#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9s n ALA 2 N 0.00 0.00 -0.04 -2.53 0.00 -1.26 -4.91 120.51 111.77 3h9s n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h9s n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3h9s n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h9s n GLY 3 N -0.83 -1.38 3.68 0.00 0.00 -1.26 -4.71 105.19 100.69 3h9s n GLY 3 Ca 0.00 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 3h9s n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h9s s VAL 4 N 0.00 4.89 0.17 1.61 1.01 -1.26 -2.94 120.40 123.88 3h9s s VAL 4 Ca 0.00 1.71 0.06 0.00 0.00 0.00 0.00 61.98 63.76 3h9s s VAL 4 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3h9s s VAL 4 CO 0.00 0.07 0.04 0.42 0.00 0.00 0.00 175.10 175.63 3h9s s THR 5 N 1.78 3.96 -0.21 3.92 -4.23 -0.47 -4.42 115.64 115.97 3h9s s THR 5 Ca 0.41 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.50 3h9s s THR 5 Cb -0.17 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.74 3h9s s THR 5 CO 0.16 -0.09 0.52 0.00 -0.54 0.00 0.00 174.62 174.67 3h9s s GLN 6 N -2.95 0.52 0.02 3.99 -2.07 -1.26 -2.08 119.66 115.84 3h9s s GLN 6 Ca 0.28 0.96 0.05 0.00 -1.82 0.00 0.00 55.36 54.83 3h9s s GLN 6 Cb -0.10 0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 31.86 3h9s s GLN 6 CO 0.20 -0.15 -0.16 -0.08 -1.32 0.00 0.00 175.29 173.78 3h9s s THR 7 N 1.44 1.25 0.71 3.63 -1.32 -1.17 -4.49 115.64 115.69 3h9s s THR 7 Ca -0.09 -0.93 -0.06 0.00 -1.21 0.00 0.00 61.69 59.39 3h9s s THR 7 Cb -0.07 -1.09 0.07 0.00 -1.51 0.00 0.00 72.50 69.90 3h9s s THR 7 CO -0.15 0.15 1.01 -2.16 -2.21 0.00 0.00 174.62 171.26 3h9s s PRO 8 N -0.90 2.14 0.05 7.08 0.04 -1.26 -2.14 135.00 140.00 3h9s s PRO 8 Ca 0.04 -0.32 -0.15 0.00 0.04 0.00 0.00 61.00 60.61 3h9s s PRO 8 Cb -0.07 -2.18 -0.31 0.00 0.04 0.00 0.00 34.50 31.97 3h9s s PRO 8 CO 0.01 -1.26 1.07 0.87 0.04 0.00 0.00 177.00 177.73 3h9s h LYS 9 N -0.60 0.61 -5.73 4.56 1.57 -1.79 -3.40 116.57 111.80 3h9s h LYS 9 Ca -0.44 -0.87 -0.49 0.00 -1.87 0.00 0.00 60.65 56.98 3h9s h LYS 9 Cb 1.31 0.30 -0.22 0.00 0.08 0.00 0.00 32.23 33.70 3h9s h LYS 9 CO 0.58 1.41 -0.80 -0.06 -0.57 0.00 0.00 179.45 180.01 3h9s s PHE 10 N -2.87 1.49 -0.18 -1.35 0.08 -1.26 0.76 117.98 114.66 3h9s s PHE 10 Ca -0.09 -0.43 -0.13 0.00 0.12 0.00 0.00 56.93 56.40 3h9s s PHE 10 Cb 0.05 -0.83 0.05 0.00 -0.57 0.00 0.00 43.02 41.72 3h9s s PHE 10 CO 0.94 0.12 0.46 -1.14 -0.10 0.00 0.00 175.22 175.50 3h9s s GLN 11 N -1.73 0.49 -0.10 0.44 2.00 -0.04 -4.90 119.66 115.82 3h9s s GLN 11 Ca 0.02 0.75 -0.02 0.00 -2.00 0.00 0.00 55.36 54.12 3h9s s GLN 11 Cb -0.10 0.13 -0.03 0.00 0.80 0.00 0.00 33.01 33.82 3h9s s GLN 11 CO 0.03 -0.11 -0.02 0.08 -0.50 0.00 0.00 175.29 174.76 3h9s s VAL 12 N 0.84 4.07 0.06 1.34 1.01 -1.26 -0.23 120.40 126.22 3h9s s VAL 12 Ca -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3h9s s VAL 12 Cb -0.06 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3h9s s VAL 12 CO -0.07 0.58 -0.08 -0.76 0.00 0.00 0.00 175.10 174.78 3h9s s LEU 13 N -0.61 2.32 0.34 3.92 1.43 -0.39 -4.96 118.68 120.73 3h9s s LEU 13 Ca 0.10 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3h9s s LEU 13 Cb -0.12 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.93 3h9s s LEU 13 CO 0.02 -0.27 0.55 -1.59 0.23 0.00 0.00 176.35 175.29 3h9s s LYS 14 N -2.12 3.50 0.11 1.70 -2.85 -1.26 -0.68 119.74 118.13 3h9s s LYS 14 Ca -0.05 -0.31 -0.34 0.00 -1.00 0.00 0.00 55.97 54.28 3h9s s LYS 14 Cb -0.06 -2.66 -0.13 0.00 -2.06 0.00 0.00 37.83 32.91 3h9s s LYS 14 CO -0.01 0.16 1.65 2.41 0.10 0.00 0.00 175.35 179.66 3h9s n THR 15 N -1.70 0.14 0.00 3.79 -1.04 -0.97 -2.13 114.28 112.36 3h9s n THR 15 Ca -0.05 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3h9s n THR 15 Cb 0.56 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 3h9s n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h9s n GLY 16 N 3.65 1.97 3.78 3.41 0.00 -0.57 -4.94 105.19 112.48 3h9s n GLY 16 Ca 0.18 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3h9s n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h9s s GLN 17 N 0.00 3.35 0.01 1.61 -0.21 -0.91 -4.13 119.66 119.39 3h9s s GLN 17 Ca 0.00 1.51 0.03 0.00 0.02 0.00 0.00 55.36 56.92 3h9s s GLN 17 Cb 0.00 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 3h9s s GLN 17 CO 0.00 -0.83 -0.03 -1.54 -2.12 0.00 0.00 175.29 170.77 3h9s s SER 18 N -1.98 4.88 0.07 5.90 1.04 -1.26 -1.44 113.70 120.92 3h9s s SER 18 Ca 0.70 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.94 3h9s s SER 18 Cb -0.22 -1.20 0.01 0.00 0.10 0.00 0.00 66.02 64.71 3h9s s SER 18 CO 0.28 0.27 0.23 0.00 0.98 0.00 0.00 173.24 175.01 3h9s s MET 19 N -1.58 0.83 -0.01 4.02 0.23 -1.02 -5.02 119.30 116.75 3h9s s MET 19 Ca 0.19 -0.78 0.05 0.00 -1.03 0.00 0.00 55.69 54.12 3h9s s MET 19 Cb -0.11 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 3h9s s MET 19 CO 0.10 -0.27 -0.15 0.95 -2.03 0.00 0.00 175.02 173.62 3h9s s THR 20 N -3.36 3.01 -0.21 3.16 -4.23 -1.26 -0.99 115.64 111.75 3h9s s THR 20 Ca 0.01 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.54 3h9s s THR 20 Cb 0.02 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3h9s s THR 20 CO -0.08 0.48 0.07 -0.76 -0.54 0.00 0.00 174.62 173.78 3h9s s LEU 21 N -1.06 3.67 0.34 4.79 1.43 -0.34 -4.87 118.68 122.64 3h9s s LEU 21 Ca 0.13 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 3h9s s LEU 21 Cb -0.11 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 3h9s s LEU 21 CO 0.03 0.08 0.78 -1.10 0.23 0.00 0.00 176.35 176.38 3h9s s GLN 22 N 0.91 4.06 -0.10 1.70 -1.52 -0.91 -1.35 119.66 122.44 3h9s s GLN 22 Ca 0.04 0.77 -0.10 0.00 -1.95 0.00 0.00 55.36 54.12 3h9s s GLN 22 Cb -0.14 -2.39 0.03 0.00 -0.22 0.00 0.00 33.01 30.29 3h9s s GLN 22 CO 0.03 0.12 0.29 0.00 -0.25 0.00 0.00 175.29 175.47 3h9s s ALA 24 N -0.00 0.40 -0.28 0.00 0.00 -0.88 -1.96 121.76 119.04 3h9s s ALA 24 Ca -0.01 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 3h9s s ALA 24 Cb -0.02 1.04 0.12 0.00 0.00 0.00 0.00 23.12 24.26 3h9s s ALA 24 CO 0.01 -0.65 0.60 -1.14 0.00 0.00 0.00 175.76 174.58 3h9s s GLN 25 N -4.04 0.52 0.03 0.00 -0.44 -1.02 -1.36 119.66 113.35 3h9s s GLN 25 Ca 0.25 1.34 0.26 0.00 -2.50 0.00 0.00 55.36 54.72 3h9s s GLN 25 Cb 0.04 0.74 0.74 0.00 -1.64 0.00 0.00 33.01 32.89 3h9s s GLN 25 CO 0.05 -0.23 1.59 -3.47 0.50 0.00 0.00 175.29 173.73 3h9s n ASP 26 N 5.44 0.39 -0.77 6.67 2.03 -1.15 -4.47 116.55 124.69 3h9s n ASP 26 Ca -0.11 0.09 0.07 0.00 0.52 0.00 0.00 54.79 55.37 3h9s n ASP 26 Cb 0.49 -0.07 0.15 0.00 -0.72 0.00 0.00 41.12 40.98 3h9s n ASP 26 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3h9s n MET 27 N -1.63 2.20 -2.95 -0.67 2.81 -1.26 -4.20 117.12 111.41 3h9s n MET 27 Ca 0.06 -1.94 -0.21 0.00 -1.81 0.00 0.00 57.70 53.81 3h9s n MET 27 Cb 0.36 -1.33 0.03 0.00 -0.71 0.00 0.00 33.22 31.57 3h9s n MET 27 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h9s n ASN 28 N 0.86 -5.78 -4.75 7.83 4.13 -1.26 -4.99 115.26 111.30 3h9s n ASN 28 Ca 0.13 -0.26 -0.41 0.00 1.68 0.00 0.00 54.58 55.72 3h9s n ASN 28 Cb 0.45 -4.60 -0.05 0.00 -1.54 0.00 0.00 39.78 34.04 3h9s n ASN 28 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3h9s s HIS 29 N -3.13 3.70 0.02 3.10 3.76 -1.26 -4.91 115.29 116.57 3h9s s HIS 29 Ca 0.28 1.72 0.15 0.00 -0.15 0.00 0.00 55.06 57.06 3h9s s HIS 29 Cb -0.12 -3.19 0.26 0.00 1.11 0.00 0.00 32.58 30.64 3h9s s HIS 29 CO 0.34 -0.27 1.53 0.93 -0.85 0.00 0.00 174.74 176.43 3h9s h GLU 30 N 4.51 0.00 -4.83 1.40 5.08 -1.53 -3.46 114.58 115.76 3h9s h GLU 30 Ca -0.45 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.23 3h9s h GLU 30 Cb 1.21 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.12 3h9s h GLU 30 CO 0.70 0.53 -0.74 -0.47 -1.00 0.00 0.00 179.01 178.02 3h9s s TYR 31 N -3.18 3.23 -0.05 4.33 6.14 -0.64 -2.57 117.35 124.59 3h9s s TYR 31 Ca 0.02 -1.98 0.05 0.00 0.64 0.00 0.00 57.07 55.80 3h9s s TYR 31 Cb 0.09 -2.04 -0.01 0.00 0.42 0.00 0.00 41.96 40.43 3h9s s TYR 31 CO 0.74 -0.82 -0.22 -1.64 0.64 0.00 0.00 175.55 174.25 3h9s s MET 32 N 1.21 2.24 0.16 4.97 -1.94 -0.87 0.36 119.30 125.43 3h9s s MET 32 Ca -0.06 -0.78 0.08 0.00 -1.71 0.00 0.00 55.69 53.22 3h9s s MET 32 Cb -0.19 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 3h9s s MET 32 CO -0.03 0.33 -0.17 -1.12 -0.01 0.00 0.00 175.02 174.02 3h9s s SER 33 N -0.08 2.54 -0.11 3.03 0.01 0.21 -1.44 113.70 117.87 3h9s s SER 33 Ca -0.04 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 56.37 3h9s s SER 33 Cb -0.13 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 65.96 3h9s s SER 33 CO 0.03 -0.07 -0.21 0.26 0.41 0.00 0.00 173.24 173.66 3h9s s TRP 34 N -2.20 2.64 0.22 2.43 0.52 -0.71 -0.65 118.94 121.18 3h9s s TRP 34 Ca 0.15 -0.92 0.10 0.00 0.02 0.00 0.00 56.10 55.46 3h9s s TRP 34 Cb -0.05 -1.75 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 3h9s s TRP 34 CO 0.06 -0.35 -0.18 0.71 0.02 0.00 0.00 176.95 177.21 3h9s s TYR 35 N 0.33 2.00 0.09 -1.98 1.51 -0.22 -0.75 117.35 118.33 3h9s s TYR 35 Ca -0.16 -0.44 0.10 0.00 -1.01 0.00 0.00 57.07 55.55 3h9s s TYR 35 Cb -0.17 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 3h9s s TYR 35 CO 0.08 0.50 -0.24 -0.98 -1.11 0.00 0.00 175.55 173.80 3h9s s ARG 36 N -3.33 1.68 -0.10 -0.62 1.70 -0.61 -0.87 118.95 116.81 3h9s s ARG 36 Ca 0.24 -1.20 0.04 0.00 -0.47 0.00 0.00 55.73 54.34 3h9s s ARG 36 Cb -0.04 -2.00 -0.00 0.00 -0.57 0.00 0.00 34.95 32.34 3h9s s ARG 36 CO 0.10 0.49 -0.23 -1.14 -1.08 0.00 0.00 175.30 173.43 3h9s s GLN 37 N -1.75 3.05 -0.03 3.89 0.74 0.81 -0.96 119.66 125.40 3h9s s GLN 37 Ca 0.14 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.69 3h9s s GLN 37 Cb -0.10 -2.31 0.02 0.00 1.10 0.00 0.00 33.01 31.72 3h9s s GLN 37 CO 0.06 0.19 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.45 3h9s s ASP 38 N 0.32 0.61 0.08 6.67 1.01 -1.06 -3.42 116.67 120.88 3h9s s ASP 38 Ca -0.18 -0.07 0.06 0.00 0.71 0.00 0.00 52.55 53.07 3h9s s ASP 38 Cb -0.18 -0.27 0.27 0.00 1.01 0.00 0.00 42.92 43.76 3h9s s ASP 38 CO 0.09 -0.05 0.29 -2.65 0.21 0.00 0.00 175.17 173.05 3h9s n PRO 39 N 3.86 -0.01 0.00 8.23 -0.02 -1.26 -0.28 135.00 145.52 3h9s n PRO 39 Ca -0.24 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 3h9s n PRO 39 Cb 0.52 -0.46 -0.05 0.00 -0.02 0.00 0.00 33.50 33.49 3h9s n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h9s n GLY 40 N -1.09 -0.07 0.00 -1.23 0.00 -1.26 -4.79 105.19 96.75 3h9s n GLY 40 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3h9s n GLY 40 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3h9s n MET 41 N -1.03 0.60 0.00 1.61 -0.00 0.62 -5.13 117.12 113.79 3h9s n MET 41 Ca 0.03 -0.30 0.00 0.00 -0.00 0.00 0.00 57.70 57.43 3h9s n MET 41 Cb 0.19 -0.78 0.00 0.00 -0.00 0.00 0.00 33.22 32.63 3h9s n MET 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h9s n GLY 42 N 0.17 -0.01 3.75 3.17 0.00 -0.86 -4.70 105.19 106.72 3h9s n GLY 42 Ca 0.00 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 3h9s n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h9s s LEU 43 N 0.00 4.59 -0.03 0.99 1.43 -1.26 -2.55 118.68 121.85 3h9s s LEU 43 Ca 0.00 2.04 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 3h9s s LEU 43 Cb 0.00 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.62 3h9s s LEU 43 CO 0.00 0.01 -0.06 -0.13 0.23 0.00 0.00 176.35 176.40 3h9s s ARG 44 N -1.03 0.79 -0.10 1.70 0.52 -0.14 -4.98 118.95 115.72 3h9s s ARG 44 Ca 0.44 -0.17 -0.24 0.00 -0.52 0.00 0.00 55.73 55.24 3h9s s ARG 44 Cb -0.28 -0.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.39 3h9s s ARG 44 CO 0.35 -0.00 0.74 -1.17 0.02 0.00 0.00 175.30 175.24 3h9s s LEU 45 N 0.57 4.27 -0.11 2.53 2.96 -1.26 -1.57 118.68 126.07 3h9s s LEU 45 Ca -0.08 1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.94 3h9s s LEU 45 Cb -0.11 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 3h9s s LEU 45 CO 0.00 -0.21 -0.15 -0.38 -1.32 0.00 0.00 176.35 174.29 3h9s n ILE 46 N 4.09 1.03 -4.14 6.68 5.41 0.07 -0.21 119.36 132.30 3h9s n ILE 46 Ca 0.01 0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.94 3h9s n ILE 46 Cb 0.51 -2.13 -0.10 0.00 -0.71 0.00 0.00 39.64 37.20 3h9s n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3h9s s HIS 47 N -1.98 0.86 0.19 1.39 3.76 -1.24 -0.54 115.29 117.72 3h9s s HIS 47 Ca -0.13 -1.21 -0.20 0.00 -0.15 0.00 0.00 55.06 53.37 3h9s s HIS 47 Cb 0.02 -0.45 0.05 0.00 1.11 0.00 0.00 32.58 33.30 3h9s s HIS 47 CO 0.19 -0.56 0.58 1.52 -0.85 0.00 0.00 174.74 175.62 3h9s s TYR 48 N -4.06 -0.32 -0.09 1.40 1.13 -0.26 -1.74 117.35 113.42 3h9s s TYR 48 Ca 0.26 0.02 -0.03 0.00 -1.41 0.00 0.00 57.07 55.91 3h9s s TYR 48 Cb 0.07 0.51 0.04 0.00 -1.10 0.00 0.00 41.96 41.48 3h9s s TYR 48 CO 0.03 -0.93 0.10 0.45 -2.51 0.00 0.00 175.55 172.69 3h9s s SER 49 N -2.82 1.29 0.00 -0.18 0.15 -0.52 -0.40 113.70 111.23 3h9s s SER 49 Ca 0.05 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 56.97 3h9s s SER 49 Cb -0.02 -0.03 1.03 0.00 -1.71 0.00 0.00 66.02 65.29 3h9s s SER 49 CO -0.06 -0.27 1.74 1.33 1.20 0.00 0.00 173.24 177.17 3h9s n VAL 50 N 5.30 0.00 -3.88 4.45 0.24 -1.26 -2.05 118.33 121.14 3h9s n VAL 50 Ca -0.04 -0.09 -0.03 0.00 -2.04 0.00 0.00 64.34 62.14 3h9s n VAL 50 Cb 0.50 0.11 0.02 0.00 -1.47 0.00 0.00 33.84 33.00 3h9s n VAL 50 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h9s s GLY 51 N -2.48 0.09 0.18 7.63 0.00 -1.06 -4.30 107.32 107.37 3h9s s GLY 51 Ca 0.27 -0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.38 3h9s s GLY 51 CO 0.49 2.34 1.50 0.00 0.00 0.00 0.00 173.10 177.44 3h9s s ALA 52 N -2.23 3.71 0.00 3.20 0.00 -1.26 -3.01 121.76 122.17 3h9s s ALA 52 Ca 0.21 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3h9s s ALA 52 Cb -0.02 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3h9s s ALA 52 CO 0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3h9s n GLY 53 N 3.33 2.57 3.41 0.00 0.00 0.13 -5.02 105.19 109.62 3h9s n GLY 53 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3h9s n GLY 53 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h9s s ILE 54 N -2.25 2.58 0.14 -0.61 -4.36 -1.16 -4.86 121.20 110.67 3h9s s ILE 54 Ca 0.00 -1.11 -0.12 0.00 -0.26 0.00 0.00 60.65 59.15 3h9s s ILE 54 Cb 0.00 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.70 3h9s s ILE 54 CO 0.00 0.44 0.33 0.42 0.24 0.00 0.00 174.94 176.37 3h9s s THR 55 N -0.80 0.08 0.18 8.37 -4.23 -1.26 -4.18 115.64 113.80 3h9s s THR 55 Ca 0.13 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.51 3h9s s THR 55 Cb -0.10 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.27 3h9s s THR 55 CO 0.02 -0.37 0.40 -0.62 -0.54 0.00 0.00 174.62 173.51 3h9s s ASP 56 N -2.88 -0.09 0.34 3.99 -1.08 0.47 -4.98 116.67 112.43 3h9s s ASP 56 Ca 0.09 -0.71 -0.26 0.00 -0.52 0.00 0.00 52.55 51.15 3h9s s ASP 56 Cb 0.03 0.51 -0.10 0.00 -1.46 0.00 0.00 42.92 41.90 3h9s s ASP 56 CO -0.07 -0.98 0.99 0.00 0.52 0.00 0.00 175.17 175.63 3h9s s GLN 57 N -3.93 4.48 0.00 4.34 -2.07 -1.26 -1.10 119.66 120.12 3h9s s GLN 57 Ca 0.14 1.43 0.00 0.00 -1.82 0.00 0.00 55.36 55.11 3h9s s GLN 57 Cb 0.01 -2.77 0.00 0.00 -1.09 0.00 0.00 33.01 29.16 3h9s s GLN 57 CO -0.01 0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.53 3h9s n GLY 58 N 0.57 1.69 0.13 2.60 0.00 0.30 -4.79 105.19 105.70 3h9s n GLY 58 Ca 0.02 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 3h9s n GLY 58 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h9s h GLU 59 N 0.00 0.27 -2.24 1.61 4.11 -0.88 -3.38 114.58 114.08 3h9s h GLU 59 Ca 0.00 -0.31 -0.59 0.00 0.07 0.00 0.00 59.36 58.53 3h9s h GLU 59 Cb 0.00 0.09 -0.42 0.00 0.50 0.00 0.00 28.75 28.92 3h9s h GLU 59 CO 0.00 1.02 -0.65 1.33 0.07 0.00 0.00 179.01 180.78 3h9s n VAL 60 N -3.68 2.63 0.17 -1.06 0.24 0.71 -4.93 118.33 112.42 3h9s n VAL 60 Ca -0.05 -5.39 0.08 0.00 -2.04 0.00 0.00 64.34 56.94 3h9s n VAL 60 Cb 0.83 -1.65 0.09 0.00 -1.47 0.00 0.00 33.84 31.64 3h9s n VAL 60 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3h9s h PRO 61 N 3.46 0.00 -6.63 7.34 0.13 -1.74 -3.42 132.00 131.15 3h9s h PRO 61 Ca 0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.76 3h9s h PRO 61 Cb 0.58 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.77 3h9s h PRO 61 CO 0.81 0.21 1.04 0.09 -0.23 0.00 0.00 178.00 179.92 3h9s n ASN 62 N -3.11 4.04 0.00 1.44 3.02 -1.26 -1.74 115.26 117.65 3h9s n ASN 62 Ca 0.02 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 3h9s n ASN 62 Cb 0.63 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3h9s n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h9s n GLY 63 N 4.04 0.74 3.42 7.41 0.00 -1.26 -5.04 105.19 114.49 3h9s n GLY 63 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3h9s n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h9s s TYR 65 N -2.35 2.06 -0.01 1.61 2.02 -0.71 -3.94 117.35 116.03 3h9s s TYR 65 Ca 0.00 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 3h9s s TYR 65 Cb 0.00 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 3h9s s TYR 65 CO 0.00 0.56 0.25 1.21 -1.57 0.00 0.00 175.55 176.00 3h9s s ASN 66 N -3.34 -0.12 -0.10 2.29 2.47 0.50 -4.96 114.94 111.68 3h9s s ASN 66 Ca 0.26 -0.01 -0.17 0.00 0.42 0.00 0.00 52.86 53.37 3h9s s ASN 66 Cb -0.04 0.28 0.04 0.00 -1.45 0.00 0.00 41.25 40.08 3h9s s ASN 66 CO 0.11 -0.42 0.41 0.54 -3.72 0.00 0.00 177.10 174.03 3h9s s VAL 67 N -1.33 0.02 0.02 -5.21 0.11 -1.26 0.16 120.40 112.91 3h9s s VAL 67 Ca -0.14 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 3h9s s VAL 67 Cb -0.06 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3h9s s VAL 67 CO 0.03 -0.09 0.01 -0.94 -3.33 0.00 0.00 175.10 170.78 3h9s s SER 68 N -0.49 0.20 -0.62 3.54 1.04 -1.21 -5.00 113.70 111.16 3h9s s SER 68 Ca -0.06 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 55.98 3h9s s SER 68 Cb -0.03 0.13 0.22 0.00 0.10 0.00 0.00 66.02 66.43 3h9s s SER 68 CO 0.03 -0.33 0.62 -1.14 0.98 0.00 0.00 173.24 173.41 3h9s n ARG 69 N 1.51 2.01 0.14 4.02 3.00 -1.26 -3.70 116.66 122.37 3h9s n ARG 69 Ca -0.23 -4.39 0.01 0.00 -0.00 0.00 0.00 57.85 53.24 3h9s n ARG 69 Cb 0.55 -2.13 0.13 0.00 0.00 0.00 0.00 32.46 31.01 3h9s n ARG 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3h9s h SER 70 N 4.62 0.00 -2.78 6.15 4.64 -1.94 0.37 113.55 124.60 3h9s h SER 70 Ca 0.18 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.98 3h9s h SER 70 Cb 0.72 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.68 3h9s h SER 70 CO 0.74 0.57 -0.65 0.42 -0.87 0.00 0.00 176.83 177.04 3h9s s THR 71 N -3.23 1.63 0.08 2.95 -4.23 -1.26 -4.59 115.64 106.99 3h9s s THR 71 Ca 0.01 -2.09 0.20 0.00 -1.18 0.00 0.00 61.69 58.63 3h9s s THR 71 Cb 0.10 -2.60 0.16 0.00 1.34 0.00 0.00 72.50 71.50 3h9s s THR 71 CO 0.74 -0.19 1.71 0.71 -0.54 0.00 0.00 174.62 177.05 3h9s h THR 72 N 2.17 0.74 -0.15 3.99 1.35 -1.93 -3.19 112.91 115.88 3h9s h THR 72 Ca -0.41 -1.49 -0.10 0.00 -0.55 0.00 0.00 66.41 63.87 3h9s h THR 72 Cb 1.24 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3h9s h THR 72 CO 0.70 0.33 -0.28 -0.33 -0.25 0.00 0.00 175.52 175.68 3h9s h GLU 73 N 0.00 0.46 -5.61 4.72 3.07 -1.89 -3.45 114.58 111.87 3h9s h GLU 73 Ca -0.00 -0.29 -0.65 0.00 -0.50 0.00 0.00 59.36 57.91 3h9s h GLU 73 Cb 0.93 0.03 -0.18 0.00 -0.84 0.00 0.00 28.75 28.70 3h9s h GLU 73 CO 0.04 0.89 -0.64 -0.51 -1.40 0.00 0.00 179.01 177.40 3h9s s ASP 74 N -6.38 5.03 -0.56 1.42 1.01 -1.21 -2.43 116.67 113.56 3h9s s ASP 74 Ca -0.13 0.00 0.07 0.00 0.71 0.00 0.00 52.55 53.19 3h9s s ASP 74 Cb 0.06 -1.64 0.29 0.00 1.01 0.00 0.00 42.92 42.64 3h9s s ASP 74 CO 0.79 0.26 0.78 0.33 0.21 0.00 0.00 175.17 177.54 3h9s n PHE 75 N 2.92 2.87 -1.93 4.23 7.35 -0.83 -4.35 117.46 127.72 3h9s n PHE 75 Ca -0.18 -3.99 -0.41 0.00 -0.76 0.00 0.00 57.45 52.11 3h9s n PHE 75 Cb 0.53 -0.49 -0.02 0.00 0.35 0.00 0.00 39.48 39.84 3h9s n PHE 75 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3h9s s PRO 76 N -2.61 4.22 -0.32 -7.13 0.04 -1.24 -4.40 135.00 123.56 3h9s s PRO 76 Ca 0.42 2.39 -0.12 0.00 0.04 0.00 0.00 61.00 63.74 3h9s s PRO 76 Cb 0.21 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 3h9s s PRO 76 CO -0.07 -0.49 0.21 -1.17 0.04 0.00 0.00 177.00 175.53 3h9s s LEU 77 N -0.48 4.32 -0.00 -3.56 2.96 -0.46 -3.29 118.68 118.17 3h9s s LEU 77 Ca 0.60 -0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 54.05 3h9s s LEU 77 Cb -0.44 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.08 3h9s s LEU 77 CO 0.45 -0.18 0.38 -0.13 -1.32 0.00 0.00 176.35 175.56 3h9s s ARG 78 N 1.72 3.86 -0.34 1.98 1.81 0.43 -1.20 118.95 127.21 3h9s s ARG 78 Ca 0.06 0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 54.38 3h9s s ARG 78 Cb -0.17 -3.20 0.06 0.00 -0.45 0.00 0.00 34.95 31.19 3h9s s ARG 78 CO 0.10 0.69 0.09 -0.51 -0.68 0.00 0.00 175.30 174.99 3h9s s LEU 79 N -1.14 4.36 0.15 2.53 1.02 -0.16 -0.37 118.68 125.07 3h9s s LEU 79 Ca 0.24 -1.35 0.15 0.00 0.02 0.00 0.00 54.13 53.19 3h9s s LEU 79 Cb -0.16 -1.81 -0.06 0.00 0.02 0.00 0.00 46.19 44.18 3h9s s LEU 79 CO 0.13 -0.35 1.09 0.25 0.02 0.00 0.00 176.35 177.49 3h9s h LEU 80 N 8.12 0.00 -6.73 1.79 5.85 -1.84 -2.71 115.31 119.79 3h9s h LEU 80 Ca -0.21 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.16 3h9s h LEU 80 Cb 1.07 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.74 3h9s h LEU 80 CO 0.60 0.57 -0.65 -0.55 -0.34 0.00 0.00 178.44 178.07 3h9s s SER 81 N -6.10 1.74 0.17 1.25 0.15 -1.26 -4.20 113.70 105.45 3h9s s SER 81 Ca -0.00 -0.49 -0.32 0.00 0.70 0.00 0.00 55.95 55.85 3h9s s SER 81 Cb 0.08 0.30 -0.10 0.00 -1.71 0.00 0.00 66.02 64.59 3h9s s SER 81 CO 0.79 -0.36 1.57 0.00 1.20 0.00 0.00 173.24 176.44 3h9s s ALA 82 N 2.30 3.78 0.08 5.45 0.00 -0.52 -4.77 121.76 128.09 3h9s s ALA 82 Ca 0.07 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.49 3h9s s ALA 82 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 3h9s s ALA 82 CO -0.20 -0.79 -0.12 0.00 0.00 0.00 0.00 175.76 174.65 3h9s s ALA 83 N 1.10 2.85 0.65 0.00 0.00 -1.26 -1.51 121.76 123.58 3h9s s ALA 83 Ca 0.70 -1.22 0.30 0.00 0.00 0.00 0.00 51.96 51.74 3h9s s ALA 83 Cb -0.44 -0.86 1.60 0.00 0.00 0.00 0.00 23.12 23.42 3h9s s ALA 83 CO 0.32 0.62 1.92 -1.35 0.00 0.00 0.00 175.76 177.26 3h9s h PRO 84 N 3.96 0.00 -0.06 0.00 0.11 -1.94 -1.61 132.00 132.46 3h9s h PRO 84 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h9s h PRO 84 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h9s h PRO 84 CO 0.50 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 3h9s n SER 85 N -3.09 0.94 -1.10 -2.05 3.41 -1.26 -2.90 113.62 107.57 3h9s n SER 85 Ca 0.00 -1.45 0.12 0.00 -0.26 0.00 0.00 58.87 57.28 3h9s n SER 85 Cb 0.43 -0.03 0.23 0.00 -0.26 0.00 0.00 64.21 64.58 3h9s n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h9s n GLN 86 N -0.21 2.43 -1.72 4.33 6.02 -0.61 -4.87 117.38 122.76 3h9s n GLN 86 Ca 0.18 -2.16 -0.42 0.00 -0.01 0.00 0.00 57.00 54.58 3h9s n GLN 86 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 3h9s n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3h9s s THR 87 N -1.54 3.12 0.01 5.09 2.01 -1.14 -4.83 115.64 118.36 3h9s s THR 87 Ca 0.38 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 62.24 3h9s s THR 87 Cb 0.22 -3.11 0.10 0.00 0.01 0.00 0.00 72.50 69.71 3h9s s THR 87 CO 0.31 -0.04 1.25 -0.55 -0.69 0.00 0.00 174.62 174.90 3h9s s SER 88 N 5.71 -0.00 -0.21 3.53 0.15 -0.80 -4.99 113.70 117.09 3h9s s SER 88 Ca 0.90 -0.26 -0.09 0.00 0.70 0.00 0.00 55.95 57.20 3h9s s SER 88 Cb -0.37 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.10 3h9s s SER 88 CO 0.37 -0.40 0.11 -0.69 1.20 0.00 0.00 173.24 173.83 3h9s s VAL 89 N -2.11 5.10 -0.18 4.45 1.01 -1.22 -0.84 120.40 126.61 3h9s s VAL 89 Ca 0.26 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 3h9s s VAL 89 Cb -0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3h9s s VAL 89 CO -0.00 0.42 -0.02 -0.31 0.00 0.00 0.00 175.10 175.18 3h9s s TYR 90 N 0.60 3.01 -0.20 5.22 2.02 0.20 -0.13 117.35 128.06 3h9s s TYR 90 Ca 0.06 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3h9s s TYR 90 Cb -0.12 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3h9s s TYR 90 CO 0.01 -0.21 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.59 3h9s s PHE 91 N 0.81 2.89 0.55 2.71 0.08 -0.05 -0.95 117.98 124.02 3h9s s PHE 91 Ca -0.01 -1.42 -0.16 0.00 0.12 0.00 0.00 56.93 55.46 3h9s s PHE 91 Cb -0.14 -2.00 -0.06 0.00 -0.57 0.00 0.00 43.02 40.25 3h9s s PHE 91 CO 0.02 -0.72 1.02 0.00 -0.10 0.00 0.00 175.22 175.44 3h9s s ALA 93 N -2.56 -0.98 -0.06 0.00 0.00 0.17 0.39 121.76 118.73 3h9s s ALA 93 Ca 0.61 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 3h9s s ALA 93 Cb -0.12 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3h9s s ALA 93 CO 0.34 -0.37 0.17 0.45 0.00 0.00 0.00 175.76 176.35 3h9s s SER 94 N -1.69 -0.18 0.04 0.00 0.15 0.60 -0.61 113.70 112.01 3h9s s SER 94 Ca -0.09 0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 3h9s s SER 94 Cb -0.02 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 3h9s s SER 94 CO 0.01 -0.06 0.07 0.00 1.20 0.00 0.00 173.24 174.45 3h9s s ARG 95 N 0.07 0.55 0.29 5.44 1.70 0.16 -0.58 118.95 126.57 3h9s s ARG 95 Ca -0.00 -0.78 -0.00 0.00 -0.47 0.00 0.00 55.73 54.48 3h9s s ARG 95 Cb -0.01 0.21 0.49 0.00 -0.57 0.00 0.00 34.95 35.07 3h9s s ARG 95 CO 0.00 -0.13 1.89 -1.35 -1.08 0.00 0.00 175.30 174.63 3h9s h PRO 96 N 3.75 1.04 0.00 3.89 0.11 -1.82 -1.71 132.00 137.26 3h9s h PRO 96 Ca -0.33 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3h9s h PRO 96 Cb 1.18 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3h9s h PRO 96 CO 0.51 0.69 0.00 0.41 -0.21 0.00 0.00 178.00 179.40 3h9s n GLY 97 N -1.38 2.31 0.82 -0.55 0.00 -1.26 -2.14 105.19 102.98 3h9s n GLY 97 Ca 0.15 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3h9s n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h9s n LEU 98 N 0.00 2.58 0.27 0.99 4.77 -1.26 -4.56 117.00 119.78 3h9s n LEU 98 Ca 0.00 -0.86 0.17 0.00 -0.03 0.00 0.00 56.01 55.28 3h9s n LEU 98 Cb 0.00 -0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.74 3h9s n LEU 98 CO 0.00 0.43 0.98 0.00 -1.33 0.00 0.00 177.39 177.47 3h9s h ALA 99 N 4.57 1.00 -0.84 -1.18 0.00 -1.84 -3.48 119.26 117.48 3h9s h ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h9s h ALA 99 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3h9s h ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h9s n GLY 100 N 0.08 -1.76 0.00 0.00 0.00 -1.26 -5.07 105.19 97.18 3h9s n GLY 100 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3h9s n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h9s n GLY 101 N 1.08 -1.22 3.69 -0.02 0.00 -1.26 -5.04 105.19 102.42 3h9s n GLY 101 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3h9s n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h9s s ARG 102 N -0.96 4.23 0.00 1.61 0.52 -1.26 -4.86 118.95 118.23 3h9s s ARG 102 Ca 0.00 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 3h9s s ARG 102 Cb 0.00 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3h9s s ARG 102 CO 0.00 -0.65 0.47 -2.30 0.02 0.00 0.00 175.30 172.84 3h9s n PRO 103 N 5.21 0.00 -2.55 3.54 -0.02 -1.26 -4.69 135.00 135.23 3h9s n PRO 103 Ca 0.14 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 3h9s n PRO 103 Cb 0.41 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 3h9s n PRO 103 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h9s s GLU 105 N -1.95 4.61 -0.05 -0.52 2.02 -1.26 -4.75 118.70 116.80 3h9s s GLU 105 Ca 0.00 1.67 -0.21 0.00 0.02 0.00 0.00 54.97 56.45 3h9s s GLU 105 Cb 0.00 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 3h9s s GLU 105 CO 0.00 0.09 0.60 -1.14 0.02 0.00 0.00 175.26 174.83 3h9s s GLN 106 N -0.25 4.36 -0.03 1.61 0.74 -1.26 -4.48 119.66 120.34 3h9s s GLN 106 Ca 0.49 0.72 0.04 0.00 0.05 0.00 0.00 55.36 56.66 3h9s s GLN 106 Cb -0.28 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 3h9s s GLN 106 CO 0.34 0.23 -0.15 0.71 -0.55 0.00 0.00 175.29 175.87 3h9s s TYR 107 N 0.30 2.68 0.15 1.67 1.51 0.25 -4.92 117.35 119.00 3h9s s TYR 107 Ca 0.32 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.25 3h9s s TYR 107 Cb -0.17 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3h9s s TYR 107 CO 0.16 0.20 0.16 -0.06 -1.11 0.00 0.00 175.55 174.90 3h9s s PHE 108 N -0.78 3.23 0.70 2.71 0.40 -1.26 -0.29 117.98 122.69 3h9s s PHE 108 Ca 0.12 0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.40 3h9s s PHE 108 Cb -0.11 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 41.91 3h9s s PHE 108 CO 0.02 0.52 1.03 0.20 0.70 0.00 0.00 175.22 177.68 3h9s s GLY 109 N -3.04 1.65 0.00 4.36 0.00 0.16 -4.70 107.32 105.76 3h9s s GLY 109 Ca 0.32 -0.79 0.25 0.00 0.00 0.00 0.00 44.72 44.50 3h9s s GLY 109 CO 0.24 -0.40 1.83 -1.55 0.00 0.00 0.00 173.10 173.22 3h9s n PRO 110 N -2.92 0.24 0.00 2.90 -0.04 -1.26 -4.68 135.00 129.23 3h9s n PRO 110 Ca 0.07 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3h9s n PRO 110 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3h9s n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h9s n GLY 111 N 0.91 1.37 2.82 0.55 0.00 -1.26 -5.01 105.19 104.57 3h9s n GLY 111 Ca 0.10 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 3h9s n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h9s s THR 112 N -2.80 0.63 -0.35 2.61 2.01 -0.13 -4.47 115.64 113.14 3h9s s THR 112 Ca 0.00 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 3h9s s THR 112 Cb 0.00 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 3h9s s THR 112 CO 0.00 0.25 0.40 -0.13 -0.69 0.00 0.00 174.62 174.44 3h9s s ARG 113 N 1.86 3.55 -0.14 4.92 0.52 0.23 -0.63 118.95 129.27 3h9s s ARG 113 Ca 0.04 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3h9s s ARG 113 Cb -0.13 -3.81 -0.01 0.00 0.52 0.00 0.00 34.95 31.52 3h9s s ARG 113 CO -0.07 -0.56 -0.16 -1.17 0.02 0.00 0.00 175.30 173.37 3h9s s LEU 114 N 2.10 2.51 -0.18 2.53 2.96 -0.02 -0.86 118.68 127.71 3h9s s LEU 114 Ca 0.13 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3h9s s LEU 114 Cb -0.16 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3h9s s LEU 114 CO 0.12 0.12 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.36 3h9s s THR 115 N 0.59 3.81 -0.32 3.68 2.01 0.68 -1.91 115.64 124.18 3h9s s THR 115 Ca -0.09 -0.37 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 3h9s s THR 115 Cb -0.16 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.66 3h9s s THR 115 CO 0.03 0.45 0.13 -0.69 -0.69 0.00 0.00 174.62 173.86 3h9s s VAL 116 N 0.82 4.29 0.02 3.82 1.01 -1.26 -1.26 120.40 127.84 3h9s s VAL 116 Ca -0.00 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3h9s s VAL 116 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3h9s s VAL 116 CO 0.02 -0.01 -0.03 0.28 0.00 0.00 0.00 175.10 175.36 3h9s s THR 116 N 1.54 3.90 0.13 3.92 -1.32 0.14 -4.42 115.64 119.54 3h9s s THR 116 Ca 0.03 -0.74 -0.17 0.00 -1.21 0.00 0.00 61.69 59.59 3h9s s THR 116 Cb -0.18 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.06 3h9s s THR 116 CO 0.05 0.34 1.71 -0.08 -2.21 0.00 0.00 174.62 174.43 3h9s h GLU 117 N 4.28 0.51 -5.16 7.08 4.81 -1.96 -2.58 114.58 121.55 3h9s h GLU 117 Ca -0.49 -0.07 -0.45 0.00 -0.13 0.00 0.00 59.36 58.22 3h9s h GLU 117 Cb 1.17 -0.09 -0.28 0.00 0.63 0.00 0.00 28.75 30.18 3h9s h GLU 117 CO 0.56 0.45 -0.80 0.34 -0.73 0.00 0.00 179.01 178.83 3h9s s ASP 118 N -5.70 1.50 -0.14 1.04 2.15 -1.26 -4.35 116.67 109.92 3h9s s ASP 118 Ca -0.13 -0.28 0.15 0.00 0.43 0.00 0.00 52.55 52.72 3h9s s ASP 118 Cb 0.10 -0.15 0.68 0.00 -0.30 0.00 0.00 42.92 43.24 3h9s s ASP 118 CO 0.73 0.13 1.56 0.00 -0.17 0.00 0.00 175.17 177.42 3h9s n LEU 119 N 2.58 4.62 0.00 -1.34 -0.00 -1.26 -3.05 117.00 118.55 3h9s n LEU 119 Ca -0.15 -2.34 0.11 0.00 -0.00 0.00 0.00 56.01 53.63 3h9s n LEU 119 Cb 0.55 -0.59 0.51 0.00 -0.00 0.00 0.00 43.42 43.90 3h9s n LEU 119 CO 0.24 0.69 0.85 0.29 -0.00 0.00 0.00 177.39 179.46 3h9s n LYS 120 N 0.86 0.16 0.08 1.47 5.02 -1.26 -2.93 118.16 121.55 3h9s n LYS 120 Ca 0.24 0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 3h9s n LYS 120 Cb 0.91 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.88 3h9s n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3h9s n ASN 121 N -1.39 0.57 -4.64 4.39 3.02 -1.17 -4.86 115.26 111.18 3h9s n ASN 121 Ca 0.08 0.57 -0.42 0.00 -0.03 0.00 0.00 54.58 54.78 3h9s n ASN 121 Cb 0.22 -0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 3h9s n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h9s s VAL 122 N -3.10 4.80 -0.01 2.41 1.01 -1.15 -4.67 120.40 119.69 3h9s s VAL 122 Ca 0.10 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.65 3h9s s VAL 122 Cb 0.13 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3h9s s VAL 122 CO 0.54 -0.14 -0.12 -0.36 0.00 0.00 0.00 175.10 175.01 3h9s s PHE 123 N 2.94 1.11 0.66 5.22 0.40 -0.94 -4.76 117.98 122.61 3h9s s PHE 123 Ca 0.35 -0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.37 3h9s s PHE 123 Cb -0.15 -0.71 0.01 0.00 0.51 0.00 0.00 43.02 42.68 3h9s s PHE 123 CO 0.09 -0.02 1.02 -1.25 0.70 0.00 0.00 175.22 175.76 3h9s s PRO 124 N -0.35 2.89 0.50 0.24 0.04 -1.26 -0.66 135.00 136.40 3h9s s PRO 124 Ca 0.04 0.28 -0.18 0.00 0.04 0.00 0.00 61.00 61.19 3h9s s PRO 124 Cb -0.05 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 3h9s s PRO 124 CO -0.00 -0.90 0.99 -1.25 0.04 0.00 0.00 177.00 175.88 3h9s s PRO 125 N -5.22 3.90 -0.16 0.56 0.04 -1.26 -4.24 135.00 128.63 3h9s s PRO 125 Ca 0.56 1.07 -0.08 0.00 0.04 0.00 0.00 61.00 62.59 3h9s s PRO 125 Cb -0.11 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3h9s s PRO 125 CO 0.49 -0.31 0.13 -1.21 0.04 0.00 0.00 177.00 176.14 3h9s s GLU 126 N -3.78 3.80 -0.07 4.56 2.02 -0.55 -4.89 118.70 119.79 3h9s s GLU 126 Ca 0.61 -0.19 0.05 0.00 0.02 0.00 0.00 54.97 55.47 3h9s s GLU 126 Cb -0.11 -3.29 -0.00 0.00 0.10 0.00 0.00 34.13 30.82 3h9s s GLU 126 CO 0.27 0.54 -0.23 0.08 0.02 0.00 0.00 175.26 175.94 3h9s s VAL 127 N -0.33 1.91 0.03 2.63 1.01 -1.26 -1.38 120.40 123.01 3h9s s VAL 127 Ca 0.11 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3h9s s VAL 127 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3h9s s VAL 127 CO 0.01 0.53 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 3h9s s ALA 128 N 0.07 0.52 -0.17 5.51 0.00 -0.51 -4.58 121.76 122.60 3h9s s ALA 128 Ca -0.09 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3h9s s ALA 128 Cb -0.15 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3h9s s ALA 128 CO 0.05 -0.01 -0.15 0.08 0.00 0.00 0.00 175.76 175.74 3h9s s VAL 129 N -1.16 2.64 -0.22 0.00 1.01 -1.26 -0.99 120.40 120.41 3h9s s VAL 129 Ca -0.08 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3h9s s VAL 129 Cb -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3h9s s VAL 129 CO 0.00 0.51 0.10 -0.36 0.00 0.00 0.00 175.10 175.35 3h9s s PHE 130 N 1.00 3.21 0.24 5.22 0.40 0.11 -4.95 117.98 123.21 3h9s s PHE 130 Ca -0.02 -0.02 -0.24 0.00 -0.60 0.00 0.00 56.93 56.05 3h9s s PHE 130 Cb -0.15 -2.19 -0.09 0.00 0.51 0.00 0.00 43.02 41.11 3h9s s PHE 130 CO -0.03 -0.03 0.82 -1.21 0.70 0.00 0.00 175.22 175.47 3h9s s GLU 131 N 0.98 4.48 0.51 0.44 2.02 -1.26 -1.79 118.70 124.08 3h9s s GLU 131 Ca 0.05 1.13 -0.22 0.00 0.02 0.00 0.00 54.97 55.95 3h9s s GLU 131 Cb -0.14 -2.99 -0.07 0.00 0.10 0.00 0.00 34.13 31.03 3h9s s GLU 131 CO 0.03 0.42 1.15 -2.30 0.02 0.00 0.00 175.26 174.59 3h9s n PRO 132 N 0.98 1.43 -2.07 0.39 -0.02 -1.24 -4.95 135.00 129.52 3h9s n PRO 132 Ca -0.02 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 3h9s n PRO 132 Cb 0.50 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3h9s n PRO 132 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h9s s SER 133 N -0.90 5.74 0.25 2.55 1.04 -1.26 -4.95 113.70 116.17 3h9s s SER 133 Ca 0.69 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 58.99 3h9s s SER 133 Cb -0.46 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 63.41 3h9s s SER 133 CO 0.52 -1.19 1.65 -0.33 0.98 0.00 0.00 173.24 174.87 3h9s h GLU 134 N 0.54 0.55 -0.20 4.02 5.08 -2.00 -3.22 114.58 119.35 3h9s h GLU 134 Ca -0.47 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 57.70 3h9s h GLU 134 Cb 1.23 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 3h9s h GLU 134 CO 0.57 0.80 -0.23 0.00 -1.00 0.00 0.00 179.01 179.15 3h9s h ALA 135 N 1.19 -0.15 -0.48 3.43 0.00 -1.97 0.59 119.26 121.88 3h9s h ALA 135 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h9s h ALA 135 Cb 0.78 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3h9s h ALA 135 CO 0.06 -0.67 0.31 1.49 0.00 0.00 0.00 179.25 180.44 3h9s h GLU 136 N -0.26 0.60 -0.77 0.00 4.81 -1.88 0.38 114.58 117.47 3h9s h GLU 136 Ca 0.12 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3h9s h GLU 136 Cb 0.44 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 3h9s h GLU 136 CO -0.34 0.40 0.48 0.82 -0.73 0.00 0.00 179.01 179.63 3h9s h ILE 137 N 0.62 1.08 0.00 2.32 2.04 -1.48 0.54 117.51 122.64 3h9s h ILE 137 Ca 0.18 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3h9s h ILE 137 Cb -0.05 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 3h9s h ILE 137 CO -0.05 0.17 0.00 -1.28 0.00 0.00 0.00 178.15 176.98 3h9s h SER 138 N 0.92 0.00 0.00 1.72 0.87 -0.03 -2.61 113.55 114.42 3h9s h SER 138 Ca 0.32 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.62 3h9s h SER 138 Cb 0.06 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 3h9s h SER 138 CO -0.13 0.00 -2.05 1.57 -0.53 0.00 0.00 176.83 175.69 3h9s n HIS 139 N -2.72 0.00 0.00 2.24 -0.00 0.13 -4.76 115.22 110.11 3h9s n HIS 139 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 3h9s n HIS 139 Cb 0.44 -0.73 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 3h9s n HIS 139 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3h9s n THR 140 N -2.53 0.00 -2.01 3.57 -2.24 0.19 -5.00 114.28 106.25 3h9s n THR 140 Ca -0.23 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 3h9s n THR 140 Cb 0.95 0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 70.01 3h9s n THR 140 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h9s n GLN 141 N -1.03 -1.51 -4.19 -0.78 3.00 -0.98 -5.00 117.38 106.88 3h9s n GLN 141 Ca 0.00 1.08 -0.12 0.00 -0.01 0.00 0.00 57.00 57.95 3h9s n GLN 141 Cb 0.00 -5.58 -0.10 0.00 0.00 0.00 0.00 30.24 24.56 3h9s n GLN 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3h9s s LYS 142 N -4.40 0.90 -0.15 -1.09 1.02 -1.26 -2.19 119.74 112.58 3h9s s LYS 142 Ca 0.00 -1.36 -0.04 0.00 0.02 0.00 0.00 55.97 54.59 3h9s s LYS 142 Cb 0.00 -0.35 0.06 0.00 -0.52 0.00 0.00 37.83 37.02 3h9s s LYS 142 CO 0.00 0.02 0.11 0.00 -0.92 0.00 0.00 175.35 174.56 3h9s s ALA 143 N -3.46 0.23 -0.30 5.17 0.00 0.31 -3.19 121.76 120.52 3h9s s ALA 143 Ca 0.13 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 3h9s s ALA 143 Cb 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3h9s s ALA 143 CO -0.03 -1.03 0.40 0.99 0.00 0.00 0.00 175.76 176.10 3h9s s THR 144 N 2.19 5.14 0.12 0.00 2.01 -1.26 -1.57 115.64 122.27 3h9s s THR 144 Ca 0.03 0.43 -0.26 0.00 0.31 0.00 0.00 61.69 62.21 3h9s s THR 144 Cb -0.15 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 3h9s s THR 144 CO -0.08 0.04 0.79 -0.76 -0.69 0.00 0.00 174.62 173.92 3h9s s LEU 145 N 2.12 4.54 0.14 4.42 1.02 0.66 -3.62 118.68 127.97 3h9s s LEU 145 Ca 0.15 1.60 0.11 0.00 0.02 0.00 0.00 54.13 56.00 3h9s s LEU 145 Cb -0.16 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 42.70 3h9s s LEU 145 CO 0.11 0.12 -0.24 0.68 0.02 0.00 0.00 176.35 177.04 3h9s s VAL 146 N -0.66 2.44 -0.09 -1.59 -7.23 -0.74 -0.65 120.40 111.89 3h9s s VAL 146 Ca 0.38 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3h9s s VAL 146 Cb -0.22 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 3h9s s VAL 146 CO 0.26 0.04 -0.16 0.00 -0.31 0.00 0.00 175.10 174.92 3h9s s LEU 148 N -0.10 2.78 -0.22 0.00 1.43 -0.16 -1.70 118.68 120.71 3h9s s LEU 148 Ca -0.03 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 3h9s s LEU 148 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3h9s s LEU 148 CO 0.04 0.08 0.04 0.00 0.23 0.00 0.00 176.35 176.74 3h9s s ALA 149 N 0.87 3.16 0.03 4.21 0.00 0.50 -1.43 121.76 129.11 3h9s s ALA 149 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.94 3h9s s ALA 149 Cb -0.15 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 3h9s s ALA 149 CO 0.00 -0.22 -0.04 0.95 0.00 0.00 0.00 175.76 176.45 3h9s s THR 150 N 1.12 0.26 -0.92 0.00 -4.23 -0.48 0.92 115.64 112.30 3h9s s THR 150 Ca 0.04 -1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 59.36 3h9s s THR 150 Cb -0.14 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.10 3h9s s THR 150 CO 0.03 -0.57 0.67 0.61 -0.54 0.00 0.00 174.62 174.82 3h9s n GLY 151 N 1.26 -0.04 3.62 3.99 0.00 0.75 -1.48 105.19 113.28 3h9s n GLY 151 Ca -0.22 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 3h9s n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h9s s PHE 152 N -3.14 2.72 -0.19 1.61 -0.12 -0.60 -4.53 117.98 113.72 3h9s s PHE 152 Ca 0.33 -0.19 -0.13 0.00 -0.05 0.00 0.00 56.93 56.89 3h9s s PHE 152 Cb -0.15 -1.30 0.06 0.00 -0.63 0.00 0.00 43.02 41.00 3h9s s PHE 152 CO 0.41 0.54 0.47 -0.47 -0.05 0.00 0.00 175.22 176.12 3h9s s TYR 153 N -1.83 -0.63 0.92 3.49 5.04 0.17 0.10 117.35 124.60 3h9s s TYR 153 Ca 0.27 1.40 -0.15 0.00 -2.44 0.00 0.00 57.07 56.15 3h9s s TYR 153 Cb -0.08 0.28 0.16 0.00 0.35 0.00 0.00 41.96 42.67 3h9s s TYR 153 CO 0.17 -0.33 1.24 -1.25 -1.34 0.00 0.00 175.55 174.04 3h9s s PRO 154 N 0.99 1.00 -0.90 4.97 0.04 -1.26 -2.22 135.00 137.62 3h9s s PRO 154 Ca -0.06 -0.15 -0.06 0.00 0.04 0.00 0.00 61.00 60.78 3h9s s PRO 154 Cb -0.06 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 3h9s s PRO 154 CO -0.09 -2.21 2.08 -0.40 0.04 0.00 0.00 177.00 176.43 3h9s n ASP 155 N -3.68 4.82 -3.60 6.66 5.75 -1.26 -4.61 116.55 120.63 3h9s n ASP 155 Ca 0.12 -2.31 -0.27 0.00 -0.01 0.00 0.00 54.79 52.31 3h9s n ASP 155 Cb 0.60 -1.08 -0.10 0.00 -1.03 0.00 0.00 41.12 39.51 3h9s n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3h9s n HIS 156 N 4.23 2.73 -4.21 2.11 8.25 -1.26 -4.97 115.22 122.10 3h9s n HIS 156 Ca 0.43 -4.10 -0.13 0.00 -0.26 0.00 0.00 57.72 53.66 3h9s n HIS 156 Cb 0.13 -0.50 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 3h9s n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3h9s s VAL 157 N -1.72 0.99 -0.05 1.59 -7.23 -1.26 -1.39 120.40 111.33 3h9s s VAL 157 Ca 0.33 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3h9s s VAL 157 Cb 0.06 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.36 3h9s s VAL 157 CO -0.10 -0.72 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.33 3h9s s GLU 158 N -3.49 0.69 -0.04 4.82 2.02 -0.11 -4.97 118.70 117.62 3h9s s GLU 158 Ca 0.12 -0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.12 3h9s s GLU 158 Cb 0.02 -0.83 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 3h9s s GLU 158 CO -0.01 -0.16 -0.08 -1.17 0.02 0.00 0.00 175.26 173.86 3h9s s LEU 159 N 1.26 3.08 -0.10 1.80 0.20 -1.26 -0.85 118.68 122.81 3h9s s LEU 159 Ca -0.06 -0.10 -0.16 0.00 0.69 0.00 0.00 54.13 54.51 3h9s s LEU 159 Cb -0.14 -1.70 0.04 0.00 -0.43 0.00 0.00 46.19 43.96 3h9s s LEU 159 CO -0.02 0.34 0.40 -0.94 -0.29 0.00 0.00 176.35 175.83 3h9s s SER 160 N -0.98 -0.36 -0.09 3.68 1.04 -0.64 -5.02 113.70 111.33 3h9s s SER 160 Ca 0.14 0.56 -0.04 0.00 0.48 0.00 0.00 55.95 57.09 3h9s s SER 160 Cb -0.11 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3h9s s SER 160 CO 0.03 -0.28 0.07 0.26 0.98 0.00 0.00 173.24 174.30 3h9s s TRP 161 N -0.42 3.37 -0.19 5.02 0.52 -1.26 -1.00 118.94 124.97 3h9s s TRP 161 Ca -0.06 0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.42 3h9s s TRP 161 Cb -0.03 -1.85 0.04 0.00 -1.15 0.00 0.00 33.47 30.48 3h9s s TRP 161 CO 0.03 0.60 -0.08 -1.58 0.02 0.00 0.00 176.95 175.93 3h9s s TRP 162 N -0.99 2.23 -0.12 -1.98 0.52 -0.35 -0.50 118.94 117.75 3h9s s TRP 162 Ca 0.15 -1.48 -0.01 0.00 0.02 0.00 0.00 56.10 54.78 3h9s s TRP 162 Cb -0.12 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 3h9s s TRP 162 CO 0.05 -0.71 -0.08 0.14 0.02 0.00 0.00 176.95 176.36 3h9s s VAL 163 N 1.46 3.52 -1.14 4.03 -7.23 -0.30 -0.62 120.40 120.11 3h9s s VAL 163 Ca -0.01 -0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 3h9s s VAL 163 Cb -0.16 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.37 3h9s s VAL 163 CO -0.08 0.53 0.39 0.59 -0.31 0.00 0.00 175.10 176.22 3h9s n ASN 164 N 3.16 -2.96 0.00 4.85 3.02 -0.50 -2.11 115.26 120.73 3h9s n ASN 164 Ca -0.18 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3h9s n ASN 164 Cb 0.53 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 3h9s n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h9s n GLY 165 N -1.01 3.07 3.94 7.41 0.00 -1.26 -5.04 105.19 112.30 3h9s n GLY 165 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3h9s n GLY 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h9s s LYS 166 N -0.17 3.45 0.01 1.61 2.20 -0.90 -5.04 119.74 120.90 3h9s s LYS 166 Ca 0.00 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 3h9s s LYS 166 Cb 0.00 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 3h9s s LYS 166 CO 0.00 0.52 0.94 -2.00 -0.36 0.00 0.00 175.35 174.46 3h9s s GLU 167 N -3.12 4.57 -0.01 4.03 2.12 -1.26 -1.15 118.70 123.87 3h9s s GLU 167 Ca 0.35 1.36 -0.01 0.00 0.36 0.00 0.00 54.97 57.03 3h9s s GLU 167 Cb -0.11 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 3h9s s GLU 167 CO 0.28 0.01 0.09 0.14 -0.54 0.00 0.00 175.26 175.25 3h9s s VAL 168 N 0.80 4.83 0.00 3.70 -7.23 0.34 -4.89 120.40 117.95 3h9s s VAL 168 Ca 0.49 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 3h9s s VAL 168 Cb -0.21 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.52 3h9s s VAL 168 CO 0.27 0.36 0.15 1.41 -0.31 0.00 0.00 175.10 176.98 3h9s n HIS 169 N 1.20 0.00 -0.67 2.82 8.25 -1.26 -4.36 115.22 121.20 3h9s n HIS 169 Ca -0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.41 3h9s n HIS 169 Cb 0.53 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.91 3h9s n HIS 169 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3h9s n SER 170 N -0.45 4.09 0.00 0.41 7.64 -1.26 -3.69 113.62 120.36 3h9s n SER 170 Ca 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.30 3h9s n SER 170 Cb 0.02 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 3h9s n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h9s n GLY 171 N 0.36 0.03 3.88 0.23 0.00 -1.26 -5.05 105.19 103.38 3h9s n GLY 171 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3h9s n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h9s s VAL 172 N 0.00 5.15 -0.05 1.61 0.11 -1.24 -2.80 120.40 123.18 3h9s s VAL 172 Ca 0.00 0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 3h9s s VAL 172 Cb 0.00 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.25 3h9s s VAL 172 CO 0.00 0.24 0.02 -0.94 -3.33 0.00 0.00 175.10 171.09 3h9s s SER 173 N -1.92 1.19 0.03 3.54 1.04 -0.41 -4.99 113.70 112.18 3h9s s SER 173 Ca 0.34 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.77 3h9s s SER 173 Cb -0.13 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 3h9s s SER 173 CO 0.19 -0.19 0.03 -0.89 0.98 0.00 0.00 173.24 173.36 3h9s s THR 174 N 1.81 4.28 0.29 2.02 2.01 -1.26 -0.28 115.64 124.51 3h9s s THR 174 Ca 0.01 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 3h9s s THR 174 Cb -0.12 -2.97 -0.14 0.00 0.01 0.00 0.00 72.50 69.28 3h9s s THR 174 CO -0.04 0.28 1.14 0.47 -0.69 0.00 0.00 174.62 175.78 3h9s n ASP 175 N 1.05 1.85 0.26 3.53 8.00 -0.77 -4.90 116.55 125.57 3h9s n ASP 175 Ca -0.13 1.18 0.14 0.00 0.71 0.00 0.00 54.79 56.70 3h9s n ASP 175 Cb 0.52 -1.35 0.65 0.00 -0.02 0.00 0.00 41.12 40.92 3h9s n ASP 175 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3h9s h PRO 176 N 2.47 0.00 -2.78 -0.24 0.13 -1.99 -3.44 132.00 126.15 3h9s h PRO 176 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 3h9s h PRO 176 Cb 1.32 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.22 3h9s h PRO 176 CO 0.63 0.10 -0.22 -1.14 -0.23 0.00 0.00 178.00 177.14 3h9s s GLN 177 N -3.78 0.58 0.57 0.86 2.00 -1.26 -5.16 119.66 113.47 3h9s s GLN 177 Ca -0.00 0.31 -0.19 0.00 -2.00 0.00 0.00 55.36 53.48 3h9s s GLN 177 Cb 0.10 0.27 -0.05 0.00 0.80 0.00 0.00 33.01 34.14 3h9s s GLN 177 CO 0.57 -0.12 1.16 -2.14 -0.50 0.00 0.00 175.29 174.27 3h9s s PRO 178 N -0.36 3.17 0.03 1.67 0.02 -1.26 -4.96 135.00 133.30 3h9s s PRO 178 Ca -0.05 1.68 -0.11 0.00 0.02 0.00 0.00 61.00 62.54 3h9s s PRO 178 Cb -0.03 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 3h9s s PRO 178 CO 0.02 -1.01 0.38 -1.17 -0.33 0.00 0.00 177.00 174.89 3h9s s LEU 179 N -3.98 4.40 0.02 -5.54 0.20 -0.09 -4.89 118.68 108.81 3h9s s LEU 179 Ca 0.74 0.82 -0.30 0.00 0.69 0.00 0.00 54.13 56.08 3h9s s LEU 179 Cb -0.26 -2.76 -0.05 0.00 -0.43 0.00 0.00 46.19 42.69 3h9s s LEU 179 CO 0.30 0.25 1.22 -0.54 -0.29 0.00 0.00 176.35 177.29 3h9s s LYS 180 N -1.54 4.39 0.28 1.98 1.02 -1.26 -1.34 119.74 123.27 3h9s s LYS 180 Ca 0.28 1.77 0.14 0.00 0.02 0.00 0.00 55.97 58.18 3h9s s LYS 180 Cb -0.15 -3.43 0.26 0.00 -0.52 0.00 0.00 37.83 33.99 3h9s s LYS 180 CO 0.15 -0.35 1.53 0.93 -0.92 0.00 0.00 175.35 176.70 3h9s h GLU 181 N 7.10 0.00 -2.37 1.68 5.08 -1.57 -3.39 114.58 121.11 3h9s h GLU 181 Ca -0.39 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.45 3h9s h GLU 181 Cb 1.20 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.08 3h9s h GLU 181 CO 0.84 0.57 -0.81 -0.65 -1.00 0.00 0.00 179.01 177.96 3h9s s GLN 182 N -3.21 0.61 -0.84 2.33 -0.21 -1.26 -5.04 119.66 112.04 3h9s s GLN 182 Ca 0.01 -1.27 -0.16 0.00 0.02 0.00 0.00 55.36 53.96 3h9s s GLN 182 Cb 0.10 -1.13 -0.12 0.00 1.00 0.00 0.00 33.01 32.86 3h9s s GLN 182 CO 0.74 -1.22 1.99 -0.35 -2.12 0.00 0.00 175.29 174.33 3h9s n PRO 183 N 3.98 1.74 0.00 2.91 -0.04 -1.26 -2.81 135.00 139.52 3h9s n PRO 183 Ca 0.13 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 3h9s n PRO 183 Cb 0.40 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 3h9s n PRO 183 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h9s n ALA 184 N 6.36 0.00 -2.47 0.55 0.00 -1.26 -5.13 120.51 118.55 3h9s n ALA 184 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 3h9s n ALA 184 Cb 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.65 3h9s n ALA 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h9s s LEU 185 N 0.00 2.66 0.36 0.00 1.43 -1.12 -5.00 118.68 117.01 3h9s s LEU 185 Ca 0.00 -0.51 0.23 0.00 -1.03 0.00 0.00 54.13 52.83 3h9s s LEU 185 Cb 0.00 -1.53 0.35 0.00 0.03 0.00 0.00 46.19 45.04 3h9s s LEU 185 CO 0.00 0.21 1.53 0.78 0.23 0.00 0.00 176.35 179.10 3h9s h ASN 186 N 4.06 0.00 1.91 2.29 4.21 -2.00 -3.17 115.58 122.88 3h9s h ASN 186 Ca -0.49 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.01 3h9s h ASN 186 Cb 1.16 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.36 3h9s h ASN 186 CO 0.47 0.00 -0.03 0.44 -1.29 0.00 0.00 177.43 177.02 3h9s h ASP 187 N 0.00 0.00 -1.34 5.81 3.32 -1.96 -3.49 116.42 118.77 3h9s h ASP 187 Ca 0.00 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.29 3h9s h ASP 187 Cb 0.95 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.54 3h9s h ASP 187 CO 0.00 0.03 0.52 -0.24 -1.72 0.00 0.00 179.24 177.83 3h9s n SER 188 N -3.11 1.33 -4.90 6.45 2.88 -1.20 -4.98 113.62 110.10 3h9s n SER 188 Ca 0.04 1.13 -0.29 0.00 -1.33 0.00 0.00 58.87 58.42 3h9s n SER 188 Cb 0.53 -1.05 0.06 0.00 -0.75 0.00 0.00 64.21 63.00 3h9s n SER 188 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3h9s s ARG 189 N 1.67 2.45 0.26 -1.46 0.52 -1.26 -4.83 118.95 116.29 3h9s s ARG 189 Ca 0.94 0.15 0.09 0.00 -0.52 0.00 0.00 55.73 56.39 3h9s s ARG 189 Cb -1.18 -2.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 3h9s s ARG 189 CO 0.61 -1.22 -0.14 0.71 0.02 0.00 0.00 175.30 175.28 3h9s s TYR 190 N -3.37 2.02 0.02 -0.53 1.51 0.29 -1.46 117.35 115.83 3h9s s TYR 190 Ca 0.59 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 3h9s s TYR 190 Cb -0.11 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 3h9s s TYR 190 CO 0.49 0.49 -0.03 0.00 -1.11 0.00 0.00 175.55 175.39 3h9s s ALA 191 N -2.79 0.14 -0.04 3.71 0.00 -0.45 -0.18 121.76 122.16 3h9s s ALA 191 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 3h9s s ALA 191 Cb -0.01 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3h9s s ALA 191 CO 0.11 -0.14 0.10 -1.17 0.00 0.00 0.00 175.76 174.67 3h9s s LEU 192 N -1.34 1.21 0.06 0.00 2.96 0.26 -0.91 118.68 120.92 3h9s s LEU 192 Ca -0.14 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 3h9s s LEU 192 Cb -0.09 0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 3h9s s LEU 192 CO -0.01 -0.09 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.87 3h9s s SER 193 N 0.63 4.27 0.04 3.68 1.04 -1.26 -0.37 113.70 121.72 3h9s s SER 193 Ca -0.05 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 3h9s s SER 193 Cb -0.07 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 3h9s s SER 193 CO -0.03 0.22 -0.01 -0.55 0.98 0.00 0.00 173.24 173.86 3h9s s SER 194 N -1.81 0.39 -0.13 7.02 0.15 -0.69 -1.84 113.70 116.80 3h9s s SER 194 Ca 0.18 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 56.01 3h9s s SER 194 Cb -0.11 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 3h9s s SER 194 CO 0.10 -0.54 -0.17 -0.13 1.20 0.00 0.00 173.24 173.70 3h9s s ARG 195 N -3.29 2.52 -0.21 5.44 3.00 0.62 -0.69 118.95 126.34 3h9s s ARG 195 Ca 0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 55.73 55.07 3h9s s ARG 195 Cb 0.03 -2.13 0.02 0.00 0.00 0.00 0.00 34.95 32.87 3h9s s ARG 195 CO -0.08 -0.09 -0.13 -1.17 0.00 0.00 0.00 175.30 173.83 3h9s s LEU 196 N 1.04 2.60 -0.18 2.53 2.96 0.18 -1.29 118.68 126.51 3h9s s LEU 196 Ca -0.04 -0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 3h9s s LEU 196 Cb -0.15 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 3h9s s LEU 196 CO -0.04 -0.04 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.26 3h9s s ARG 197 N 1.32 3.36 0.50 1.98 3.52 -1.12 -0.24 118.95 128.27 3h9s s ARG 197 Ca 0.03 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 3h9s s ARG 197 Cb -0.15 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3h9s s ARG 197 CO -0.09 -0.04 0.03 0.14 -0.81 0.00 0.00 175.30 174.53 3h9s s VAL 198 N 1.04 0.98 0.72 7.11 -7.23 -0.61 -4.69 120.40 117.73 3h9s s VAL 198 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 3h9s s VAL 198 Cb -0.15 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.67 3h9s s VAL 198 CO -0.01 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.93 3h9s s SER 199 N -3.83 5.25 0.18 4.85 1.04 -1.26 -0.53 113.70 119.39 3h9s s SER 199 Ca 0.08 1.26 -0.09 0.00 0.48 0.00 0.00 55.95 57.68 3h9s s SER 199 Cb 0.01 -2.07 0.06 0.00 0.10 0.00 0.00 66.02 64.12 3h9s s SER 199 CO 0.05 -1.48 1.62 0.00 0.98 0.00 0.00 173.24 174.40 3h9s h ALA 200 N -0.75 0.79 0.00 5.32 0.00 -1.73 -1.27 119.26 121.62 3h9s h ALA 200 Ca -0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3h9s h ALA 200 Cb 1.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h9s h ALA 200 CO 0.62 0.67 0.00 1.79 0.00 0.00 0.00 179.25 182.33 3h9s h THR 201 N 0.94 0.00 0.00 0.00 1.35 -1.94 0.11 112.91 113.37 3h9s h THR 201 Ca 0.15 -0.53 -0.20 0.00 -0.55 0.00 0.00 66.41 65.29 3h9s h THR 201 Cb 0.64 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 3h9s h THR 201 CO 0.04 0.00 -1.18 0.15 -0.25 0.00 0.00 175.52 174.29 3h9s h PHE 202 N 0.00 0.00 0.19 4.73 3.57 -1.87 -3.33 116.94 120.23 3h9s h PHE 202 Ca 0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 3h9s h PHE 202 Cb 0.65 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.41 3h9s h PHE 202 CO 0.00 0.78 -1.32 2.35 -2.23 0.00 0.00 178.31 177.89 3h9s h TRP 203 N 0.00 0.74 0.00 0.41 2.91 -0.75 -3.35 115.95 115.90 3h9s h TRP 203 Ca -0.12 -0.54 0.00 0.00 1.13 0.00 0.00 58.89 59.36 3h9s h TRP 203 Cb 1.70 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 30.32 3h9s h TRP 203 CO 0.00 1.51 0.00 1.04 -1.03 0.00 0.00 178.44 179.96 3h9s n GLN 204 N -3.85 0.31 -2.46 2.65 6.02 0.34 -3.82 117.38 116.57 3h9s n GLN 204 Ca -0.19 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 3h9s n GLN 204 Cb 0.99 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.72 3h9s n GLN 204 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3h9s s ASP 205 N -2.55 7.03 -0.00 1.08 2.15 -1.25 -3.86 116.67 119.26 3h9s s ASP 205 Ca 0.21 1.76 0.03 0.00 0.43 0.00 0.00 52.55 54.98 3h9s s ASP 205 Cb 0.14 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.31 3h9s s ASP 205 CO 0.32 -0.63 1.07 -0.81 -0.17 0.00 0.00 175.17 174.95 3h9s n PRO 206 N 5.60 1.26 0.10 4.34 -0.04 -1.26 -3.29 135.00 141.71 3h9s n PRO 206 Ca 0.12 -0.39 0.02 0.00 -0.04 0.00 0.00 63.50 63.20 3h9s n PRO 206 Cb 0.46 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 3h9s n PRO 206 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3h9s h ARG 207 N 0.63 0.00 -6.11 0.54 2.43 -1.92 -3.42 114.38 106.53 3h9s h ARG 207 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 3h9s h ARG 207 Cb 0.16 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3h9s h ARG 207 CO 0.00 0.42 0.73 -0.80 -1.51 0.00 0.00 179.97 178.81 3h9s s ASN 208 N -6.21 7.12 -0.23 -3.80 0.01 -1.21 -4.99 114.94 105.63 3h9s s ASN 208 Ca 0.02 1.40 -0.08 0.00 -0.71 0.00 0.00 52.86 53.49 3h9s s ASN 208 Cb 0.08 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 3h9s s ASN 208 CO 0.77 -0.61 0.10 -2.28 -1.51 0.00 0.00 177.10 173.56 3h9s s HIS 209 N 2.90 3.19 -0.15 2.20 5.65 -1.26 -2.32 115.29 125.49 3h9s s HIS 209 Ca 0.45 -0.09 -0.03 0.00 0.25 0.00 0.00 55.06 55.64 3h9s s HIS 209 Cb -0.16 -2.21 -0.02 0.00 -1.18 0.00 0.00 32.58 29.01 3h9s s HIS 209 CO 0.09 -0.10 -0.06 -0.06 -0.65 0.00 0.00 174.74 173.96 3h9s s PHE 210 N 1.15 2.97 -0.08 3.88 0.08 -0.41 -1.41 117.98 124.16 3h9s s PHE 210 Ca 0.05 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.69 3h9s s PHE 210 Cb -0.14 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3h9s s PHE 210 CO 0.04 -0.11 -0.07 0.50 -0.10 0.00 0.00 175.22 175.48 3h9s s ARG 211 N 0.44 1.29 -0.21 0.44 3.52 0.20 -1.34 118.95 123.29 3h9s s ARG 211 Ca -0.05 -0.22 -0.21 0.00 -0.13 0.00 0.00 55.73 55.12 3h9s s ARG 211 Cb -0.15 -1.27 -0.02 0.00 -1.56 0.00 0.00 34.95 31.95 3h9s s ARG 211 CO 0.03 -0.14 0.64 0.00 -0.81 0.00 0.00 175.30 175.03 3h9s s GLN 213 N 2.10 3.40 -0.26 0.00 0.74 -0.17 -0.76 119.66 124.71 3h9s s GLN 213 Ca 0.28 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 55.04 3h9s s GLN 213 Cb -0.16 -2.70 0.05 0.00 1.10 0.00 0.00 33.01 31.30 3h9s s GLN 213 CO 0.10 0.16 -0.09 0.08 -0.55 0.00 0.00 175.29 174.98 3h9s s VAL 214 N 0.51 2.37 -0.05 1.34 1.01 0.07 -1.61 120.40 124.05 3h9s s VAL 214 Ca -0.08 -1.46 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 3h9s s VAL 214 Cb -0.15 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3h9s s VAL 214 CO 0.04 0.04 0.82 -1.58 0.00 0.00 0.00 175.10 174.41 3h9s s GLN 215 N 1.17 4.47 0.01 2.72 2.00 -0.03 -0.30 119.66 129.71 3h9s s GLN 215 Ca -0.06 1.10 0.08 0.00 -2.00 0.00 0.00 55.36 54.48 3h9s s GLN 215 Cb -0.19 -3.46 -0.02 0.00 0.80 0.00 0.00 33.01 30.14 3h9s s GLN 215 CO -0.05 -0.01 -0.25 0.12 -0.50 0.00 0.00 175.29 174.60 3h9s s PHE 216 N 0.98 2.17 -0.22 1.67 5.36 0.03 -0.93 117.98 127.04 3h9s s PHE 216 Ca 0.43 -0.41 -0.04 0.00 -0.96 0.00 0.00 56.93 55.96 3h9s s PHE 216 Cb -0.19 -1.35 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 3h9s s PHE 216 CO 0.21 0.04 -0.04 0.71 -1.46 0.00 0.00 175.22 174.68 3h9s s TYR 217 N -0.69 2.96 0.00 10.12 1.51 -0.48 -1.88 117.35 128.89 3h9s s TYR 217 Ca 0.10 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.24 3h9s s TYR 217 Cb -0.09 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3h9s s TYR 217 CO 0.01 -0.53 0.00 0.41 -1.11 0.00 0.00 175.55 174.32 3h9s n GLY 218 N 4.76 3.91 3.97 0.71 0.00 -1.26 -4.68 105.19 112.59 3h9s n GLY 218 Ca -0.18 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 3h9s n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h9s s LEU 219 N 0.00 2.91 0.42 0.99 1.43 -1.08 -4.52 118.68 118.84 3h9s s LEU 219 Ca 0.00 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 3h9s s LEU 219 Cb 0.00 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3h9s s LEU 219 CO 0.00 -2.01 0.36 -0.94 0.23 0.00 0.00 176.35 173.99 3h9s s SER 220 N -4.74 4.96 0.52 2.29 1.04 -1.26 -1.65 113.70 114.86 3h9s s SER 220 Ca 0.67 -0.81 0.28 0.00 0.48 0.00 0.00 55.95 56.57 3h9s s SER 220 Cb -0.06 -0.50 1.43 0.00 0.10 0.00 0.00 66.02 66.98 3h9s s SER 220 CO 0.46 -0.67 2.05 -0.33 0.98 0.00 0.00 173.24 175.73 3h9s h GLU 221 N 1.05 0.00 -0.42 4.02 5.08 -1.99 -2.09 114.58 120.23 3h9s h GLU 221 Ca -0.41 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 3h9s h GLU 221 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3h9s h GLU 221 CO 0.59 0.12 0.28 -0.91 -1.00 0.00 0.00 179.01 178.09 3h9s h ASN 222 N 0.00 0.28 -3.88 1.42 4.21 -2.05 -3.47 115.58 112.08 3h9s h ASN 222 Ca -0.00 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.00 3h9s h ASN 222 Cb 0.38 -0.06 0.04 0.00 -1.12 0.00 0.00 38.32 37.56 3h9s h ASN 222 CO 0.02 0.18 0.53 -1.81 -1.29 0.00 0.00 177.43 175.06 3h9s s ASP 223 N -6.53 6.83 0.00 5.81 1.01 -0.79 -4.96 116.67 118.05 3h9s s ASP 223 Ca -0.07 2.40 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 3h9s s ASP 223 Cb 0.18 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.42 3h9s s ASP 223 CO 0.73 -0.47 1.75 -0.70 0.21 0.00 0.00 175.17 176.69 3h9s s GLU 224 N -1.91 4.17 -0.10 8.23 2.12 -1.26 -4.99 118.70 124.96 3h9s s GLU 224 Ca 0.51 2.35 -0.04 0.00 0.36 0.00 0.00 54.97 58.16 3h9s s GLU 224 Cb -0.33 -3.94 0.05 0.00 0.26 0.00 0.00 34.13 30.17 3h9s s GLU 224 CO 0.43 -0.85 0.19 -0.46 -0.54 0.00 0.00 175.26 174.02 3h9s s TRP 225 N 3.82 -0.25 -0.39 5.30 -0.11 -1.26 -5.06 118.94 121.00 3h9s s TRP 225 Ca 0.78 0.69 0.11 0.00 1.22 0.00 0.00 56.10 58.90 3h9s s TRP 225 Cb -0.38 -0.21 0.34 0.00 -1.50 0.00 0.00 33.47 31.72 3h9s s TRP 225 CO 0.34 -0.31 0.72 0.25 -4.62 0.00 0.00 176.95 173.33 3h9s n THR 226 N 5.33 0.00 -4.35 5.86 -2.24 -1.26 -5.06 114.28 112.56 3h9s n THR 226 Ca -0.05 -4.60 -0.24 0.00 -2.27 0.00 0.00 64.05 56.89 3h9s n THR 226 Cb 0.50 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.14 3h9s n THR 226 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3h9s s GLN 227 N -2.38 2.05 0.00 -0.78 -1.52 -1.26 -5.02 119.66 110.75 3h9s s GLN 227 Ca 0.40 -1.66 0.28 0.00 -1.95 0.00 0.00 55.36 52.43 3h9s s GLN 227 Cb 0.33 -1.96 1.06 0.00 -0.22 0.00 0.00 33.01 32.22 3h9s s GLN 227 CO -0.09 0.24 1.75 -0.25 -0.25 0.00 0.00 175.29 176.69 3h9s n ASP 228 N -0.87 0.94 -4.78 5.90 9.92 -1.26 -4.74 116.55 121.66 3h9s n ASP 228 Ca -0.05 -0.99 -0.36 0.00 -0.53 0.00 0.00 54.79 52.86 3h9s n ASP 228 Cb 0.61 0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 41.10 3h9s n ASP 228 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3h9s s ARG 229 N -2.31 3.78 0.23 -1.24 3.52 -1.26 -5.01 118.95 116.66 3h9s s ARG 229 Ca 0.31 1.59 -0.30 0.00 -0.13 0.00 0.00 55.73 57.20 3h9s s ARG 229 Cb 0.20 -2.29 -0.10 0.00 -1.56 0.00 0.00 34.95 31.21 3h9s s ARG 229 CO 0.44 -0.49 1.41 0.00 -0.81 0.00 0.00 175.30 175.85 3h9s s ALA 230 N -1.71 3.61 -0.11 6.12 0.00 -1.26 -4.94 121.76 123.46 3h9s s ALA 230 Ca 0.65 1.27 -0.35 0.00 0.00 0.00 0.00 51.96 53.52 3h9s s ALA 230 Cb -0.23 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.22 3h9s s ALA 230 CO 0.28 -0.69 1.84 1.17 0.00 0.00 0.00 175.76 178.37 3h9s n LYS 231 N 2.53 1.99 -1.88 0.00 4.81 -1.26 -4.86 118.16 119.49 3h9s n LYS 231 Ca 0.07 0.73 -0.41 0.00 -0.87 0.00 0.00 58.31 57.83 3h9s n LYS 231 Cb 0.41 -2.54 -0.01 0.00 0.02 0.00 0.00 35.03 32.91 3h9s n LYS 231 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3h9s n PRO 232 N 6.29 3.61 -1.59 1.64 -0.04 -1.26 -4.97 135.00 138.68 3h9s n PRO 232 Ca 0.23 -2.97 -0.30 0.00 -0.04 0.00 0.00 63.50 60.42 3h9s n PRO 232 Cb 0.26 -2.95 0.20 0.00 -0.04 0.00 0.00 33.50 30.97 3h9s n PRO 232 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3h9s s VAL 233 N 1.26 1.86 0.03 0.52 -7.23 -1.26 -2.62 120.40 112.96 3h9s s VAL 233 Ca 0.51 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.37 3h9s s VAL 233 Cb 0.14 -2.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 3h9s s VAL 233 CO -0.06 0.00 1.58 -0.89 -0.31 0.00 0.00 175.10 175.42 3h9s s THR 234 N -3.50 3.31 0.02 5.32 2.01 -0.66 -4.17 115.64 117.97 3h9s s THR 234 Ca 0.71 0.70 -0.27 0.00 0.31 0.00 0.00 61.69 63.14 3h9s s THR 234 Cb -0.07 -3.45 0.09 0.00 0.01 0.00 0.00 72.50 69.07 3h9s s THR 234 CO 0.54 -0.01 0.76 0.00 -0.69 0.00 0.00 174.62 175.22 3h9s s GLN 235 N 2.74 1.00 -0.22 4.92 -2.07 -0.79 -4.92 119.66 120.32 3h9s s GLN 235 Ca 0.71 -0.18 -0.10 0.00 -1.82 0.00 0.00 55.36 53.97 3h9s s GLN 235 Cb -0.36 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 3h9s s GLN 235 CO 0.30 -0.40 0.13 0.42 -1.32 0.00 0.00 175.29 174.42 3h9s s ILE 236 N -2.66 5.17 -0.16 3.63 1.01 -1.26 -0.79 121.20 126.14 3h9s s ILE 236 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 3h9s s ILE 236 Cb -0.01 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 3h9s s ILE 236 CO -0.05 0.38 -0.14 -0.69 0.00 0.00 0.00 174.94 174.44 3h9s s VAL 237 N 0.88 2.78 0.03 2.92 1.01 0.59 -4.96 120.40 123.65 3h9s s VAL 237 Ca 0.07 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3h9s s VAL 237 Cb -0.13 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3h9s s VAL 237 CO 0.03 0.51 -0.10 -0.44 0.00 0.00 0.00 175.10 175.10 3h9s s SER 238 N 0.78 4.37 0.13 3.32 0.01 -1.26 -0.75 113.70 120.31 3h9s s SER 238 Ca -0.05 -0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.01 3h9s s SER 238 Cb -0.15 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 65.11 3h9s s SER 238 CO 0.01 0.26 -0.11 0.00 0.41 0.00 0.00 173.24 173.80 3h9s s ALA 239 N -1.00 1.43 0.12 1.44 0.00 0.06 -4.84 121.76 118.97 3h9s s ALA 239 Ca 0.17 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 3h9s s ALA 239 Cb -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3h9s s ALA 239 CO 0.08 -0.02 0.06 -1.83 0.00 0.00 0.00 175.76 174.04 3h9s s GLU 240 N -3.27 0.89 0.07 0.00 -1.05 -1.26 0.43 118.70 114.51 3h9s s GLU 240 Ca 0.13 -1.39 -0.12 0.00 -0.15 0.00 0.00 54.97 53.44 3h9s s GLU 240 Cb -0.01 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 3h9s s GLU 240 CO 0.01 -0.25 0.28 0.00 0.95 0.00 0.00 175.26 176.26 3h9s s ALA 241 N -4.02 -0.57 0.06 -0.84 0.00 -0.45 -4.71 121.76 111.22 3h9s s ALA 241 Ca 0.21 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.06 3h9s s ALA 241 Cb 0.07 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3h9s s ALA 241 CO -0.00 -0.47 -0.24 -1.58 0.00 0.00 0.00 175.76 173.46 3h9s s TRP 242 N -3.13 2.39 0.13 0.00 0.52 -1.26 -1.29 118.94 116.30 3h9s s TRP 242 Ca -0.01 -0.36 -0.35 0.00 0.02 0.00 0.00 56.10 55.40 3h9s s TRP 242 Cb 0.01 -1.39 -0.15 0.00 -1.15 0.00 0.00 33.47 30.80 3h9s s TRP 242 CO -0.07 0.20 1.47 0.41 0.02 0.00 0.00 176.95 178.98 3h9s n GLY 243 N 1.56 0.83 3.44 0.98 0.00 -0.98 -4.98 105.19 106.04 3h9s n GLY 243 Ca -0.17 0.66 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 3h9s n GLY 243 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h9s s ARG 244 N 0.66 3.22 -1.19 1.61 3.52 -1.25 -4.13 118.95 121.39 3h9s s ARG 244 Ca 0.80 -0.81 -0.20 0.00 -0.13 0.00 0.00 55.73 55.40 3h9s s ARG 244 Cb -0.79 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 28.91 3h9s s ARG 244 CO 0.42 -0.51 1.91 0.00 -0.81 0.00 0.00 175.30 176.31 3h9s n ALA 245 N 5.01 3.14 0.65 6.12 0.00 -1.25 -4.56 120.51 129.61 3h9s n ALA 245 Ca -0.13 -3.46 0.08 0.00 0.00 0.00 0.00 53.44 49.93 3h9s n ALA 245 Cb 0.48 -3.56 0.07 0.00 0.00 0.00 0.00 19.45 16.44 3h9s n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25