRO 167 Cb 0.51 -2.38 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.13 2.55 -0.01 3.55 0.00 -1.26 -4.82 121.76 120.65 2orb s ALA 168 Ca 0.57 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.65 2orb s ALA 168 Cb -0.54 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.09 2orb s ALA 168 CO 0.61 -1.25 -0.13 0.08 0.00 0.00 0.00 175.76 175.07 2orb s VAL 169 N -1.52 1.04 -0.14 0.00 1.01 -0.46 -4.93 120.40 115.40 2orb s VAL 169 Ca 0.77 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2orb s VAL 169 Cb -0.33 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2orb s VAL 169 CO 0.36 0.27 1.13 -0.22 0.00 0.00 0.00 175.10 176.64 2orb s LEU 170 N -0.38 4.20 -0.62 3.92 2.96 -1.26 -1.75 118.68 125.74 2orb s LEU 170 Ca 0.05 1.60 0.05 0.00 -0.22 0.00 0.00 54.13 55.61 2orb s LEU 170 Cb -0.05 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.25 2orb s LEU 170 CO -0.00 -0.63 0.43 -1.58 -1.32 0.00 0.00 176.35 173.25 2orb s GLN 171 N 2.78 2.04 -0.42 1.98 2.00 0.46 -4.88 119.66 123.63 2orb s GLN 171 Ca 0.51 -2.97 -0.01 0.00 -2.00 0.00 0.00 55.36 50.89 2orb s GLN 171 Cb -0.20 -2.94 0.00 0.00 0.80 0.00 0.00 33.01 30.67 2orb s GLN 171 CO 0.15 -1.29 0.40 0.43 -0.50 0.00 0.00 175.29 174.48 2orb n SER 172 N 2.31 -5.37 0.00 6.67 7.64 -1.26 -3.36 113.62 120.25 2orb n SER 172 Ca 0.20 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2orb n SER 172 Cb 0.37 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.07 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 -1.38 0.00 -4.34 6.43 8.00 -1.26 -4.93 116.55 119.07 2orb n ASP 173 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 2orb n ASP 173 Cb 0.49 -1.61 -0.13 0.00 -0.02 0.00 0.00 41.12 39.85 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 2.30 0.12 0.64 1.43 -1.21 -4.94 118.68 117.01 2orb s LEU 174 Ca 0.00 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 2orb s LEU 174 Cb 0.00 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 2orb s LEU 174 CO 0.00 0.14 0.33 -0.31 0.23 0.00 0.00 176.35 176.74 2orb s TYR 175 N -1.07 3.49 -0.06 0.29 2.02 -0.23 0.18 117.35 121.96 2orb s TYR 175 Ca 0.11 0.48 -0.09 0.00 -0.37 0.00 0.00 57.07 57.20 2orb s TYR 175 Cb -0.10 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2orb s TYR 175 CO 0.05 0.47 0.24 0.95 -1.57 0.00 0.00 175.55 175.69 2orb s THR 176 N -1.62 0.02 0.26 -0.71 -4.23 -0.72 -0.95 115.64 107.70 2orb s THR 176 Ca 0.39 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.58 2orb s THR 176 Cb -0.12 -0.41 -0.00 0.00 1.34 0.00 0.00 72.50 73.31 2orb s THR 176 CO 0.25 -0.11 0.50 -1.48 -0.54 0.00 0.00 174.62 173.24 2orb s LEU 177 N -0.38 0.35 0.22 4.79 0.05 -0.45 -1.36 118.68 121.91 2orb s LEU 177 Ca -0.05 -0.98 -0.01 0.00 0.05 0.00 0.00 54.13 53.14 2orb s LEU 177 Cb -0.03 1.81 -0.03 0.00 -2.05 0.00 0.00 46.19 45.88 2orb s LEU 177 CO 0.01 -1.18 0.19 -0.94 -0.55 0.00 0.00 176.35 173.87 2orb s SER 178 N -3.04 0.30 -0.08 1.48 1.04 -1.26 -0.72 113.70 111.42 2orb s SER 178 Ca 0.23 -1.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.17 2orb s SER 178 Cb -0.01 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.56 2orb s SER 178 CO 0.10 -0.90 0.27 -0.55 0.98 0.00 0.00 173.24 173.14 2orb s SER 179 N -3.17 -0.25 0.12 7.02 0.15 -0.42 -2.17 113.70 114.98 2orb s SER 179 Ca 0.37 0.44 0.08 0.00 0.70 0.00 0.00 55.95 57.54 2orb s SER 179 Cb 0.06 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 2orb s SER 179 CO 0.13 -0.16 -0.19 -0.94 1.20 0.00 0.00 173.24 173.29 2orb s SER 180 N -0.16 2.41 -0.01 5.45 1.04 0.41 -0.26 113.70 122.58 2orb s SER 180 Ca -0.03 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2orb s SER 180 Cb -0.03 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.97 2orb s SER 180 CO 0.01 -0.00 -0.00 0.54 0.98 0.00 0.00 173.24 174.76 2orb s VAL 181 N -1.50 0.09 -0.12 5.02 0.11 -0.46 -0.87 120.40 122.67 2orb s VAL 181 Ca 0.08 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2orb s VAL 181 Cb -0.08 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 2orb s VAL 181 CO 0.04 0.05 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.89 2orb s THR 182 N 0.26 3.46 0.08 5.04 2.01 0.26 -0.61 115.64 126.14 2orb s THR 182 Ca -0.02 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 2orb s THR 182 Cb -0.04 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2orb s THR 182 CO -0.01 0.53 0.01 0.68 -0.69 0.00 0.00 174.62 175.15 2orb s VAL 183 N 0.04 0.17 0.34 3.82 -7.23 0.13 -4.72 120.40 112.96 2orb s VAL 183 Ca -0.02 -1.82 -0.27 0.00 -1.81 0.00 0.00 61.98 58.05 2orb s VAL 183 Cb -0.14 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 2orb s VAL 183 CO 0.04 -0.79 1.16 -2.16 -0.31 0.00 0.00 175.10 173.04 2orb s PRO 184 N -3.97 4.35 0.41 4.82 0.04 -1.26 0.13 135.00 139.51 2orb s PRO 184 Ca 0.13 1.87 0.24 0.00 0.04 0.00 0.00 61.00 63.28 2orb s PRO 184 Cb 0.08 -2.94 1.28 0.00 0.04 0.00 0.00 34.50 32.96 2orb s PRO 184 CO -0.06 -0.07 1.67 0.77 0.04 0.00 0.00 177.00 179.34 2orb h SER 185 N 3.22 0.35 -1.01 6.66 0.02 -1.76 0.39 113.55 121.43 2orb h SER 185 Ca -0.48 0.14 0.22 0.00 -0.84 0.00 0.00 61.79 60.83 2orb h SER 185 Cb 1.22 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 63.76 2orb h SER 185 CO 0.65 -0.12 0.62 0.28 -1.14 0.00 0.00 176.83 177.11 2orb h SER 186 N 0.20 0.67 -0.04 3.07 0.02 -1.90 -2.87 113.55 112.70 2orb h SER 186 Ca 0.75 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 61.64 2orb h SER 186 Cb 2.12 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 64.67 2orb h SER 186 CO -0.44 0.18 -0.60 0.74 -1.14 0.00 0.00 176.83 175.57 2orb h THR 187 N 0.61 1.39 -4.17 -2.27 2.02 -0.56 -3.41 112.91 106.52 2orb h THR 187 Ca 0.60 -1.99 -0.51 0.00 0.77 0.00 0.00 66.41 65.28 2orb h THR 187 Cb 1.14 2.40 -0.27 0.00 -1.74 0.00 0.00 68.15 69.68 2orb h THR 187 CO -0.39 0.59 -0.82 0.86 0.37 0.00 0.00 175.52 176.14 2orb s TRP 188 N -3.42 1.45 -2.06 3.16 -0.00 -1.08 0.13 118.94 117.11 2orb s TRP 188 Ca -0.13 -0.32 0.20 0.00 -0.00 0.00 0.00 56.10 55.86 2orb s TRP 188 Cb 0.05 -0.89 1.10 0.00 -0.00 0.00 0.00 33.47 33.73 2orb s TRP 188 CO 0.83 0.02 1.72 -0.35 -0.00 0.00 0.00 176.95 179.18 2orb n PRO 189 N 2.26 1.14 -0.28 5.86 -0.04 -1.26 -4.66 135.00 138.02 2orb n PRO 189 Ca -0.16 -0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.00 2orb n PRO 189 Cb 0.54 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.44 -1.60 -2.60 3.54 0.02 -1.78 -3.41 113.55 108.17 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 0.10 0.70 0.09 0.00 0.14 0.00 0.00 62.40 63.43 2orb h SER 190 CO 0.00 -0.20 0.16 -1.61 -1.14 0.00 0.00 176.83 174.05 2orb s GLU 191 N -4.90 1.58 -0.14 3.45 2.02 0.12 -5.08 118.70 115.74 2orb s GLU 191 Ca -0.09 -0.92 -0.07 0.00 0.02 0.00 0.00 54.97 53.91 2orb s GLU 191 Cb 0.08 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 2orb s GLU 191 CO 0.47 -1.56 0.11 0.95 0.02 0.00 0.00 175.26 175.25 2orb s THR 192 N -3.26 5.26 -0.11 3.63 -4.23 -1.26 -4.69 115.64 110.98 2orb s THR 192 Ca 0.67 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 2orb s THR 192 Cb -0.06 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.47 2orb s THR 192 CO 0.45 0.56 -0.21 -0.69 -0.54 0.00 0.00 174.62 174.20 2orb s VAL 193 N -0.56 1.91 -0.00 2.29 1.01 -1.26 -5.04 120.40 118.74 2orb s VAL 193 Ca 0.12 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2orb s VAL 193 Cb -0.12 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 2orb s VAL 193 CO 0.02 0.52 -0.03 0.28 0.00 0.00 0.00 175.10 175.89 2orb s THR 194 N 0.63 0.27 -0.06 3.92 -1.32 -1.26 0.26 115.64 118.07 2orb s THR 194 Ca -0.13 -0.14 -0.03 0.00 -1.21 0.00 0.00 61.69 60.18 2orb s THR 194 Cb -0.16 -0.24 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 2orb s THR 194 CO 0.03 0.08 0.09 0.00 -2.21 0.00 0.00 174.62 172.61 2orb s ASN 196 N -1.31 5.15 -0.11 0.00 -0.87 0.84 -2.05 114.94 116.58 2orb s ASN 196 Ca 0.18 -0.65 -0.02 0.00 -1.57 0.00 0.00 52.86 50.81 2orb s ASN 196 Cb -0.12 -1.89 -0.03 0.00 -0.02 0.00 0.00 41.25 39.19 2orb s ASN 196 CO 0.08 -0.18 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.71 2orb s VAL 197 N 1.52 3.97 -0.04 1.60 1.01 -0.33 -0.88 120.40 127.24 2orb s VAL 197 Ca 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2orb s VAL 197 Cb -0.17 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2orb s VAL 197 CO 0.03 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.63 2orb s ALA 198 N -0.39 0.70 -0.49 5.51 0.00 -0.94 -1.40 121.76 124.75 2orb s ALA 198 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.93 2orb s ALA 198 Cb -0.12 -0.37 0.14 0.00 0.00 0.00 0.00 23.12 22.77 2orb s ALA 198 CO 0.02 0.04 0.30 -1.58 0.00 0.00 0.00 175.76 174.54 2orb s HIS 199 N 0.66 2.35 0.25 0.00 2.46 -0.85 -2.12 115.29 118.04 2orb s HIS 199 Ca -0.09 -2.69 -0.07 0.00 0.47 0.00 0.00 55.06 52.68 2orb s HIS 199 Cb -0.12 -2.07 0.45 0.00 -0.13 0.00 0.00 32.58 30.71 2orb s HIS 199 CO 0.00 -0.74 1.62 -1.35 -2.47 0.00 0.00 174.74 171.81 2orb h PRO 200 N 6.35 0.08 -1.02 2.88 0.11 -1.79 -1.45 132.00 137.17 2orb h PRO 200 Ca 0.04 -0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.40 2orb h PRO 200 Cb 0.89 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.90 2orb h PRO 200 CO 0.54 0.05 0.67 0.00 -0.21 0.00 0.00 178.00 179.05 2orb h ALA 201 N 1.74 2.29 -0.30 -0.75 0.00 -1.91 0.55 119.26 120.87 2orb h ALA 201 Ca 0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2orb h ALA 201 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2orb h ALA 201 CO -0.71 -0.66 0.00 -1.13 0.00 0.00 0.00 179.25 176.75 2orb n SER 202 N -4.57 3.34 -0.03 0.00 3.41 -0.63 -4.94 113.62 110.20 2orb n SER 202 Ca 0.24 -2.46 -0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2orb n SER 202 Cb 0.86 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.03 -4.43 -4.76 4.04 7.64 0.18 -4.90 113.62 111.42 2orb n SER 203 Ca 0.16 0.01 -0.38 0.00 1.01 0.00 0.00 58.87 59.67 2orb n SER 203 Cb 0.63 -2.74 0.02 0.00 -1.01 0.00 0.00 64.21 61.11 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 -0.78 2.56 -0.28 0.44 2.01 -0.91 -4.91 115.64 113.77 2orb s THR 204 Ca 0.00 0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 2orb s THR 204 Cb 0.00 -3.21 0.16 0.00 0.01 0.00 0.00 72.50 69.45 2orb s THR 204 CO 0.00 -0.00 0.57 -0.54 -0.69 0.00 0.00 174.62 173.96 2orb s LYS 205 N -2.79 0.52 0.06 4.92 1.02 -1.26 -2.02 119.74 120.21 2orb s LYS 205 Ca 0.67 1.10 0.02 0.00 0.02 0.00 0.00 55.97 57.78 2orb s LYS 205 Cb -0.35 0.51 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 2orb s LYS 205 CO 0.42 -0.46 -0.07 0.14 -0.92 0.00 0.00 175.35 174.46 2orb s VAL 206 N 2.81 0.58 -0.11 3.17 -7.23 -0.49 -5.01 120.40 114.12 2orb s VAL 206 Ca 0.10 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2orb s VAL 206 Cb -0.14 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.74 2orb s VAL 206 CO -0.19 -0.61 -0.12 -1.81 -0.31 0.00 0.00 175.10 172.06 2orb s ASP 207 N -2.23 2.27 -0.16 4.85 1.11 -1.26 -1.19 116.67 120.06 2orb s ASP 207 Ca -0.01 -0.37 0.01 0.00 0.18 0.00 0.00 52.55 52.36 2orb s ASP 207 Cb -0.03 -0.97 0.00 0.00 1.07 0.00 0.00 42.92 42.99 2orb s ASP 207 CO -0.02 -0.04 -0.17 -0.75 1.18 0.00 0.00 175.17 175.37 2orb s LYS 208 N 1.27 3.15 0.19 8.23 2.47 -0.87 -4.97 119.74 129.20 2orb s LYS 208 Ca -0.02 -0.78 -0.24 0.00 -1.56 0.00 0.00 55.97 53.38 2orb s LYS 208 Cb -0.14 -2.59 -0.08 0.00 -1.46 0.00 0.00 37.83 33.56 2orb s LYS 208 CO -0.05 -0.03 0.76 0.15 0.16 0.00 0.00 175.35 176.35 2orb s LYS 209 N 0.90 4.47 -0.65 4.03 1.02 -1.26 -1.80 119.74 126.45 2orb s LYS 209 Ca -0.04 1.08 -0.19 0.00 0.02 0.00 0.00 55.97 56.84 2orb s LYS 209 Cb -0.15 -3.13 0.12 0.00 -0.52 0.00 0.00 37.83 34.15 2orb s LYS 209 CO -0.02 0.51 0.75 0.42 -0.92 0.00 0.00 175.35 176.09 2orb s ILE 210 N -1.28 4.87 -0.12 2.17 -1.09 0.14 -4.81 121.20 121.09 2orb s ILE 210 Ca 0.38 -1.17 -0.03 0.00 -2.23 0.00 0.00 60.65 57.60 2orb s ILE 210 Cb -0.21 -4.52 -0.03 0.00 -1.58 0.00 0.00 42.46 36.12 2orb s ILE 210 CO 0.24 -1.16 0.01 -0.69 -1.23 0.00 0.00 174.94 172.11 2orb s VAL 211 N 2.49 4.33 0.73 2.92 1.01 -1.26 -4.53 120.40 126.09 2orb s VAL 211 Ca 0.14 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2orb s VAL 211 Cb -0.21 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.35 2orb s VAL 211 CO 0.03 0.56 1.15 -2.16 0.00 0.00 0.00 175.10 174.68 2orb s PRO 212 N -0.44 2.25 0.05 2.72 0.04 -1.26 -4.81 135.00 133.54 2orb s PRO 212 Ca 0.08 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2orb s PRO 212 Cb -0.12 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2orb s PRO 212 CO 0.02 -1.70 0.39 1.03 0.04 0.00 0.00 177.00 176.77 2orb s ARG 213 N -4.20 3.78 0.00 4.56 0.52 -1.26 -5.16 118.95 117.20 2orb s ARG 213 Ca 0.69 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 2orb s ARG 213 Cb -0.24 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.16 2orb s ARG 213 CO 0.47 0.61 0.00 -0.25 0.02 0.00 0.00 175.30 176.15