#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjb s LYS 2 N 0.00 0.44 0.06 0.03 2.36 -1.26 -2.82 119.74 118.55 1sjb s LYS 2 Ca 0.00 1.22 -0.32 0.00 -2.55 0.00 0.00 55.97 54.32 1sjb s LYS 2 Cb 0.00 0.57 -0.11 0.00 -1.05 0.00 0.00 37.83 37.24 1sjb s LYS 2 CO 0.00 -0.24 1.84 -0.11 1.55 0.00 0.00 175.35 178.39 1sjb n LEU 3 N 5.42 3.80 0.00 5.43 0.00 -1.26 -4.19 117.00 126.19 1sjb n LEU 3 Ca -0.10 0.98 -0.15 0.00 0.00 0.00 0.00 56.01 56.74 1sjb n LEU 3 Cb 0.49 -1.48 -0.14 0.00 0.00 0.00 0.00 43.42 42.29 1sjb n LEU 3 CO -0.02 0.06 -0.61 0.28 0.00 0.00 0.00 177.39 177.11 1sjb h SER 4 N 8.71 0.22 -0.27 1.96 0.02 -0.15 -3.46 113.55 120.58 1sjb h SER 4 Ca -0.47 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1sjb h SER 4 Cb 1.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1sjb h SER 4 CO 0.94 1.41 0.00 0.61 -1.14 0.00 0.00 176.83 178.65 1sjb n GLY 5 N 1.75 0.07 2.96 -3.77 0.00 -1.01 -4.40 105.19 100.78 1sjb n GLY 5 Ca -0.23 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1sjb n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjb s VAL 6 N -1.95 0.31 -0.20 1.61 1.01 0.18 0.73 120.40 122.09 1sjb s VAL 6 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1sjb s VAL 6 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1sjb s VAL 6 CO 0.00 -0.10 0.10 -0.70 0.00 0.00 0.00 175.10 174.40 1sjb s GLU 7 N -0.59 4.02 -0.27 2.72 2.12 0.13 0.34 118.70 127.17 1sjb s GLU 7 Ca -0.03 -0.31 -0.07 0.00 0.36 0.00 0.00 54.97 54.92 1sjb s GLU 7 Cb -0.04 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1sjb s GLU 7 CO -0.00 0.21 0.07 -0.51 -0.54 0.00 0.00 175.26 174.48 1sjb s LEU 8 N 0.59 3.61 0.13 2.70 1.43 0.12 -1.40 118.68 125.85 1sjb s LEU 8 Ca 0.05 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 1sjb s LEU 8 Cb -0.12 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1sjb s LEU 8 CO 0.01 -0.11 -0.19 -0.13 0.23 0.00 0.00 176.35 176.16 1sjb s ARG 9 N 1.55 1.75 -0.19 1.70 0.52 -0.54 -0.75 118.95 122.98 1sjb s ARG 9 Ca 0.05 -1.22 -0.02 0.00 -0.52 0.00 0.00 55.73 54.02 1sjb s ARG 9 Cb -0.16 -2.08 -0.00 0.00 0.52 0.00 0.00 34.95 33.22 1sjb s ARG 9 CO 0.03 0.47 -0.10 1.03 0.02 0.00 0.00 175.30 176.74 1sjb s ARG 10 N -2.20 3.27 0.00 3.54 0.52 0.12 -1.61 118.95 122.58 1sjb s ARG 10 Ca 0.18 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 1sjb s ARG 10 Cb -0.10 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 1sjb s ARG 10 CO 0.10 -0.14 -0.22 0.08 0.02 0.00 0.00 175.30 175.14 1sjb s VAL 11 N 1.25 2.42 -0.17 3.52 1.01 -0.87 0.38 120.40 127.93 1sjb s VAL 11 Ca 0.03 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1sjb s VAL 11 Cb -0.14 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1sjb s VAL 11 CO -0.05 0.49 -0.15 -1.10 0.00 0.00 0.00 175.10 174.30 1sjb s GLN 12 N -0.93 2.41 -0.07 2.72 -0.21 -0.27 -1.22 119.66 122.08 1sjb s GLN 12 Ca 0.12 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.79 1sjb s GLN 12 Cb -0.10 -2.33 0.01 0.00 1.00 0.00 0.00 33.01 31.59 1sjb s GLN 12 CO 0.01 -0.29 -0.12 -1.64 -2.12 0.00 0.00 175.29 171.13 1sjb s MET 13 N 1.40 1.73 0.22 2.91 -1.94 -0.13 -4.76 119.30 118.73 1sjb s MET 13 Ca 0.03 -0.41 -0.24 0.00 -1.71 0.00 0.00 55.69 53.36 1sjb s MET 13 Cb -0.14 -1.46 -0.09 0.00 2.01 0.00 0.00 34.83 35.15 1sjb s MET 13 CO -0.10 -0.00 0.81 -2.14 -0.01 0.00 0.00 175.02 173.57 1sjb s PRO 14 N 0.77 4.49 0.02 2.03 0.02 -1.26 0.16 135.00 141.24 1sjb s PRO 14 Ca -0.12 1.13 -0.22 0.00 0.02 0.00 0.00 61.00 61.80 1sjb s PRO 14 Cb -0.15 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.26 1sjb s PRO 14 CO 0.02 0.45 0.64 -0.51 -0.33 0.00 0.00 177.00 177.28 1sjb s LEU 15 N -1.60 4.44 0.51 -5.54 1.43 -0.28 -4.65 118.68 113.00 1sjb s LEU 15 Ca 0.41 1.26 0.27 0.00 -1.03 0.00 0.00 54.13 55.04 1sjb s LEU 15 Cb -0.20 -3.01 1.38 0.00 0.03 0.00 0.00 46.19 44.39 1sjb s LEU 15 CO 0.24 0.10 1.93 -0.37 0.23 0.00 0.00 176.35 178.48 1sjb h VAL 16 N 4.05 0.65 -2.37 -1.59 -1.51 -1.27 -3.39 116.25 110.81 1sjb h VAL 16 Ca -0.45 -0.03 -0.06 0.00 -1.23 0.00 0.00 66.70 64.94 1sjb h VAL 16 Cb 1.20 0.57 -0.24 0.00 -2.13 0.00 0.00 31.29 30.69 1sjb h VAL 16 CO 0.69 0.01 -0.18 0.00 -1.23 0.00 0.00 177.57 176.86 1sjb s ALA 17 N -5.07 -1.40 0.30 5.19 0.00 -1.26 -5.10 121.76 114.42 1sjb s ALA 17 Ca -0.06 1.89 -0.27 0.00 0.00 0.00 0.00 51.96 53.53 1sjb s ALA 17 Cb 0.21 -1.18 -0.14 0.00 0.00 0.00 0.00 23.12 22.00 1sjb s ALA 17 CO 0.76 -0.38 0.79 -2.30 0.00 0.00 0.00 175.76 174.63 1sjb n PRO 18 N 4.44 0.87 -4.52 0.00 -0.02 -1.26 -4.97 135.00 129.54 1sjb n PRO 18 Ca -0.20 0.31 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 1sjb n PRO 18 Cb 0.56 -1.58 -0.15 0.00 -0.02 0.00 0.00 33.50 32.30 1sjb n PRO 18 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1sjb s PHE 19 N -1.15 2.77 -0.15 6.00 2.19 0.25 -4.92 117.98 122.97 1sjb s PHE 19 Ca 0.61 -1.11 0.01 0.00 0.33 0.00 0.00 56.93 56.78 1sjb s PHE 19 Cb -0.73 -1.88 0.00 0.00 -1.31 0.00 0.00 43.02 39.10 1sjb s PHE 19 CO 0.59 -0.51 -0.18 0.50 1.83 0.00 0.00 175.22 177.45 1sjb s ARG 20 N 0.84 3.15 0.40 10.12 3.52 -1.26 -0.15 118.95 135.57 1sjb s ARG 20 Ca -0.05 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1sjb s ARG 20 Cb -0.15 -2.55 -0.00 0.00 -1.56 0.00 0.00 34.95 30.69 1sjb s ARG 20 CO -0.01 0.02 0.01 0.25 -0.81 0.00 0.00 175.30 174.76 1sjb n THR 21 N 4.02 0.00 0.29 4.11 -2.24 -0.76 0.05 114.28 119.76 1sjb n THR 21 Ca -0.19 -1.91 0.16 0.00 -2.27 0.00 0.00 64.05 59.84 1sjb n THR 21 Cb 0.52 0.42 0.87 0.00 -2.10 0.00 0.00 70.33 70.03 1sjb n THR 21 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sjb h SER 22 N 1.01 0.00 0.07 3.42 4.64 -1.80 -3.00 113.55 117.89 1sjb h SER 22 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1sjb h SER 22 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1sjb h SER 22 CO 0.54 0.06 -0.98 2.22 -0.87 0.00 0.00 176.83 177.80 1sjb n PHE 23 N -3.41 0.01 0.00 4.77 -1.74 -1.26 -5.03 117.46 110.80 1sjb n PHE 23 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.87 1sjb n PHE 23 Cb 0.19 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.14 1sjb n PHE 23 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sjb n GLY 24 N 1.49 -0.06 3.29 4.97 0.00 -1.14 -5.04 105.19 108.70 1sjb n GLY 24 Ca 0.04 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1sjb n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjb s THR 25 N -2.00 2.76 -0.07 2.61 2.01 -1.26 -1.83 115.64 117.86 1sjb s THR 25 Ca 0.00 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1sjb s THR 25 Cb 0.00 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1sjb s THR 25 CO 0.00 0.51 -0.25 -1.58 -0.69 0.00 0.00 174.62 172.62 1sjb s GLN 26 N 0.71 2.69 -0.00 4.92 0.74 0.79 -4.96 119.66 124.56 1sjb s GLN 26 Ca -0.07 -0.90 0.01 0.00 0.05 0.00 0.00 55.36 54.45 1sjb s GLN 26 Cb -0.16 -2.21 -0.01 0.00 1.10 0.00 0.00 33.01 31.74 1sjb s GLN 26 CO 0.02 0.33 0.03 -1.13 -0.55 0.00 0.00 175.29 173.98 1sjb n SER 27 N 3.10 0.99 -3.79 6.67 3.41 -1.26 0.86 113.62 123.60 1sjb n SER 27 Ca -0.18 -0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 57.89 1sjb n SER 27 Cb 0.52 1.01 -0.13 0.00 -0.26 0.00 0.00 64.21 65.35 1sjb n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sjb s VAL 28 N -1.26 -0.02 -0.05 -3.33 1.01 -1.26 -1.12 120.40 114.36 1sjb s VAL 28 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1sjb s VAL 28 Cb 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1sjb s VAL 28 CO 0.03 0.03 0.37 -0.60 0.00 0.00 0.00 175.10 174.93 1sjb s ARG 29 N 0.57 3.97 -0.18 2.72 3.00 0.42 -4.92 118.95 124.53 1sjb s ARG 29 Ca -0.04 0.31 0.01 0.00 -1.00 0.00 0.00 55.73 55.00 1sjb s ARG 29 Cb -0.06 -3.28 0.01 0.00 0.00 0.00 0.00 34.95 31.63 1sjb s ARG 29 CO -0.03 0.57 -0.18 -1.21 0.00 0.00 0.00 175.30 174.45 1sjb s GLU 30 N -0.62 3.06 0.30 5.12 2.02 -1.26 -0.96 118.70 126.36 1sjb s GLU 30 Ca 0.22 -0.80 0.11 0.00 0.02 0.00 0.00 54.97 54.52 1sjb s GLU 30 Cb -0.15 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.41 1sjb s GLU 30 CO 0.10 -0.17 -0.16 -0.51 0.02 0.00 0.00 175.26 174.55 1sjb s LEU 31 N 1.22 2.65 -0.13 1.80 1.43 -0.35 -4.47 118.68 120.82 1sjb s LEU 31 Ca 0.03 -1.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1sjb s LEU 31 Cb -0.14 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.04 1sjb s LEU 31 CO -0.09 -0.05 -0.14 -0.22 0.23 0.00 0.00 176.35 176.07 1sjb s LEU 32 N -3.55 1.66 0.16 1.79 0.20 -1.26 -2.05 118.68 115.63 1sjb s LEU 32 Ca 0.31 -0.46 0.10 0.00 0.69 0.00 0.00 54.13 54.78 1sjb s LEU 32 Cb -0.02 -1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.57 1sjb s LEU 32 CO 0.16 -0.04 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.22 1sjb s LEU 33 N 1.36 2.60 -0.05 -0.68 1.43 -0.63 -0.64 118.68 122.06 1sjb s LEU 33 Ca 0.02 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1sjb s LEU 33 Cb -0.13 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1sjb s LEU 33 CO -0.08 0.14 -0.10 -0.76 0.23 0.00 0.00 176.35 175.78 1sjb s LEU 34 N -2.51 1.60 -0.35 1.79 1.43 0.13 -1.47 118.68 119.31 1sjb s LEU 34 Ca 0.20 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1sjb s LEU 34 Cb -0.09 -0.71 0.07 0.00 0.03 0.00 0.00 46.19 45.49 1sjb s LEU 34 CO 0.11 0.02 0.11 -0.60 0.23 0.00 0.00 176.35 176.22 1sjb s ARG 35 N 0.63 2.37 -0.03 1.70 3.52 -0.49 0.09 118.95 126.73 1sjb s ARG 35 Ca -0.12 -1.42 -0.16 0.00 -0.13 0.00 0.00 55.73 53.90 1sjb s ARG 35 Cb -0.14 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1sjb s ARG 35 CO 0.03 -0.79 0.43 0.00 -0.81 0.00 0.00 175.30 174.15 1sjb s ALA 36 N 1.27 3.63 -0.17 6.12 0.00 0.79 0.23 121.76 133.63 1sjb s ALA 36 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 1sjb s ALA 36 Cb -0.21 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1sjb s ALA 36 CO -0.01 0.33 -0.06 0.08 0.00 0.00 0.00 175.76 176.10 1sjb s VAL 37 N -0.54 3.60 0.20 0.00 1.01 0.22 -1.43 120.40 123.46 1sjb s VAL 37 Ca 0.24 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1sjb s VAL 37 Cb -0.16 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1sjb s VAL 37 CO 0.12 0.48 -0.04 0.42 0.00 0.00 0.00 175.10 176.08 1sjb s THR 38 N 0.63 1.07 0.53 3.92 -4.23 -0.71 0.65 115.64 117.50 1sjb s THR 38 Ca -0.04 -2.04 0.28 0.00 -1.18 0.00 0.00 61.69 58.71 1sjb s THR 38 Cb -0.15 -2.15 0.33 0.00 1.34 0.00 0.00 72.50 71.87 1sjb s THR 38 CO 0.03 -0.49 2.19 -0.65 -0.54 0.00 0.00 174.62 175.16 1sjb h PRO 39 N 2.60 0.00 0.00 3.99 0.11 -1.98 -2.20 132.00 134.52 1sjb h PRO 39 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1sjb h PRO 39 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sjb h PRO 39 CO 0.64 0.04 -0.43 0.00 -0.21 0.00 0.00 178.00 178.05 1sjb h ALA 40 N 1.96 0.77 0.00 -0.75 0.00 -1.95 -3.50 119.26 115.79 1sjb h ALA 40 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sjb h ALA 40 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sjb h ALA 40 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1sjb n GLY 41 N 1.18 0.20 3.98 0.00 0.00 -0.83 -4.77 105.19 104.95 1sjb n GLY 41 Ca 0.03 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.15 1sjb n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjb s GLU 42 N -1.97 3.21 -0.02 1.61 2.02 -1.26 -1.74 118.70 120.54 1sjb s GLU 42 Ca 0.00 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 1sjb s GLU 42 Cb 0.00 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.45 1sjb s GLU 42 CO 0.00 0.10 0.14 0.20 0.02 0.00 0.00 175.26 175.72 1sjb s GLY 43 N -4.13 -0.01 -0.09 -1.39 0.00 -0.51 -3.95 107.32 97.24 1sjb s GLY 43 Ca 0.43 0.08 0.01 0.00 0.00 0.00 0.00 44.72 45.24 1sjb s GLY 43 CO 0.32 -0.03 -0.13 -0.98 0.00 0.00 0.00 173.10 172.28 1sjb s TRP 44 N -0.82 2.77 0.06 1.90 0.52 -1.26 -0.15 118.94 121.97 1sjb s TRP 44 Ca -0.09 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.70 1sjb s TRP 44 Cb -0.05 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1sjb s TRP 44 CO 0.01 -0.01 -0.18 0.20 0.02 0.00 0.00 176.95 177.00 1sjb s GLY 45 N -0.18 1.01 -0.03 0.98 0.00 0.11 -3.50 107.32 105.70 1sjb s GLY 45 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 44.72 43.77 1sjb s GLY 45 CO 0.03 -0.98 -0.21 1.85 0.00 0.00 0.00 173.10 173.79 1sjb s GLU 46 N -1.36 1.95 -0.11 2.90 2.12 -1.26 0.20 118.70 123.14 1sjb s GLU 46 Ca 0.04 -0.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 1sjb s GLU 46 Cb -0.09 -1.78 -0.04 0.00 0.26 0.00 0.00 34.13 32.49 1sjb s GLU 46 CO 0.02 0.39 0.05 0.00 -0.54 0.00 0.00 175.26 175.19 1sjb n VAL 48 N 2.32 0.36 -1.24 0.00 0.24 -1.26 -4.26 118.33 114.49 1sjb n VAL 48 Ca -0.19 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.34 61.35 1sjb n VAL 48 Cb 0.54 0.42 0.13 0.00 -1.47 0.00 0.00 33.84 33.45 1sjb n VAL 48 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sjb s THR 49 N -1.64 2.79 0.13 3.34 -4.23 -1.26 -5.04 115.64 109.73 1sjb s THR 49 Ca 0.31 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1sjb s THR 49 Cb 0.17 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.25 1sjb s THR 49 CO 0.24 -0.34 0.02 0.23 -0.54 0.00 0.00 174.62 174.24 1sjb n MET 50 N -3.79 1.19 -0.06 3.99 0.00 -1.26 -4.65 117.12 112.52 1sjb n MET 50 Ca 0.07 -1.02 -0.12 0.00 0.00 0.00 0.00 57.70 56.63 1sjb n MET 50 Cb 0.55 0.43 -0.08 0.00 0.00 0.00 0.00 33.22 34.12 1sjb n MET 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sjb h ALA 51 N 1.14 -0.76 -6.21 3.04 0.00 -1.94 0.38 119.26 114.91 1sjb h ALA 51 Ca -0.10 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.26 1sjb h ALA 51 Cb 0.36 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1sjb h ALA 51 CO 0.17 -0.95 -0.16 0.41 0.00 0.00 0.00 179.25 178.71 1sjb n GLY 52 N -1.33 2.34 2.89 0.00 0.00 -1.26 -3.93 105.19 103.89 1sjb n GLY 52 Ca -0.04 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 1sjb n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sjb n PRO 53 N -2.02 4.63 -0.06 1.61 -0.04 -1.26 -4.55 135.00 133.31 1sjb n PRO 53 Ca 0.07 -4.60 -0.04 0.00 -0.04 0.00 0.00 63.50 58.90 1sjb n PRO 53 Cb 0.60 -2.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 1sjb n PRO 53 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sjb n LEU 54 N 0.93 0.00 0.01 1.53 4.77 -1.26 -4.48 117.00 118.50 1sjb n LEU 54 Ca 0.31 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1sjb n LEU 54 Cb 0.32 0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 1sjb n LEU 54 CO 0.66 0.28 -0.51 0.22 -1.33 0.00 0.00 177.39 176.71 1sjb h TYR 55 N 0.00 0.26 -3.39 -1.77 5.03 -1.90 -3.48 116.97 111.72 1sjb h TYR 55 Ca -0.31 -0.19 -0.11 0.00 2.58 0.00 0.00 58.73 60.71 1sjb h TYR 55 Cb 1.64 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.89 1sjb h TYR 55 CO 0.00 1.32 0.11 -1.54 -1.32 0.00 0.00 178.16 176.73 1sjb s SER 56 N -6.63 0.32 0.56 -2.11 1.04 -1.26 -5.03 113.70 100.58 1sjb s SER 56 Ca -0.10 -1.25 0.31 0.00 0.48 0.00 0.00 55.95 55.38 1sjb s SER 56 Cb 0.07 0.78 1.66 0.00 0.10 0.00 0.00 66.02 68.64 1sjb s SER 56 CO 0.82 -1.55 2.15 0.77 0.98 0.00 0.00 173.24 176.41 1sjb h SER 57 N 2.04 0.00 -3.72 7.02 4.64 -1.95 -3.40 113.55 118.19 1sjb h SER 57 Ca -0.30 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.52 1sjb h SER 57 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1sjb h SER 57 CO 0.39 0.07 0.30 -1.61 -0.87 0.00 0.00 176.83 175.11 1sjb s GLU 58 N -4.24 4.72 0.05 4.77 2.02 -1.26 -4.74 118.70 120.01 1sjb s GLU 58 Ca -0.03 1.36 -0.05 0.00 0.02 0.00 0.00 54.97 56.26 1sjb s GLU 58 Cb 0.13 -3.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 1sjb s GLU 58 CO 0.55 0.48 0.10 1.52 0.02 0.00 0.00 175.26 177.93 1sjb s TYR 59 N -1.27 0.24 0.10 1.61 1.13 -1.26 -4.39 117.35 113.52 1sjb s TYR 59 Ca 0.42 -0.62 -0.20 0.00 -1.41 0.00 0.00 57.07 55.26 1sjb s TYR 59 Cb -0.24 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.41 1sjb s TYR 59 CO 0.29 -0.41 1.29 0.09 -2.51 0.00 0.00 175.55 174.30 1sjb n ASN 60 N 0.48 -0.68 -0.06 -0.18 3.02 0.12 -0.49 115.26 117.47 1sjb n ASN 60 Ca -0.17 1.44 0.15 0.00 -0.03 0.00 0.00 54.58 55.96 1sjb n ASN 60 Cb 0.60 -0.30 0.56 0.00 -0.61 0.00 0.00 39.78 40.03 1sjb n ASN 60 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1sjb h ASP 61 N 0.00 0.26 0.03 6.41 5.19 -1.85 -0.87 116.42 125.60 1sjb h ASP 61 Ca 0.10 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.35 1sjb h ASP 61 Cb 0.26 -0.05 0.02 0.00 0.18 0.00 0.00 39.33 39.74 1sjb h ASP 61 CO -0.60 0.15 -0.71 1.23 -3.12 0.00 0.00 179.24 176.19 1sjb h GLY 62 N 0.29 0.47 0.76 2.75 0.00 -1.27 -2.88 103.07 103.19 1sjb h GLY 62 Ca 0.28 -0.89 0.03 0.00 0.00 0.00 0.00 47.33 46.75 1sjb h GLY 62 CO -0.06 0.79 0.11 0.00 0.00 0.00 0.00 176.54 177.38 1sjb h ALA 63 N 0.28 0.35 -0.36 3.60 0.00 -0.02 -2.42 119.26 120.70 1sjb h ALA 63 Ca -0.10 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1sjb h ALA 63 Cb 1.43 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1sjb h ALA 63 CO 0.14 -0.29 -0.05 1.49 0.00 0.00 0.00 179.25 180.54 1sjb h GLU 64 N 0.25 0.04 0.48 0.00 4.81 -1.25 0.37 114.58 119.28 1sjb h GLU 64 Ca 0.14 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1sjb h GLU 64 Cb 0.10 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1sjb h GLU 64 CO -0.13 0.03 -0.30 1.25 -0.73 0.00 0.00 179.01 179.13 1sjb h HIS 65 N 0.04 -0.79 -0.79 0.92 2.76 -1.26 -0.61 115.15 115.43 1sjb h HIS 65 Ca 0.17 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1sjb h HIS 65 Cb 0.25 0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.45 1sjb h HIS 65 CO -0.29 -0.46 0.51 -0.24 -1.30 0.00 0.00 177.93 176.16 1sjb h VAL 66 N -0.74 1.06 -0.38 5.26 3.04 -1.24 0.43 116.25 123.68 1sjb h VAL 66 Ca -0.05 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 1sjb h VAL 66 Cb 0.61 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1sjb h VAL 66 CO 0.05 0.16 0.15 -0.07 -1.01 0.00 0.00 177.57 176.85 1sjb h LEU 67 N 0.88 0.53 0.48 3.16 3.38 -0.49 0.19 115.31 123.44 1sjb h LEU 67 Ca 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1sjb h LEU 67 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sjb h LEU 67 CO -0.11 0.56 -0.23 0.03 0.09 0.00 0.00 178.44 178.77 1sjb h ARG 68 N 0.46 -0.63 -0.00 1.13 3.08 -0.12 1.13 114.38 119.43 1sjb h ARG 68 Ca 0.13 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1sjb h ARG 68 Cb 0.20 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1sjb h ARG 68 CO -0.01 -0.33 -0.34 0.72 -1.07 0.00 0.00 179.97 178.93 1sjb n HIS 69 N -5.29 0.00 0.02 3.04 8.25 0.14 -4.38 115.22 116.99 1sjb n HIS 69 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1sjb n HIS 69 Cb 0.31 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1sjb n HIS 69 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sjb n TYR 70 N -1.25 -0.30 -0.03 4.41 4.02 0.39 -4.84 117.16 119.56 1sjb n TYR 70 Ca 0.08 0.05 -0.14 0.00 -0.01 0.00 0.00 57.90 57.88 1sjb n TYR 70 Cb 0.33 0.48 -0.11 0.00 -0.02 0.00 0.00 39.34 40.02 1sjb n TYR 70 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1sjb h LEU 71 N 0.00 0.14 0.12 7.72 3.38 -0.64 -2.66 115.31 123.38 1sjb h LEU 71 Ca 0.00 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 57.22 1sjb h LEU 71 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1sjb h LEU 71 CO 0.00 0.88 -0.14 0.40 0.09 0.00 0.00 178.44 179.67 1sjb h ILE 72 N -0.58 0.68 -0.85 1.22 2.04 0.11 -2.49 117.51 117.64 1sjb h ILE 72 Ca -0.02 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 1sjb h ILE 72 Cb 0.89 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.54 1sjb h ILE 72 CO 0.03 0.00 0.35 -0.65 0.00 0.00 0.00 178.15 177.88 1sjb h PRO 73 N -0.30 0.40 -0.07 2.37 0.11 -1.71 0.91 132.00 133.71 1sjb h PRO 73 Ca 0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1sjb h PRO 73 Cb 0.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1sjb h PRO 73 CO -0.05 0.26 -0.21 0.00 -0.21 0.00 0.00 178.00 177.80 1sjb h ALA 74 N 1.66 1.53 0.20 -0.75 0.00 -1.08 0.42 119.26 121.23 1sjb h ALA 74 Ca 0.51 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 1sjb h ALA 74 Cb 0.91 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.66 1sjb h ALA 74 CO -0.50 0.34 -1.39 -0.07 0.00 0.00 0.00 179.25 177.63 1sjb h LEU 75 N 0.11 0.65 -1.36 0.00 3.38 -0.46 -3.22 115.31 114.40 1sjb h LEU 75 Ca 0.02 -0.71 0.06 0.00 0.09 0.00 0.00 57.88 57.34 1sjb h LEU 75 Cb 0.43 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1sjb h LEU 75 CO 0.03 1.56 0.48 -0.07 0.09 0.00 0.00 178.44 180.53 1sjb h LEU 76 N 0.11 0.68 -1.15 1.67 3.38 -0.46 -0.38 115.31 119.16 1sjb h LEU 76 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sjb h LEU 76 Cb 2.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1sjb h LEU 76 CO 0.24 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1sjb n ALA 77 N -2.44 2.03 -2.46 1.53 0.00 0.07 -4.82 120.51 114.42 1sjb n ALA 77 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 1sjb n ALA 77 Cb 0.22 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 1sjb n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjb s ALA 78 N -0.80 2.62 0.04 0.00 0.00 -0.16 -5.01 121.76 118.46 1sjb s ALA 78 Ca 0.00 -1.56 0.10 0.00 0.00 0.00 0.00 51.96 50.49 1sjb s ALA 78 Cb 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 23.12 22.48 1sjb s ALA 78 CO 0.00 0.46 1.08 0.93 0.00 0.00 0.00 175.76 178.23 1sjb h GLU 79 N 3.25 0.00 -4.34 0.00 4.39 -1.87 -3.45 114.58 112.56 1sjb h GLU 79 Ca -0.47 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 58.99 1sjb h GLU 79 Cb 1.20 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.63 1sjb h GLU 79 CO 0.48 0.78 -0.72 0.34 -1.16 0.00 0.00 179.01 178.73 1sjb s ASP 80 N -6.46 0.62 0.00 1.42 -1.08 -1.26 -4.75 116.67 105.16 1sjb s ASP 80 Ca -0.01 -0.51 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 1sjb s ASP 80 Cb 0.09 0.05 -0.00 0.00 -1.46 0.00 0.00 42.92 41.60 1sjb s ASP 80 CO 0.82 -0.22 -0.01 -0.63 0.52 0.00 0.00 175.17 175.64 1sjb s ILE 81 N -1.33 0.07 0.08 4.11 -1.09 -1.13 -5.00 121.20 116.91 1sjb s ILE 81 Ca -0.11 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.00 1sjb s ILE 81 Cb -0.10 -0.09 0.01 0.00 -1.58 0.00 0.00 42.46 40.70 1sjb s ILE 81 CO -0.00 -0.08 0.26 0.42 -1.23 0.00 0.00 174.94 174.32 1sjb s THR 82 N -0.27 0.11 0.14 2.92 -4.23 -1.26 -4.12 115.64 108.93 1sjb s THR 82 Ca -0.03 -0.89 -0.18 0.00 -1.18 0.00 0.00 61.69 59.42 1sjb s THR 82 Cb -0.02 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 1sjb s THR 82 CO -0.00 -0.49 1.79 0.00 -0.54 0.00 0.00 174.62 175.37 1sjb h ALA 83 N 2.87 0.38 -0.17 3.99 0.00 -1.92 -1.17 119.26 123.24 1sjb h ALA 83 Ca -0.33 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1sjb h ALA 83 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1sjb h ALA 83 CO 0.51 -0.19 0.25 0.00 0.00 0.00 0.00 179.25 179.82 1sjb h ALA 84 N 1.13 1.67 -0.01 0.00 0.00 -1.97 -0.88 119.26 119.20 1sjb h ALA 84 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sjb h ALA 84 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sjb h ALA 84 CO -0.05 -0.34 -0.49 1.63 0.00 0.00 0.00 179.25 180.00 1sjb n LYS 85 N -3.50 0.64 -0.31 0.00 5.02 -0.48 -4.18 118.16 115.34 1sjb n LYS 85 Ca 0.01 -0.46 -0.04 0.00 -2.02 0.00 0.00 58.31 55.80 1sjb n LYS 85 Cb 0.37 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1sjb n LYS 85 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1sjb h VAL 86 N 1.11 1.24 0.92 -0.18 2.07 -0.69 -2.18 116.25 118.54 1sjb h VAL 86 Ca 0.00 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1sjb h VAL 86 Cb 0.57 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1sjb h VAL 86 CO 0.00 0.26 -0.49 0.74 0.02 0.00 0.00 177.57 178.10 1sjb h THR 87 N 1.16 0.00 -0.97 2.57 2.02 -1.74 -0.59 112.91 115.36 1sjb h THR 87 Ca 0.30 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.62 1sjb h THR 87 Cb -0.01 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.31 1sjb h THR 87 CO -0.05 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 175.80 1sjb h PRO 88 N -1.29 0.82 -0.59 6.66 0.10 -1.81 0.37 132.00 136.26 1sjb h PRO 88 Ca -0.12 -0.05 -0.05 0.00 0.10 0.00 0.00 66.00 65.87 1sjb h PRO 88 Cb 1.00 -0.19 -0.03 0.00 0.10 0.00 0.00 31.00 31.89 1sjb h PRO 88 CO 0.18 0.54 0.15 -0.07 0.10 0.00 0.00 178.00 178.90 1sjb h LEU 89 N 0.85 0.86 -1.98 2.35 3.38 -1.05 -2.93 115.31 116.79 1sjb h LEU 89 Ca 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1sjb h LEU 89 Cb 0.65 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sjb h LEU 89 CO -0.26 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.28 1sjb n LEU 90 N -4.26 3.05 -0.11 1.67 4.77 -0.26 -4.51 117.00 117.35 1sjb n LEU 90 Ca 0.04 -1.06 0.26 0.00 -0.03 0.00 0.00 56.01 55.23 1sjb n LEU 90 Cb 0.23 -0.03 0.72 0.00 -2.33 0.00 0.00 43.42 42.01 1sjb n LEU 90 CO 0.41 0.53 1.24 0.00 -1.33 0.00 0.00 177.39 178.24 1sjb h ALA 91 N 4.68 2.69 0.00 -1.18 0.00 -0.12 -1.94 119.26 123.39 1sjb h ALA 91 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sjb h ALA 91 Cb 0.99 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1sjb h ALA 91 CO 0.00 -1.00 0.00 1.57 0.00 0.00 0.00 179.25 179.82 1sjb h LYS 92 N 0.00 0.00 -5.22 0.00 2.10 -1.80 -3.40 116.57 108.25 1sjb h LYS 92 Ca 0.37 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.40 1sjb h LYS 92 Cb 1.57 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.76 1sjb h LYS 92 CO -0.00 0.00 -0.23 -0.06 -2.00 0.00 0.00 179.45 177.15 1sjb s PHE 93 N -3.93 3.28 0.30 0.07 0.40 -0.73 -5.04 117.98 112.33 1sjb s PHE 93 Ca -0.02 0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 56.47 1sjb s PHE 93 Cb 0.11 -2.55 -0.10 0.00 0.51 0.00 0.00 43.02 40.99 1sjb s PHE 93 CO 0.47 -0.16 1.16 0.15 0.70 0.00 0.00 175.22 177.54 1sjb s LYS 94 N 1.85 4.55 6.85 0.44 -0.14 -1.26 -4.86 119.74 127.16 1sjb s LYS 94 Ca 0.16 1.93 0.00 0.00 -1.36 0.00 0.00 55.97 56.70 1sjb s LYS 94 Cb -0.15 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1sjb s LYS 94 CO 0.09 0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.18 1sjb n GLY 95 N 1.06 3.22 4.11 -3.33 0.00 -1.26 -4.93 105.19 104.06 1sjb n GLY 95 Ca -0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1sjb n GLY 95 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sjb n HIS 96 N 13.95 -1.84 -0.28 1.61 8.25 -1.26 -4.86 115.22 130.78 1sjb n HIS 96 Ca 0.00 0.81 -0.00 0.00 -0.26 0.00 0.00 57.72 58.27 1sjb n HIS 96 Cb 0.00 -3.31 0.12 0.00 1.12 0.00 0.00 29.99 27.93 1sjb n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sjb h ARG 97 N -1.68 0.86 -0.49 -0.41 3.08 -1.89 -1.90 114.38 111.94 1sjb h ARG 97 Ca -0.60 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.38 1sjb h ARG 97 Cb 1.38 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1sjb h ARG 97 CO 0.73 0.57 0.21 0.52 -1.07 0.00 0.00 179.97 180.93 1sjb h MET 98 N 0.88 0.72 0.16 0.04 2.86 -1.79 0.80 114.93 118.60 1sjb h MET 98 Ca 0.35 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1sjb h MET 98 Cb 0.17 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1sjb h MET 98 CO -0.17 0.63 -0.08 0.00 1.06 0.00 0.00 176.91 178.35 1sjb h ALA 99 N 1.05 -0.21 -0.70 6.32 0.00 -1.78 -2.14 119.26 121.80 1sjb h ALA 99 Ca 0.16 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1sjb h ALA 99 Cb 0.17 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1sjb h ALA 99 CO -0.02 -0.60 0.41 0.87 0.00 0.00 0.00 179.25 179.91 1sjb h LYS 100 N -0.25 0.74 -0.81 0.00 1.57 -1.25 -1.75 116.57 114.81 1sjb h LYS 100 Ca -0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1sjb h LYS 100 Cb 0.19 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1sjb h LYS 100 CO 0.04 0.49 0.42 0.78 -0.57 0.00 0.00 179.45 180.60 1sjb h GLY 101 N 0.76 1.23 0.92 3.86 0.00 -0.64 0.10 103.07 109.30 1sjb h GLY 101 Ca 0.31 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1sjb h GLY 101 CO -0.17 0.55 0.12 0.00 0.00 0.00 0.00 176.54 177.05 1sjb h ALA 102 N 1.31 0.37 -0.52 3.60 0.00 -0.83 0.14 119.26 123.34 1sjb h ALA 102 Ca 0.28 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1sjb h ALA 102 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sjb h ALA 102 CO -0.04 -0.04 0.11 1.25 0.00 0.00 0.00 179.25 180.53 1sjb h LEU 103 N 0.32 0.81 -0.69 0.00 5.85 -1.11 -2.16 115.31 118.33 1sjb h LEU 103 Ca 0.10 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1sjb h LEU 103 Cb 0.16 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1sjb h LEU 103 CO -0.01 0.85 0.41 -0.08 -0.34 0.00 0.00 178.44 179.26 1sjb h GLU 104 N 0.74 0.95 -0.37 1.25 4.81 -0.66 -1.98 114.58 119.32 1sjb h GLU 104 Ca 0.16 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1sjb h GLU 104 Cb 0.37 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1sjb h GLU 104 CO 0.01 0.69 0.13 1.98 -0.73 0.00 0.00 179.01 181.08 1sjb h MET 105 N 0.95 0.27 0.05 1.92 4.05 -0.32 0.33 114.93 122.17 1sjb h MET 105 Ca 0.25 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 1sjb h MET 105 Cb -0.01 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1sjb h MET 105 CO -0.04 0.18 -0.03 0.00 0.23 0.00 0.00 176.91 177.24 1sjb h ALA 106 N 1.24 -0.07 -0.14 0.39 0.00 -1.15 0.49 119.26 120.02 1sjb h ALA 106 Ca 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1sjb h ALA 106 Cb 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1sjb h ALA 106 CO -0.18 -0.54 -0.01 0.28 0.00 0.00 0.00 179.25 178.80 1sjb h VAL 107 N -0.08 0.88 -0.54 0.00 2.07 -1.17 -1.95 116.25 115.47 1sjb h VAL 107 Ca -0.00 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1sjb h VAL 107 Cb 0.07 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1sjb h VAL 107 CO 0.00 0.00 0.26 0.25 0.02 0.00 0.00 177.57 178.11 1sjb h LEU 108 N 0.03 0.37 -0.67 2.57 5.85 -0.74 -0.75 115.31 121.97 1sjb h LEU 108 Ca 0.07 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1sjb h LEU 108 Cb 0.09 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1sjb h LEU 108 CO -0.12 0.25 0.30 -0.78 -0.34 0.00 0.00 178.44 177.74 1sjb h ASP 109 N 0.51 0.90 -0.40 1.25 3.58 -0.67 0.11 116.42 121.69 1sjb h ASP 109 Ca 0.24 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1sjb h ASP 109 Cb 0.17 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 1sjb h ASP 109 CO -0.18 0.79 0.08 0.00 -2.88 0.00 0.00 179.24 177.06 1sjb h ALA 110 N 1.14 1.25 -0.26 -0.78 0.00 -0.78 -0.82 119.26 119.00 1sjb h ALA 110 Ca 0.23 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1sjb h ALA 110 Cb 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sjb h ALA 110 CO -0.02 0.51 -0.26 1.49 0.00 0.00 0.00 179.25 180.97 1sjb h GLU 111 N 0.71 0.64 -0.58 0.00 4.81 -0.74 -1.72 114.58 117.69 1sjb h GLU 111 Ca 0.15 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 58.95 1sjb h GLU 111 Cb 0.32 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1sjb h GLU 111 CO 0.00 0.94 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.13 1sjb h LEU 112 N 0.36 1.01 -0.49 1.64 3.38 -0.83 -2.25 115.31 118.13 1sjb h LEU 112 Ca 0.04 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1sjb h LEU 112 Cb 0.82 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1sjb h LEU 112 CO 0.06 1.07 0.15 0.03 0.09 0.00 0.00 178.44 179.85 1sjb h ARG 113 N 0.94 0.77 -0.94 1.13 3.08 -1.07 0.61 114.38 118.90 1sjb h ARG 113 Ca 0.17 -0.17 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1sjb h ARG 113 Cb 0.57 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1sjb h ARG 113 CO 0.03 0.72 0.61 0.00 -1.07 0.00 0.00 179.97 180.26 1sjb h ALA 114 N 1.01 1.48 -0.22 0.04 0.00 -1.02 0.17 119.26 120.72 1sjb h ALA 114 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sjb h ALA 114 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sjb h ALA 114 CO -0.00 0.37 0.00 0.72 0.00 0.00 0.00 179.25 180.34 1sjb n HIS 115 N -4.50 0.28 -3.91 0.00 8.25 -0.87 -4.93 115.22 109.55 1sjb n HIS 115 Ca 0.14 -0.14 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 1sjb n HIS 115 Cb 0.20 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.34 1sjb n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1sjb n GLU 116 N 0.55 -5.39 -4.42 -0.41 1.02 0.86 -4.97 120.64 107.88 1sjb n GLU 116 Ca 0.16 0.59 -0.31 0.00 -0.02 0.00 0.00 57.16 57.59 1sjb n GLU 116 Cb 0.38 -5.44 -0.11 0.00 -0.02 0.00 0.00 31.44 26.25 1sjb n GLU 116 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1sjb s ARG 117 N -6.58 2.19 0.26 3.49 3.52 0.17 -4.70 118.95 117.31 1sjb s ARG 117 Ca 0.61 -0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 55.22 1sjb s ARG 117 Cb -0.31 -2.31 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 1sjb s ARG 117 CO 0.83 0.54 0.51 -1.54 -0.81 0.00 0.00 175.30 174.83 1sjb s SER 118 N -1.78 6.44 0.21 -2.12 1.04 -1.26 0.80 113.70 117.04 1sjb s SER 118 Ca 0.18 0.65 -0.09 0.00 0.48 0.00 0.00 55.95 57.17 1sjb s SER 118 Cb -0.11 -2.11 0.31 0.00 0.10 0.00 0.00 66.02 64.21 1sjb s SER 118 CO 0.09 -0.15 1.71 -0.26 0.98 0.00 0.00 173.24 175.62 1sjb h PHE 119 N 1.83 0.26 -0.65 5.02 -1.00 -1.71 0.99 116.94 121.69 1sjb h PHE 119 Ca -0.48 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.35 1sjb h PHE 119 Cb 1.19 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.69 1sjb h PHE 119 CO 0.57 -0.01 0.43 0.00 -1.61 0.00 0.00 178.31 177.70 1sjb h ALA 120 N 1.48 1.56 -0.35 2.45 0.00 -1.86 0.17 119.26 122.71 1sjb h ALA 120 Ca 0.33 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1sjb h ALA 120 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sjb h ALA 120 CO -0.39 0.40 -0.26 0.00 0.00 0.00 0.00 179.25 179.00 1sjb h ALA 121 N 1.60 0.50 -0.63 0.00 0.00 -1.35 0.47 119.26 119.86 1sjb h ALA 121 Ca 0.24 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1sjb h ALA 121 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1sjb h ALA 121 CO -0.06 0.50 0.21 1.49 0.00 0.00 0.00 179.25 181.40 1sjb h GLU 122 N 0.57 0.96 0.00 0.00 4.57 0.11 -3.03 114.58 117.77 1sjb h GLU 122 Ca 0.07 -0.20 -0.18 0.00 -1.18 0.00 0.00 59.36 57.87 1sjb h GLU 122 Cb 0.82 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1sjb h GLU 122 CO 0.07 0.84 -0.86 -0.07 -1.18 0.00 0.00 179.01 177.80 1sjb h LEU 123 N 0.89 0.01 0.00 1.64 3.38 -0.68 -3.48 115.31 117.07 1sjb h LEU 123 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1sjb h LEU 123 Cb 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sjb h LEU 123 CO -0.01 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1sjb n GLY 124 N 0.95 1.68 3.52 0.83 0.00 0.15 -5.03 105.19 107.29 1sjb n GLY 124 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1sjb n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sjb n SER 125 N 0.00 0.05 0.00 1.61 2.88 0.14 -4.66 113.62 113.64 1sjb n SER 125 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1sjb n SER 125 Cb 0.00 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1sjb n SER 125 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1sjb n VAL 126 N -0.51 0.00 -4.43 2.46 0.24 -0.70 -4.95 118.33 110.44 1sjb n VAL 126 Ca 0.11 -0.38 -0.22 0.00 -2.04 0.00 0.00 64.34 61.81 1sjb n VAL 126 Cb 0.37 0.92 -0.10 0.00 -1.47 0.00 0.00 33.84 33.56 1sjb n VAL 126 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1sjb s ARG 127 N -1.01 1.56 0.00 7.34 0.52 -1.19 -5.06 118.95 121.11 1sjb s ARG 127 Ca 0.00 -1.72 0.06 0.00 -0.52 0.00 0.00 55.73 53.55 1sjb s ARG 127 Cb 0.00 -1.48 0.03 0.00 0.52 0.00 0.00 34.95 34.01 1sjb s ARG 127 CO 0.00 0.24 0.61 -0.25 0.02 0.00 0.00 175.30 175.92 1sjb n ASP 128 N -0.55 1.28 -3.56 0.23 8.00 -1.26 -4.88 116.55 115.81 1sjb n ASP 128 Ca -0.06 -1.14 -0.17 0.00 0.71 0.00 0.00 54.79 54.13 1sjb n ASP 128 Cb 0.61 0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 1sjb n ASP 128 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sjb s SER 129 N -0.76 -0.56 0.05 -2.24 1.04 -1.26 -0.88 113.70 109.08 1sjb s SER 129 Ca 0.06 0.54 0.04 0.00 0.48 0.00 0.00 55.95 57.08 1sjb s SER 129 Cb 0.05 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1sjb s SER 129 CO 0.11 -0.61 -0.13 0.68 0.98 0.00 0.00 173.24 174.28 1sjb s VAL 130 N -1.43 1.00 0.17 5.02 -7.23 0.19 -4.90 120.40 113.21 1sjb s VAL 130 Ca -0.10 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1sjb s VAL 130 Cb -0.01 -0.94 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 1sjb s VAL 130 CO 0.07 -0.11 1.28 -2.16 -0.31 0.00 0.00 175.10 173.87 1sjb s PRO 131 N -1.32 4.41 -0.07 4.82 0.04 -1.26 -0.07 135.00 141.56 1sjb s PRO 131 Ca -0.01 1.98 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1sjb s PRO 131 Cb -0.08 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1sjb s PRO 131 CO 0.01 -0.24 -0.24 0.00 0.04 0.00 0.00 177.00 176.58 1sjb n GLY 133 N 3.01 2.42 3.05 0.00 0.00 -0.66 -1.09 105.19 111.92 1sjb n GLY 133 Ca -0.18 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.47 1sjb n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjb s VAL 134 N -1.91 0.57 -0.37 1.61 0.11 -0.86 -4.07 120.40 115.49 1sjb s VAL 134 Ca 0.34 -0.94 -0.12 0.00 -2.93 0.00 0.00 61.98 58.33 1sjb s VAL 134 Cb -0.03 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1sjb s VAL 134 CO 0.22 -0.27 0.23 -0.55 -3.33 0.00 0.00 175.10 171.40 1sjb s SER 135 N -1.32 5.89 -0.22 3.54 0.15 -1.26 -1.70 113.70 118.79 1sjb s SER 135 Ca -0.07 -0.78 -0.11 0.00 0.70 0.00 0.00 55.95 55.69 1sjb s SER 135 Cb -0.09 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.09 1sjb s SER 135 CO 0.00 -0.35 0.17 -0.69 1.20 0.00 0.00 173.24 173.58 1sjb s VAL 136 N 1.64 5.37 0.98 4.45 1.01 0.78 -4.99 120.40 129.64 1sjb s VAL 136 Ca 0.04 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1sjb s VAL 136 Cb -0.18 -3.51 0.24 0.00 0.00 0.00 0.00 36.38 32.92 1sjb s VAL 136 CO 0.08 0.38 1.05 0.61 0.00 0.00 0.00 175.10 177.22 1sjb n GLY 137 N 3.90 -2.17 3.71 4.51 0.00 -1.26 -0.07 105.19 113.81 1sjb n GLY 137 Ca -0.15 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1sjb n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjb s ILE 138 N -3.09 4.74 0.45 -0.61 1.01 0.11 -4.49 121.20 119.32 1sjb s ILE 138 Ca 0.64 2.03 0.07 0.00 0.00 0.00 0.00 60.65 63.39 1sjb s ILE 138 Cb -0.04 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.15 1sjb s ILE 138 CO 0.47 0.19 0.62 -0.04 0.00 0.00 0.00 174.94 176.18 1sjb s MET 139 N 0.79 2.75 0.17 2.79 -1.94 -1.26 -4.59 119.30 118.00 1sjb s MET 139 Ca 0.51 -1.21 0.19 0.00 -1.71 0.00 0.00 55.69 53.48 1sjb s MET 139 Cb -0.22 -2.71 -0.03 0.00 2.01 0.00 0.00 34.83 33.88 1sjb s MET 139 CO 0.29 -0.38 1.03 -0.44 -0.01 0.00 0.00 175.02 175.51 1sjb h ASP 140 N 0.53 0.00 -5.01 3.03 3.32 -1.98 -3.47 116.42 112.84 1sjb h ASP 140 Ca -0.40 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.52 1sjb h ASP 140 Cb 1.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 1sjb h ASP 140 CO 0.46 0.31 -0.45 0.42 -1.72 0.00 0.00 179.24 178.26 1sjb s THR 141 N -3.12 0.09 0.13 0.35 -4.23 -1.26 -5.04 115.64 102.56 1sjb s THR 141 Ca -0.00 -0.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.63 1sjb s THR 141 Cb 0.09 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.35 1sjb s THR 141 CO 0.79 -0.40 1.63 0.40 -0.54 0.00 0.00 174.62 176.50 1sjb h ILE 142 N 4.04 1.23 -0.83 2.99 1.08 -1.98 0.43 117.51 124.46 1sjb h ILE 142 Ca -0.31 -0.79 0.08 0.00 -0.39 0.00 0.00 64.86 63.45 1sjb h ILE 142 Cb 1.19 0.95 -0.07 0.00 -3.07 0.00 0.00 36.82 35.83 1sjb h ILE 142 CO 0.42 0.28 0.50 1.55 -0.69 0.00 0.00 178.15 180.21 1sjb h PRO 143 N 0.53 0.85 -0.30 2.37 0.13 -1.98 0.69 132.00 134.29 1sjb h PRO 143 Ca 0.13 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1sjb h PRO 143 Cb 0.31 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1sjb h PRO 143 CO 0.00 0.56 0.10 0.37 -0.23 0.00 0.00 178.00 178.80 1sjb h GLN 144 N 0.87 0.47 -0.85 0.86 4.15 -1.83 -1.58 115.11 117.19 1sjb h GLN 144 Ca 0.38 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.72 1sjb h GLN 144 Cb 0.26 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1sjb h GLN 144 CO -0.21 0.52 0.56 1.25 -1.93 0.00 0.00 178.83 179.02 1sjb h LEU 145 N 0.33 0.94 -1.41 -2.39 5.85 0.72 -2.20 115.31 117.16 1sjb h LEU 145 Ca 0.10 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1sjb h LEU 145 Cb 0.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1sjb h LEU 145 CO -0.00 0.67 0.26 -0.07 -0.34 0.00 0.00 178.44 178.95 1sjb h LEU 146 N 1.11 0.59 0.22 2.25 3.38 0.87 0.37 115.31 124.10 1sjb h LEU 146 Ca 0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1sjb h LEU 146 Cb -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1sjb h LEU 146 CO -0.09 0.48 -0.11 0.44 0.09 0.00 0.00 178.44 179.25 1sjb h ASP 147 N 0.67 -0.26 -0.45 -0.43 3.32 -0.74 -0.30 116.42 118.23 1sjb h ASP 147 Ca 0.17 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 57.05 1sjb h ASP 147 Cb 0.03 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.55 1sjb h ASP 147 CO -0.03 0.20 -0.25 0.58 -1.72 0.00 0.00 179.24 178.02 1sjb h VAL 148 N -0.78 0.32 -0.86 -1.35 2.07 -1.12 0.46 116.25 114.99 1sjb h VAL 148 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1sjb h VAL 148 Cb 0.51 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1sjb h VAL 148 CO 0.05 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.77 1sjb h VAL 149 N -0.16 1.14 -0.14 2.57 2.07 -0.99 -2.20 116.25 118.55 1sjb h VAL 149 Ca 0.21 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1sjb h VAL 149 Cb 0.49 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1sjb h VAL 149 CO -0.55 0.20 -0.28 1.23 0.02 0.00 0.00 177.57 178.19 1sjb h GLY 150 N 1.08 -0.35 0.39 2.17 0.00 0.16 -2.42 103.07 104.11 1sjb h GLY 150 Ca 0.34 0.35 0.03 0.00 0.00 0.00 0.00 47.33 48.04 1sjb h GLY 150 CO -0.11 -0.21 -0.29 -1.33 0.00 0.00 0.00 176.54 174.59 1sjb h GLY 151 N -0.35 -0.50 0.07 4.60 0.00 -0.34 -1.87 103.07 104.67 1sjb h GLY 151 Ca 0.10 0.35 0.14 0.00 0.00 0.00 0.00 47.33 47.93 1sjb h GLY 151 CO -0.34 -0.23 0.22 -0.97 0.00 0.00 0.00 176.54 175.23 1sjb h TYR 152 N -0.46 0.37 -0.84 5.60 0.99 -1.29 0.17 116.97 121.51 1sjb h TYR 152 Ca 0.05 0.04 0.10 0.00 2.00 0.00 0.00 58.73 60.92 1sjb h TYR 152 Cb 0.53 -0.05 -0.07 0.00 1.00 0.00 0.00 36.73 38.13 1sjb h TYR 152 CO -0.30 -0.01 0.48 -0.07 -0.00 0.00 0.00 178.16 178.26 1sjb h LEU 153 N 0.34 0.69 -0.56 3.88 3.38 -1.02 -0.33 115.31 121.69 1sjb h LEU 153 Ca 0.40 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 1sjb h LEU 153 Cb 0.63 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1sjb h LEU 153 CO -0.44 0.39 0.14 0.44 0.09 0.00 0.00 178.44 179.06 1sjb h ASP 154 N 0.80 0.85 0.34 -0.43 3.32 0.02 -2.51 116.42 118.81 1sjb h ASP 154 Ca 0.41 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1sjb h ASP 154 Cb 0.38 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1sjb h ASP 154 CO -0.25 0.86 0.00 -0.62 -1.72 0.00 0.00 179.24 177.51 1sjb n GLU 155 N -4.39 0.10 0.00 3.56 1.02 0.27 -4.82 120.64 116.37 1sjb n GLU 155 Ca 0.03 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1sjb n GLU 155 Cb 0.23 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1sjb n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sjb n GLY 156 N -0.65 1.18 3.76 0.62 0.00 -0.92 -4.75 105.19 104.44 1sjb n GLY 156 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1sjb n GLY 156 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sjb s TYR 157 N -2.00 2.51 -0.96 1.61 1.51 -0.96 -3.41 117.35 115.65 1sjb s TYR 157 Ca 0.00 1.34 0.23 0.00 -1.01 0.00 0.00 57.07 57.64 1sjb s TYR 157 Cb 0.00 -3.80 0.20 0.00 -0.11 0.00 0.00 41.96 38.25 1sjb s TYR 157 CO 0.00 -2.67 1.19 1.33 -1.11 0.00 0.00 175.55 174.30 1sjb n VAL 158 N -0.39 0.02 -3.48 0.71 0.24 -0.25 -4.72 118.33 110.46 1sjb n VAL 158 Ca 0.06 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.34 62.19 1sjb n VAL 158 Cb 0.43 0.50 -0.04 0.00 -1.47 0.00 0.00 33.84 33.27 1sjb n VAL 158 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1sjb s ARG 159 N -3.02 1.16 -0.01 7.34 3.00 -1.26 -4.27 118.95 121.89 1sjb s ARG 159 Ca 0.09 -0.10 0.08 0.00 -1.00 0.00 0.00 55.73 54.80 1sjb s ARG 159 Cb 0.17 0.54 -0.02 0.00 0.00 0.00 0.00 34.95 35.63 1sjb s ARG 159 CO 0.77 -0.44 -0.25 0.42 0.00 0.00 0.00 175.30 175.80 1sjb s ILE 160 N -2.42 1.98 -0.06 4.11 -1.09 0.39 -2.02 121.20 122.09 1sjb s ILE 160 Ca -0.05 -1.12 0.04 0.00 -2.23 0.00 0.00 60.65 57.29 1sjb s ILE 160 Cb -0.00 -1.65 -0.00 0.00 -1.58 0.00 0.00 42.46 39.22 1sjb s ILE 160 CO -0.01 0.52 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.27 1sjb s LYS 161 N -0.70 2.15 -0.14 2.79 2.20 -0.69 -1.30 119.74 124.05 1sjb s LYS 161 Ca 0.10 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1sjb s LYS 161 Cb -0.10 -1.78 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1sjb s LYS 161 CO -0.00 0.22 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.50 1sjb s LEU 162 N 0.16 2.24 0.21 5.43 1.43 0.14 -0.15 118.68 128.13 1sjb s LEU 162 Ca -0.08 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 1sjb s LEU 162 Cb -0.14 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.51 1sjb s LEU 162 CO 0.04 0.10 1.40 -0.54 0.23 0.00 0.00 176.35 177.58 1sjb s LYS 163 N 0.71 4.31 0.28 1.70 3.01 0.89 -0.27 119.74 130.37 1sjb s LYS 163 Ca -0.09 2.20 0.02 0.00 -1.01 0.00 0.00 55.97 57.09 1sjb s LYS 163 Cb -0.16 -3.16 -0.05 0.00 -1.01 0.00 0.00 37.83 33.45 1sjb s LYS 163 CO 0.01 -0.39 0.10 0.96 0.51 0.00 0.00 175.35 176.54 1sjb s ILE 164 N 0.28 0.61 -0.20 2.17 -4.36 -0.03 -4.48 121.20 115.18 1sjb s ILE 164 Ca 0.60 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.69 1sjb s ILE 164 Cb -0.40 -2.63 0.15 0.00 1.25 0.00 0.00 42.46 40.83 1sjb s ILE 164 CO 0.39 0.00 1.13 -0.70 0.24 0.00 0.00 174.94 176.00 1sjb s GLU 165 N -3.98 0.40 -0.38 0.37 2.12 -0.61 -4.41 118.70 112.21 1sjb s GLU 165 Ca 0.37 0.09 -0.43 0.00 0.36 0.00 0.00 54.97 55.36 1sjb s GLU 165 Cb 0.07 0.19 -0.17 0.00 0.26 0.00 0.00 34.13 34.48 1sjb s GLU 165 CO 0.14 -0.13 1.76 -2.30 -0.54 0.00 0.00 175.26 174.20 1sjb n PRO 166 N 0.62 0.64 -0.06 4.30 -0.02 -1.26 0.37 135.00 139.58 1sjb n PRO 166 Ca -0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1sjb n PRO 166 Cb 0.58 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1sjb n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjb n GLY 167 N 4.60 0.92 2.74 -1.23 0.00 -1.26 -4.95 105.19 106.01 1sjb n GLY 167 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 1sjb n GLY 167 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1sjb n TRP 168 N -2.05 -2.90 0.00 1.61 -0.00 0.16 -5.03 117.44 109.23 1sjb n TRP 168 Ca 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 57.50 55.86 1sjb n TRP 168 Cb 0.00 1.51 0.00 0.00 -0.00 0.00 0.00 31.31 32.82 1sjb n TRP 168 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1sjb n ASP 169 N 1.47 0.00 -0.14 5.87 8.00 -1.25 -1.57 116.55 128.94 1sjb n ASP 169 Ca 0.07 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.53 1sjb n ASP 169 Cb 0.65 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.79 1sjb n ASP 169 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1sjb h VAL 170 N 0.00 0.91 0.20 2.53 2.07 -1.93 -2.02 116.25 118.00 1sjb h VAL 170 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1sjb h VAL 170 Cb 0.00 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1sjb h VAL 170 CO 0.00 0.07 -0.18 -0.33 0.02 0.00 0.00 177.57 177.15 1sjb h GLU 171 N 0.38 -0.36 -1.07 1.57 4.39 -1.95 0.67 114.58 118.20 1sjb h GLU 171 Ca 0.20 0.02 0.32 0.00 0.34 0.00 0.00 59.36 60.24 1sjb h GLU 171 Cb 0.16 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 28.76 1sjb h GLU 171 CO -0.18 -0.24 0.65 -1.00 -1.16 0.00 0.00 179.01 177.08 1sjb h PRO 172 N -0.38 0.33 -0.25 2.33 0.14 -1.91 0.49 132.00 132.76 1sjb h PRO 172 Ca -0.03 -0.02 -0.17 0.00 0.14 0.00 0.00 66.00 65.93 1sjb h PRO 172 Cb 0.32 -0.07 0.00 0.00 0.14 0.00 0.00 31.00 31.39 1sjb h PRO 172 CO -0.01 0.22 -0.51 0.28 0.14 0.00 0.00 178.00 178.12 1sjb h VAL 173 N 0.34 1.29 -0.12 1.56 2.07 -0.68 -2.13 116.25 118.58 1sjb h VAL 173 Ca 0.70 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1sjb h VAL 173 Cb 1.72 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1sjb h VAL 173 CO -0.47 0.55 0.07 -0.09 0.02 0.00 0.00 177.57 177.64 1sjb h ARG 174 N 0.52 0.17 -0.47 1.57 2.43 0.33 -1.30 114.38 117.63 1sjb h ARG 174 Ca 0.01 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1sjb h ARG 174 Cb 1.12 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1sjb h ARG 174 CO 0.11 0.19 0.31 0.00 -1.51 0.00 0.00 179.97 179.08 1sjb h ALA 175 N 0.97 1.92 0.18 2.80 0.00 -0.12 -0.44 119.26 124.57 1sjb h ALA 175 Ca 0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1sjb h ALA 175 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sjb h ALA 175 CO -0.01 0.00 -1.49 0.28 0.00 0.00 0.00 179.25 178.04 1sjb h VAL 176 N 0.41 1.11 -0.63 0.00 2.07 -1.14 -0.82 116.25 117.23 1sjb h VAL 176 Ca 0.20 -2.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 1sjb h VAL 176 Cb 0.28 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1sjb h VAL 176 CO -0.05 0.79 0.28 -0.09 0.02 0.00 0.00 177.57 178.52 1sjb h ARG 177 N -0.06 0.93 0.45 1.57 9.65 -1.11 0.52 114.38 126.33 1sjb h ARG 177 Ca -0.29 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.42 1sjb h ARG 177 Cb 1.96 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 30.39 1sjb h ARG 177 CO 0.16 0.76 -0.21 1.49 2.80 0.00 0.00 179.97 184.97 1sjb h GLU 178 N 0.88 -0.58 -0.14 0.20 4.81 -1.17 0.86 114.58 119.44 1sjb h GLU 178 Ca 0.21 0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1sjb h GLU 178 Cb 0.16 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1sjb h GLU 178 CO -0.02 -0.34 -0.37 -0.09 -0.73 0.00 0.00 179.01 177.45 1sjb h ARG 179 N -0.67 0.51 -0.00 1.92 2.43 -0.96 -3.34 114.38 114.26 1sjb h ARG 179 Ca -0.06 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1sjb h ARG 179 Cb 0.50 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1sjb h ARG 179 CO 0.10 0.97 -0.83 1.19 -1.51 0.00 0.00 179.97 179.89 1sjb n PHE 180 N -4.32 0.00 0.00 2.20 3.01 0.18 -5.07 117.46 113.46 1sjb n PHE 180 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1sjb n PHE 180 Cb 0.52 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1sjb n PHE 180 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjb n GLY 181 N 1.50 1.57 0.02 1.37 0.00 0.30 -4.70 105.19 105.24 1sjb n GLY 181 Ca 0.05 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.18 1sjb n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjb n ASP 182 N 0.00 0.57 -0.01 1.61 8.00 -1.26 -4.09 116.55 121.37 1sjb n ASP 182 Ca 0.00 -0.21 0.14 0.00 0.71 0.00 0.00 54.79 55.43 1sjb n ASP 182 Cb 0.00 0.33 0.59 0.00 -0.02 0.00 0.00 41.12 42.02 1sjb n ASP 182 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sjb n ASP 183 N -1.67 0.11 -4.78 -2.24 8.00 -1.26 -4.86 116.55 109.85 1sjb n ASP 183 Ca 0.05 0.21 -0.37 0.00 0.71 0.00 0.00 54.79 55.39 1sjb n ASP 183 Cb 0.37 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1sjb n ASP 183 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sjb s VAL 184 N -2.89 3.95 -0.43 2.53 1.01 -1.26 -5.00 120.40 118.31 1sjb s VAL 184 Ca 0.17 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 1sjb s VAL 184 Cb 0.19 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1sjb s VAL 184 CO 0.54 0.08 1.13 -0.76 0.00 0.00 0.00 175.10 176.09 1sjb s LEU 185 N -2.31 3.72 -0.01 3.92 1.02 -1.26 -4.98 118.68 118.79 1sjb s LEU 185 Ca 0.53 0.65 0.03 0.00 0.02 0.00 0.00 54.13 55.37 1sjb s LEU 185 Cb -0.21 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.45 1sjb s LEU 185 CO 0.26 -1.15 -0.11 -0.22 0.02 0.00 0.00 176.35 175.16 1sjb s LEU 186 N 4.24 2.00 0.19 1.79 2.96 -1.25 0.15 118.68 128.76 1sjb s LEU 186 Ca 0.48 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.04 1sjb s LEU 186 Cb -0.09 -0.55 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1sjb s LEU 186 CO 0.27 0.13 0.45 0.00 -1.32 0.00 0.00 176.35 175.88 1sjb s GLN 187 N -0.21 1.33 0.18 1.98 -2.07 -0.42 -0.29 119.66 120.15 1sjb s GLN 187 Ca 0.03 -0.97 0.05 0.00 -1.82 0.00 0.00 55.36 52.65 1sjb s GLN 187 Cb -0.04 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 1sjb s GLN 187 CO -0.00 -0.54 -0.07 0.14 -1.32 0.00 0.00 175.29 173.49 1sjb s VAL 188 N -3.91 1.20 -0.12 3.63 -7.23 -1.06 0.25 120.40 113.17 1sjb s VAL 188 Ca 0.12 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1sjb s VAL 188 Cb 0.00 -2.05 0.05 0.00 0.56 0.00 0.00 36.38 34.95 1sjb s VAL 188 CO -0.01 -0.58 0.13 -0.62 -0.31 0.00 0.00 175.10 173.71 1sjb s ASP 189 N -3.24 1.36 0.18 4.85 2.15 0.62 -1.71 116.67 120.88 1sjb s ASP 189 Ca 0.22 -0.06 0.13 0.00 0.43 0.00 0.00 52.55 53.27 1sjb s ASP 189 Cb 0.03 0.07 -0.06 0.00 -0.30 0.00 0.00 42.92 42.66 1sjb s ASP 189 CO 0.04 -0.29 1.22 0.00 -0.17 0.00 0.00 175.17 175.98 1sjb h ALA 190 N 8.39 0.60 -6.10 3.66 0.00 -1.56 -0.06 119.26 124.19 1sjb h ALA 190 Ca -0.14 -0.71 -0.43 0.00 0.00 0.00 0.00 54.91 53.63 1sjb h ALA 190 Cb 1.13 0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.98 1sjb h ALA 190 CO 0.21 0.89 -0.77 0.09 0.00 0.00 0.00 179.25 179.67 1sjb n ASN 191 N -3.17 -3.50 -0.83 0.00 5.03 -1.22 -2.46 115.26 109.12 1sjb n ASN 191 Ca -0.02 -0.74 -0.10 0.00 0.87 0.00 0.00 54.58 54.59 1sjb n ASN 191 Cb 0.82 -4.23 -0.03 0.00 -1.02 0.00 0.00 39.78 35.32 1sjb n ASN 191 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1sjb n THR 192 N -4.54 -0.11 0.25 3.41 -2.24 -0.30 -4.80 114.28 105.93 1sjb n THR 192 Ca -0.12 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1sjb n THR 192 Cb 0.60 -1.30 0.40 0.00 -2.10 0.00 0.00 70.33 67.93 1sjb n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjb h ALA 193 N 0.11 1.00 -1.03 6.98 0.00 -1.32 -3.39 119.26 121.62 1sjb h ALA 193 Ca -0.20 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.21 1sjb h ALA 193 Cb 0.76 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1sjb h ALA 193 CO 0.28 0.00 -0.23 0.71 0.00 0.00 0.00 179.25 180.02 1sjb s TYR 194 N -3.42 2.01 0.27 0.00 1.51 0.37 -4.78 117.35 113.31 1sjb s TYR 194 Ca 0.04 -0.63 0.06 0.00 -1.01 0.00 0.00 57.07 55.53 1sjb s TYR 194 Cb 0.07 -2.18 -0.06 0.00 -0.11 0.00 0.00 41.96 39.68 1sjb s TYR 194 CO 0.61 -0.66 -0.04 0.95 -1.11 0.00 0.00 175.55 175.30 1sjb s THR 195 N -2.58 1.50 0.49 -0.71 -4.23 -1.26 -4.24 115.64 104.61 1sjb s THR 195 Ca 0.52 -2.10 0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1sjb s THR 195 Cb -0.05 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.62 1sjb s THR 195 CO 0.32 -0.29 2.11 0.25 -0.54 0.00 0.00 174.62 176.47 1sjb h LEU 196 N 2.31 0.12 -2.38 4.79 5.85 -1.96 0.50 115.31 124.53 1sjb h LEU 196 Ca -0.40 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1sjb h LEU 196 Cb 1.23 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1sjb h LEU 196 CO 0.67 0.08 -0.03 1.23 -0.34 0.00 0.00 178.44 180.05 1sjb h GLY 197 N 0.14 0.00 1.59 3.75 0.00 -2.01 -1.64 103.07 104.90 1sjb h GLY 197 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1sjb h GLY 197 CO -0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.75 1sjb n ASP 198 N -3.59 0.00 -0.35 0.19 8.00 0.17 -4.44 116.55 116.54 1sjb n ASP 198 Ca -0.02 -0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 1sjb n ASP 198 Cb 0.13 -0.30 0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1sjb n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjb h ALA 199 N 3.40 0.04 -0.95 2.24 0.00 -1.38 0.12 119.26 122.74 1sjb h ALA 199 Ca 0.00 0.24 0.23 0.00 0.00 0.00 0.00 54.91 55.38 1sjb h ALA 199 Cb 0.29 1.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1sjb h ALA 199 CO 0.00 -0.67 0.64 -1.35 0.00 0.00 0.00 179.25 177.86 1sjb h PRO 200 N -0.04 0.31 -0.05 0.00 0.11 -1.85 1.20 132.00 131.68 1sjb h PRO 200 Ca 0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 1sjb h PRO 200 Cb 0.57 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1sjb h PRO 200 CO -0.92 0.21 -0.10 0.37 -0.21 0.00 0.00 178.00 177.35 1sjb h GLN 201 N 0.32 0.16 -0.48 1.05 5.75 -1.14 -3.01 115.11 117.76 1sjb h GLN 201 Ca 0.50 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.84 1sjb h GLN 201 Cb 1.39 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 1sjb h GLN 201 CO -0.17 0.67 0.05 -0.07 -2.65 0.00 0.00 178.83 176.66 1sjb h LEU 202 N -0.34 0.72 -1.82 -2.39 3.38 0.16 -0.23 115.31 114.78 1sjb h LEU 202 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1sjb h LEU 202 Cb 0.66 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1sjb h LEU 202 CO 0.02 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.30 1sjb h ALA 203 N 1.34 1.00 0.00 1.53 0.00 0.14 -0.91 119.26 122.35 1sjb h ALA 203 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sjb h ALA 203 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sjb h ALA 203 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1sjb h ARG 204 N 0.00 0.00 -0.00 0.00 3.08 -0.89 -2.58 114.38 113.98 1sjb h ARG 204 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sjb h ARG 204 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1sjb h ARG 204 CO 0.00 0.00 -0.33 1.28 -1.07 0.00 0.00 179.97 179.85 1sjb n LEU 205 N -2.93 0.71 -0.33 3.04 4.77 -0.35 -4.43 117.00 117.47 1sjb n LEU 205 Ca 0.00 -0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1sjb n LEU 205 Cb 0.24 -0.20 0.24 0.00 -2.33 0.00 0.00 43.42 41.38 1sjb n LEU 205 CO 0.24 0.14 0.72 0.47 -1.33 0.00 0.00 177.39 177.64 1sjb n ASP 206 N -1.06 -0.17 0.08 -1.43 9.92 -0.97 -1.18 116.55 121.73 1sjb n ASP 206 Ca 0.09 1.62 0.11 0.00 -0.53 0.00 0.00 54.79 56.08 1sjb n ASP 206 Cb 0.33 -0.56 0.43 0.00 -0.64 0.00 0.00 41.12 40.68 1sjb n ASP 206 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1sjb n PRO 207 N -5.45 0.13 0.00 -0.24 -0.04 -1.26 -3.67 135.00 124.47 1sjb n PRO 207 Ca 0.21 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1sjb n PRO 207 Cb 0.67 -1.73 0.60 0.00 -0.04 0.00 0.00 33.50 33.00 1sjb n PRO 207 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sjb n PHE 208 N -1.97 0.00 -2.82 0.54 3.01 -0.33 -4.94 117.46 110.95 1sjb n PHE 208 Ca 0.03 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.31 1sjb n PHE 208 Cb 0.23 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1sjb n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjb n GLY 209 N 1.23 -0.29 3.75 1.37 0.00 -1.24 -4.95 105.19 105.06 1sjb n GLY 209 Ca 0.16 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1sjb n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjb s LEU 210 N -5.40 4.39 0.34 0.99 1.43 -1.26 -4.83 118.68 114.34 1sjb s LEU 210 Ca 0.22 2.71 0.01 0.00 -1.03 0.00 0.00 54.13 56.05 1sjb s LEU 210 Cb -0.10 -3.63 0.60 0.00 0.03 0.00 0.00 46.19 43.09 1sjb s LEU 210 CO 0.28 -0.69 2.00 -0.07 0.23 0.00 0.00 176.35 178.10 1sjb h LEU 211 N 4.49 0.76 -7.12 1.79 3.38 -1.02 -3.40 115.31 114.18 1sjb h LEU 211 Ca -0.47 -0.02 0.31 0.00 0.09 0.00 0.00 57.88 57.79 1sjb h LEU 211 Cb 1.22 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 1sjb h LEU 211 CO 0.74 0.56 0.85 -1.48 0.09 0.00 0.00 178.44 179.20 1sjb s LEU 212 N -9.74 -0.07 -0.18 1.67 0.05 -1.26 -4.41 118.68 104.74 1sjb s LEU 212 Ca -0.10 -0.07 0.01 0.00 0.05 0.00 0.00 54.13 54.02 1sjb s LEU 212 Cb 0.18 1.32 0.02 0.00 -2.05 0.00 0.00 46.19 45.66 1sjb s LEU 212 CO 0.77 -0.23 -0.19 -0.51 -0.55 0.00 0.00 176.35 175.64 1sjb s ILE 213 N -2.36 1.98 -0.32 1.48 1.10 0.42 -2.56 121.20 120.95 1sjb s ILE 213 Ca 0.13 -0.92 -0.15 0.00 -0.51 0.00 0.00 60.65 59.19 1sjb s ILE 213 Cb 0.03 -1.82 -0.02 0.00 0.15 0.00 0.00 42.46 40.80 1sjb s ILE 213 CO -0.04 0.50 0.38 -0.70 -2.11 0.00 0.00 174.94 172.97 1sjb s GLU 214 N 1.31 3.70 -1.12 3.50 2.12 -0.69 0.48 118.70 128.00 1sjb s GLU 214 Ca 0.04 -0.26 -0.21 0.00 0.36 0.00 0.00 54.97 54.90 1sjb s GLU 214 Cb -0.13 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 1sjb s GLU 214 CO -0.12 -0.47 0.79 0.94 -0.54 0.00 0.00 175.26 175.85 1sjb n GLN 215 N 5.41 -1.18 -0.28 4.30 -0.06 0.15 -1.82 117.38 123.92 1sjb n GLN 215 Ca -0.08 0.47 -0.03 0.00 -2.00 0.00 0.00 57.00 55.36 1sjb n GLN 215 Cb 0.50 -4.04 0.13 0.00 -4.06 0.00 0.00 30.24 22.77 1sjb n GLN 215 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1sjb h PRO 216 N -1.83 1.14 0.00 3.69 0.13 -1.83 -0.79 132.00 132.51 1sjb h PRO 216 Ca -0.65 -0.15 -0.38 0.00 -0.87 0.00 0.00 66.00 63.95 1sjb h PRO 216 Cb 1.36 -0.22 0.02 0.00 0.13 0.00 0.00 31.00 32.29 1sjb h PRO 216 CO 0.47 0.86 -0.05 1.28 -0.23 0.00 0.00 178.00 180.33 1sjb n LEU 217 N -4.33 0.00 -4.80 1.56 4.77 -1.26 -0.48 117.00 112.46 1sjb n LEU 217 Ca 0.08 -1.95 -0.31 0.00 -0.03 0.00 0.00 56.01 53.79 1sjb n LEU 217 Cb 0.12 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1sjb n LEU 217 CO 0.39 -0.66 0.71 -1.83 -1.33 0.00 0.00 177.39 174.66 1sjb s GLU 218 N -4.05 2.79 0.28 3.23 -1.05 -1.26 -3.86 118.70 114.79 1sjb s GLU 218 Ca 0.47 1.04 0.02 0.00 -0.15 0.00 0.00 54.97 56.35 1sjb s GLU 218 Cb -0.04 -1.97 0.59 0.00 -0.44 0.00 0.00 34.13 32.27 1sjb s GLU 218 CO 0.30 -1.22 1.81 1.49 0.95 0.00 0.00 175.26 178.59 1sjb h GLU 219 N -0.70 0.83 0.00 -4.83 4.81 -1.93 -1.39 114.58 111.37 1sjb h GLU 219 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1sjb h GLU 219 Cb 1.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1sjb h GLU 219 CO 0.55 0.55 -0.09 0.39 -0.73 0.00 0.00 179.01 179.69 1sjb n GLU 220 N -4.71 0.18 -2.72 1.92 4.71 -1.26 -4.30 120.64 114.46 1sjb n GLU 220 Ca 0.19 0.13 -0.43 0.00 -0.01 0.00 0.00 57.16 57.04 1sjb n GLU 220 Cb 0.42 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1sjb n GLU 220 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1sjb n ASP 221 N -1.99 5.11 -0.03 1.62 2.03 -0.53 -4.70 116.55 118.07 1sjb n ASP 221 Ca 0.06 -3.00 -0.14 0.00 0.52 0.00 0.00 54.79 52.23 1sjb n ASP 221 Cb 0.40 -1.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.13 1sjb n ASP 221 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1sjb h VAL 222 N 4.50 1.48 -0.74 5.18 2.07 -1.82 -2.82 116.25 124.09 1sjb h VAL 222 Ca 0.36 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.22 1sjb h VAL 222 Cb 0.80 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 1sjb h VAL 222 CO 1.38 0.46 0.49 -0.07 0.02 0.00 0.00 177.57 179.85 1sjb h LEU 223 N -0.39 0.86 -1.44 2.57 3.38 -1.95 -0.68 115.31 117.65 1sjb h LEU 223 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1sjb h LEU 223 Cb 0.85 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1sjb h LEU 223 CO 0.04 0.63 -0.16 1.23 0.09 0.00 0.00 178.44 180.27 1sjb h GLY 224 N 1.01 0.19 1.28 0.83 0.00 -1.93 0.23 103.07 104.69 1sjb h GLY 224 Ca 0.27 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 1sjb h GLY 224 CO -0.06 0.11 -0.35 0.45 0.00 0.00 0.00 176.54 176.69 1sjb h HIS 225 N 0.17 0.94 -0.51 5.60 3.86 -0.89 0.59 115.15 124.90 1sjb h HIS 225 Ca 0.03 -0.26 -0.06 0.00 -1.16 0.00 0.00 60.37 58.92 1sjb h HIS 225 Cb 0.38 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1sjb h HIS 225 CO 0.00 1.03 0.08 0.00 0.86 0.00 0.00 177.93 179.91 1sjb h ALA 226 N 0.94 0.68 -0.10 2.45 0.00 -0.14 -1.92 119.26 121.17 1sjb h ALA 226 Ca 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sjb h ALA 226 Cb 0.90 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sjb h ALA 226 CO 0.08 0.43 0.06 0.93 0.00 0.00 0.00 179.25 180.74 1sjb h GLU 227 N 0.74 0.14 -0.98 0.00 4.39 -0.31 -2.90 114.58 115.66 1sjb h GLU 227 Ca 0.16 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.95 1sjb h GLU 227 Cb 0.41 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.95 1sjb h GLU 227 CO 0.01 0.18 0.61 1.25 -1.16 0.00 0.00 179.01 179.90 1sjb h LEU 228 N 0.07 0.90 -1.39 1.33 5.85 0.39 -1.45 115.31 121.01 1sjb h LEU 228 Ca 0.04 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1sjb h LEU 228 Cb 0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1sjb h LEU 228 CO -0.01 0.49 -0.26 0.00 -0.34 0.00 0.00 178.44 178.33 1sjb h ALA 229 N 1.52 1.50 0.00 1.25 0.00 -1.25 0.34 119.26 122.62 1sjb h ALA 229 Ca 0.48 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1sjb h ALA 229 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1sjb h ALA 229 CO -0.25 0.37 -0.24 0.00 0.00 0.00 0.00 179.25 179.12 1sjb h ARG 230 N 0.06 0.00 0.00 0.00 3.08 -1.06 -3.16 114.38 113.30 1sjb h ARG 230 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1sjb h ARG 230 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1sjb h ARG 230 CO 0.04 0.24 -0.92 0.00 -1.07 0.00 0.00 179.97 178.26 1sjb h ARG 231 N 0.00 0.00 -5.55 0.04 3.08 -0.80 -3.48 114.38 107.67 1sjb h ARG 231 Ca -0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 1sjb h ARG 231 Cb 0.65 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.56 1sjb h ARG 231 CO 0.03 0.00 -0.74 0.96 -1.07 0.00 0.00 179.97 179.16 1sjb s ILE 232 N -3.31 1.71 -0.01 2.04 -4.36 -0.59 -4.79 121.20 111.88 1sjb s ILE 232 Ca 0.01 -2.18 0.05 0.00 -0.26 0.00 0.00 60.65 58.27 1sjb s ILE 232 Cb 0.11 -2.02 -0.24 0.00 1.25 0.00 0.00 42.46 41.56 1sjb s ILE 232 CO 0.78 -0.59 0.80 1.56 0.24 0.00 0.00 174.94 177.72 1sjb h GLN 233 N 2.61 0.10 -6.86 0.37 4.20 -1.90 -3.45 115.11 110.17 1sjb h GLN 233 Ca -0.38 -0.17 -0.53 0.00 0.06 0.00 0.00 58.65 57.64 1sjb h GLN 233 Cb 1.22 0.06 0.07 0.00 0.30 0.00 0.00 27.48 29.13 1sjb h GLN 233 CO 0.61 0.83 0.70 0.99 -0.67 0.00 0.00 178.83 181.29 1sjb s THR 234 N -2.62 2.56 0.34 -0.54 2.01 -1.26 -4.93 115.64 111.20 1sjb s THR 234 Ca -0.07 0.54 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 1sjb s THR 234 Cb 0.08 -3.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1sjb s THR 234 CO 0.83 0.12 1.10 -2.84 -0.69 0.00 0.00 174.62 173.14 1sjb s PRO 235 N -1.51 4.40 0.01 4.92 0.02 -1.26 -4.75 135.00 136.82 1sjb s PRO 235 Ca 0.52 1.74 -0.23 0.00 0.02 0.00 0.00 61.00 63.05 1sjb s PRO 235 Cb -0.42 -2.92 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 1sjb s PRO 235 CO 0.53 0.01 0.70 0.42 -0.33 0.00 0.00 177.00 178.33 1sjb s ILE 236 N -1.34 4.84 -0.05 2.83 -1.09 -1.26 0.16 121.20 125.29 1sjb s ILE 236 Ca 0.50 1.48 0.03 0.00 -2.23 0.00 0.00 60.65 60.43 1sjb s ILE 236 Cb -0.29 -4.05 0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1sjb s ILE 236 CO 0.37 0.36 -0.13 0.00 -1.23 0.00 0.00 174.94 174.31 1sjb s LEU 238 N 0.39 3.08 0.00 0.00 1.43 -1.09 0.33 118.68 122.83 1sjb s LEU 238 Ca -0.09 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1sjb s LEU 238 Cb -0.13 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1sjb s LEU 238 CO 0.02 0.28 0.00 -0.67 0.23 0.00 0.00 176.35 176.22 1sjb n ASP 239 N 1.58 0.00 -0.32 2.29 -0.08 -1.26 -1.71 116.55 117.06 1sjb n ASP 239 Ca -0.16 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.29 1sjb n ASP 239 Cb 0.52 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.32 1sjb n ASP 239 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1sjb h GLU 240 N 0.00 0.09 -0.04 -0.67 3.07 -1.95 0.16 114.58 115.24 1sjb h GLU 240 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1sjb h GLU 240 Cb 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1sjb h GLU 240 CO 0.00 0.06 -0.15 0.77 -1.40 0.00 0.00 179.01 178.29 1sjb h SER 241 N 0.09 0.06 -0.86 1.42 0.02 -1.90 -3.38 113.55 109.01 1sjb h SER 241 Ca 0.62 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.91 1sjb h SER 241 Cb 1.34 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.79 1sjb h SER 241 CO -0.78 0.21 2.06 -0.63 -1.14 0.00 0.00 176.83 176.55 1sjb s ILE 242 N -4.71 4.06 -1.32 3.27 -1.09 0.56 -4.74 121.20 117.24 1sjb s ILE 242 Ca -0.04 -1.74 0.26 0.00 -2.23 0.00 0.00 60.65 56.89 1sjb s ILE 242 Cb 0.16 -5.14 0.12 0.00 -1.58 0.00 0.00 42.46 36.02 1sjb s ILE 242 CO 0.70 -1.95 1.49 1.33 -1.23 0.00 0.00 174.94 175.28 1sjb n VAL 243 N 6.54 0.00 -3.77 2.92 0.24 -1.26 -4.52 118.33 118.48 1sjb n VAL 243 Ca 0.47 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.34 62.68 1sjb n VAL 243 Cb 0.47 0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 33.12 1sjb n VAL 243 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1sjb s SER 244 N -2.79 -0.15 0.31 -1.34 1.04 -1.26 -4.33 113.70 105.18 1sjb s SER 244 Ca 0.17 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.19 1sjb s SER 244 Cb 0.18 0.50 0.51 0.00 0.10 0.00 0.00 66.02 67.31 1sjb s SER 244 CO 0.62 -0.93 1.76 0.00 0.98 0.00 0.00 173.24 175.66 1sjb h ALA 245 N 2.00 1.19 -0.35 5.32 0.00 -1.92 0.02 119.26 125.53 1sjb h ALA 245 Ca -0.25 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1sjb h ALA 245 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1sjb h ALA 245 CO 0.27 0.53 -0.09 -0.09 0.00 0.00 0.00 179.25 179.87 1sjb h ARG 246 N 0.29 0.68 -0.60 0.00 2.43 -1.97 0.53 114.38 115.74 1sjb h ARG 246 Ca 0.04 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1sjb h ARG 246 Cb 0.66 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1sjb h ARG 246 CO 0.05 0.84 0.33 0.00 -1.51 0.00 0.00 179.97 179.68 1sjb h ALA 247 N 0.82 0.78 -0.47 2.80 0.00 -1.81 0.06 119.26 121.44 1sjb h ALA 247 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sjb h ALA 247 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1sjb h ALA 247 CO 0.04 0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.61 1sjb h ALA 248 N 1.30 0.59 -0.57 0.00 0.00 -0.72 0.40 119.26 120.26 1sjb h ALA 248 Ca 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1sjb h ALA 248 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1sjb h ALA 248 CO -0.15 0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.24 1sjb h ALA 249 N 1.16 1.08 0.13 0.00 0.00 -0.26 -1.89 119.26 119.47 1sjb h ALA 249 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sjb h ALA 249 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1sjb h ALA 249 CO -0.04 0.60 -0.06 -0.44 0.00 0.00 0.00 179.25 179.31 1sjb h ASP 250 N 0.86 -0.14 -0.31 0.00 3.32 -0.56 -1.28 116.42 118.31 1sjb h ASP 250 Ca 0.18 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1sjb h ASP 250 Cb 0.39 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1sjb h ASP 250 CO 0.01 -0.03 -0.02 0.00 -1.72 0.00 0.00 179.24 177.48 1sjb h ALA 251 N 0.61 1.19 -0.03 3.45 0.00 -0.78 -1.27 119.26 122.43 1sjb h ALA 251 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sjb h ALA 251 Cb 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sjb h ALA 251 CO 0.03 0.53 0.00 0.82 0.00 0.00 0.00 179.25 180.63 1sjb h ILE 252 N 0.63 1.21 -0.07 0.00 2.04 -1.28 0.73 117.51 120.77 1sjb h ILE 252 Ca 0.13 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1sjb h ILE 252 Cb 0.43 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1sjb h ILE 252 CO 0.02 0.17 0.06 0.11 0.00 0.00 0.00 178.15 178.50 1sjb h LYS 253 N -0.20 0.00 -0.00 2.37 1.57 -0.98 -0.42 116.57 118.90 1sjb h LYS 253 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1sjb h LYS 253 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1sjb h LYS 253 CO 0.00 0.00 -0.10 1.28 -0.57 0.00 0.00 179.45 180.06 1sjb n LEU 254 N -4.19 0.42 -1.16 2.94 4.77 -0.50 -4.91 117.00 114.37 1sjb n LEU 254 Ca -0.01 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1sjb n LEU 254 Cb 0.16 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1sjb n LEU 254 CO 0.31 0.08 -0.14 0.61 -1.33 0.00 0.00 177.39 176.92 1sjb n GLY 255 N 1.28 0.76 0.04 -0.72 0.00 -0.17 -4.77 105.19 101.61 1sjb n GLY 255 Ca 0.14 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1sjb n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjb n ALA 256 N 0.10 3.32 -3.12 4.61 0.00 0.15 -4.43 120.51 121.14 1sjb n ALA 256 Ca -0.14 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1sjb n ALA 256 Cb 0.49 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 1sjb n ALA 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sjb s VAL 257 N -2.90 0.04 0.00 0.00 0.11 -1.23 -4.40 120.40 112.02 1sjb s VAL 257 Ca 0.14 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1sjb s VAL 257 Cb 0.18 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1sjb s VAL 257 CO 0.65 -0.20 0.00 1.67 -3.33 0.00 0.00 175.10 173.88 1sjb n GLN 258 N 2.06 1.54 -3.74 1.54 7.27 -0.81 -4.70 117.38 120.54 1sjb n GLN 258 Ca -0.18 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.75 1sjb n GLN 258 Cb 0.57 -0.95 -0.15 0.00 2.41 0.00 0.00 30.24 32.12 1sjb n GLN 258 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1sjb s ILE 259 N -1.85 -0.07 -0.10 1.69 1.01 -0.95 -4.09 121.20 116.84 1sjb s ILE 259 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 1sjb s ILE 259 Cb 0.00 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 1sjb s ILE 259 CO 0.00 0.08 -0.03 -0.69 0.00 0.00 0.00 174.94 174.30 1sjb s VAL 260 N 1.28 3.99 -0.26 2.92 1.01 -0.64 -2.67 120.40 126.03 1sjb s VAL 260 Ca -0.08 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1sjb s VAL 260 Cb -0.12 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1sjb s VAL 260 CO -0.06 0.57 0.24 0.21 0.00 0.00 0.00 175.10 176.07 1sjb s ASN 261 N -0.53 6.12 -0.24 3.32 3.84 -0.69 -1.45 114.94 125.31 1sjb s ASN 261 Ca 0.08 0.12 -0.10 0.00 0.21 0.00 0.00 52.86 53.17 1sjb s ASN 261 Cb -0.12 -2.15 -0.05 0.00 -0.55 0.00 0.00 41.25 38.38 1sjb s ASN 261 CO 0.02 -0.06 0.16 -0.63 -2.79 0.00 0.00 177.10 173.79 1sjb s ILE 262 N 1.68 5.35 -0.32 -5.21 1.01 0.99 -4.63 121.20 120.07 1sjb s ILE 262 Ca 0.10 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1sjb s ILE 262 Cb -0.15 -3.49 0.10 0.00 0.01 0.00 0.00 42.46 38.92 1sjb s ILE 262 CO 0.09 0.35 0.09 -0.54 0.00 0.00 0.00 174.94 174.93 1sjb s LYS 263 N 1.02 0.92 0.22 2.79 1.02 -1.26 0.11 119.74 124.56 1sjb s LYS 263 Ca 0.07 -1.30 -0.18 0.00 0.02 0.00 0.00 55.97 54.59 1sjb s LYS 263 Cb -0.13 -2.32 0.22 0.00 -0.52 0.00 0.00 37.83 35.07 1sjb s LYS 263 CO 0.04 -0.98 1.57 -1.35 -0.92 0.00 0.00 175.35 173.72 1sjb h PRO 264 N 7.95 -0.06 -0.14 -1.68 0.11 -1.89 -1.09 132.00 135.19 1sjb h PRO 264 Ca -0.11 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.92 1sjb h PRO 264 Cb 1.02 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1sjb h PRO 264 CO 0.49 -0.04 -0.28 0.78 -0.21 0.00 0.00 178.00 178.74 1sjb h GLY 265 N -0.06 0.29 1.74 -0.55 0.00 -1.92 0.33 103.07 102.90 1sjb h GLY 265 Ca 0.31 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1sjb h GLY 265 CO -0.85 0.21 -0.24 -0.09 0.00 0.00 0.00 176.54 175.56 1sjb h ARG 266 N 0.24 0.31 -0.44 4.80 2.43 -1.56 -2.56 114.38 117.60 1sjb h ARG 266 Ca 0.04 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1sjb h ARG 266 Cb 0.62 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1sjb h ARG 266 CO 0.04 0.54 0.00 1.33 -1.51 0.00 0.00 179.97 180.37 1sjb n VAL 267 N -4.16 0.58 -0.41 0.20 0.24 -0.64 -4.72 118.33 109.42 1sjb n VAL 267 Ca -0.01 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1sjb n VAL 267 Cb 0.37 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 1sjb n VAL 267 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sjb n GLY 268 N 1.34 0.75 0.00 7.63 0.00 -0.87 -4.71 105.19 109.33 1sjb n GLY 268 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1sjb n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjb n GLY 269 N -2.21 3.56 0.25 -0.02 0.00 0.11 -2.74 105.19 104.14 1sjb n GLY 269 Ca 0.00 -1.42 0.04 0.00 0.00 0.00 0.00 46.02 44.65 1sjb n GLY 269 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1sjb h TYR 270 N 0.00 0.17 -0.03 1.61 -1.99 -1.83 0.16 116.97 115.06 1sjb h TYR 270 Ca 0.00 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1sjb h TYR 270 Cb 0.00 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 1sjb h TYR 270 CO 0.00 0.25 -0.03 -0.07 -0.00 0.00 0.00 178.16 178.32 1sjb h LEU 271 N 0.17 0.07 -0.37 3.88 3.38 -1.94 -2.16 115.31 118.34 1sjb h LEU 271 Ca 0.04 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1sjb h LEU 271 Cb 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1sjb h LEU 271 CO 0.01 0.54 0.18 -0.08 0.09 0.00 0.00 178.44 179.19 1sjb h GLU 272 N -0.39 0.37 -0.94 1.13 4.57 -1.79 -2.61 114.58 114.91 1sjb h GLU 272 Ca 0.00 -0.02 0.23 0.00 -1.18 0.00 0.00 59.36 58.39 1sjb h GLU 272 Cb 0.52 -0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 28.90 1sjb h GLU 272 CO 0.01 0.24 0.48 0.00 -1.18 0.00 0.00 179.01 178.56 1sjb h ALA 273 N 1.20 1.58 -0.50 2.92 0.00 -0.87 0.20 119.26 123.78 1sjb h ALA 273 Ca 0.16 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1sjb h ALA 273 Cb 0.07 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1sjb h ALA 273 CO -0.11 -0.30 -0.09 -0.09 0.00 0.00 0.00 179.25 178.66 1sjb h ARG 274 N 0.49 0.92 -0.41 0.00 2.43 -1.02 -0.84 114.38 115.95 1sjb h ARG 274 Ca 0.59 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1sjb h ARG 274 Cb 1.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1sjb h ARG 274 CO -0.50 0.96 0.19 0.00 -1.51 0.00 0.00 179.97 179.12 1sjb h ARG 275 N 0.82 0.59 -0.69 0.20 3.08 -0.45 0.27 114.38 118.20 1sjb h ARG 275 Ca 0.14 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.17 1sjb h ARG 275 Cb 0.62 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 1sjb h ARG 275 CO 0.04 0.51 0.37 0.28 -1.07 0.00 0.00 179.97 180.10 1sjb h VAL 276 N 0.51 0.93 -0.53 2.04 2.07 -0.61 0.55 116.25 121.21 1sjb h VAL 276 Ca 0.14 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1sjb h VAL 276 Cb 0.12 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1sjb h VAL 276 CO -0.02 0.12 0.27 -0.74 0.02 0.00 0.00 177.57 177.22 1sjb h HIS 277 N 0.66 0.49 -0.34 1.57 -0.00 -0.32 -0.77 115.15 116.44 1sjb h HIS 277 Ca 0.32 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.58 1sjb h HIS 277 Cb 0.25 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1sjb h HIS 277 CO -0.09 0.24 -0.31 -0.44 -0.00 0.00 0.00 177.93 177.33 1sjb h ASP 278 N 0.52 0.76 -0.51 3.26 3.32 0.12 -1.69 116.42 122.20 1sjb h ASP 278 Ca 0.23 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1sjb h ASP 278 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1sjb h ASP 278 CO -0.16 1.02 0.12 0.58 -1.72 0.00 0.00 179.24 179.07 1sjb h VAL 279 N 0.62 1.24 0.01 -1.35 2.07 0.46 -2.25 116.25 117.06 1sjb h VAL 279 Ca 0.07 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1sjb h VAL 279 Cb 0.84 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1sjb h VAL 279 CO 0.07 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.97 1sjb h ALA 281 N 0.88 0.97 0.00 0.00 0.00 -1.25 0.27 119.26 120.13 1sjb h ALA 281 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sjb h ALA 281 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sjb h ALA 281 CO 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1sjb h ALA 282 N 1.46 1.00 -0.12 0.00 0.00 -1.11 -2.10 119.26 118.38 1sjb h ALA 282 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1sjb h ALA 282 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sjb h ALA 282 CO -0.31 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.66 1sjb n HIS 283 N -3.03 0.13 -1.36 0.00 8.25 0.70 -4.97 115.22 114.94 1sjb n HIS 283 Ca -0.01 -0.08 -0.04 0.00 -0.26 0.00 0.00 57.72 57.32 1sjb n HIS 283 Cb 0.18 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 1sjb n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sjb n GLY 284 N 1.07 0.57 3.52 -1.41 0.00 0.18 -5.00 105.19 104.13 1sjb n GLY 284 Ca 0.12 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1sjb n GLY 284 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjb s ILE 285 N -2.16 5.26 0.52 -0.61 -1.09 0.25 -4.98 121.20 118.38 1sjb s ILE 285 Ca 0.00 -0.25 -0.21 0.00 -2.23 0.00 0.00 60.65 57.96 1sjb s ILE 285 Cb 0.00 -3.76 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 1sjb s ILE 285 CO 0.00 -0.07 1.17 -2.84 -1.23 0.00 0.00 174.94 171.97 1sjb s PRO 286 N 1.76 3.45 0.23 2.79 0.02 -1.26 -3.90 135.00 138.09 1sjb s PRO 286 Ca 0.07 1.74 0.04 0.00 0.02 0.00 0.00 61.00 62.87 1sjb s PRO 286 Cb -0.18 -2.16 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1sjb s PRO 286 CO 0.11 -0.80 -0.02 0.14 -0.33 0.00 0.00 177.00 176.10 1sjb s VAL 287 N -1.63 1.15 -0.01 3.83 -7.23 -1.07 -1.62 120.40 113.81 1sjb s VAL 287 Ca 0.70 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.62 1sjb s VAL 287 Cb -0.27 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.39 1sjb s VAL 287 CO 0.32 -0.36 0.43 -1.66 -0.31 0.00 0.00 175.10 173.52 1sjb s TRP 288 N -3.34 -0.33 -0.26 2.82 1.48 -0.53 -2.79 118.94 115.99 1sjb s TRP 288 Ca 0.27 0.49 -0.27 0.00 -1.06 0.00 0.00 56.10 55.54 1sjb s TRP 288 Cb 0.05 0.21 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 1sjb s TRP 288 CO 0.08 -0.49 0.93 0.00 -4.06 0.00 0.00 176.95 173.41 1sjb s GLY 290 N 1.38 1.65 0.18 0.00 0.00 0.29 -0.45 107.32 110.36 1sjb s GLY 290 Ca 0.39 -0.15 0.07 0.00 0.00 0.00 0.00 44.72 45.03 1sjb s GLY 290 CO 0.09 0.16 -0.14 -0.32 0.00 0.00 0.00 173.10 172.89 1sjb s GLY 291 N -4.17 1.31 -0.26 0.20 0.00 -1.26 -4.74 107.32 98.41 1sjb s GLY 291 Ca 0.57 -1.56 0.21 0.00 0.00 0.00 0.00 44.72 43.94 1sjb s GLY 291 CO 0.53 -1.65 1.12 1.03 0.00 0.00 0.00 173.10 174.13 1sjb n MET 292 N -0.16 1.92 -3.94 2.90 2.81 -1.26 -4.96 117.12 114.43 1sjb n MET 292 Ca -0.10 -3.57 -0.29 0.00 -1.81 0.00 0.00 57.70 51.93 1sjb n MET 292 Cb 0.60 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 1sjb n MET 292 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1sjb n ILE 293 N -0.60 -2.48 -1.58 2.02 5.41 -1.26 -4.94 119.36 115.93 1sjb n ILE 293 Ca 0.11 -0.18 -0.30 0.00 1.00 0.00 0.00 62.75 63.38 1sjb n ILE 293 Cb 0.82 -2.78 0.09 0.00 -0.71 0.00 0.00 39.64 37.06 1sjb n ILE 293 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1sjb s GLU 294 N -6.54 2.03 0.92 0.38 8.01 -1.26 -5.06 118.70 117.17 1sjb s GLU 294 Ca 0.45 0.58 -0.12 0.00 0.01 0.00 0.00 54.97 55.89 1sjb s GLU 294 Cb -0.23 -1.92 0.20 0.00 -4.31 0.00 0.00 34.13 27.87 1sjb s GLU 294 CO 0.85 -1.65 1.26 0.95 0.01 0.00 0.00 175.26 176.68 1sjb s THR 295 N -3.19 2.01 0.51 3.63 -4.23 -1.26 -4.66 115.64 108.44 1sjb s THR 295 Ca 0.61 -0.18 0.32 0.00 -1.18 0.00 0.00 61.69 61.26 1sjb s THR 295 Cb -0.14 -2.83 0.51 0.00 1.34 0.00 0.00 72.50 71.37 1sjb s THR 295 CO 0.54 0.00 1.81 1.23 -0.54 0.00 0.00 174.62 177.66 1sjb h GLY 296 N -1.42 0.29 0.19 3.99 0.00 -1.93 0.19 103.07 104.38 1sjb h GLY 296 Ca -0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1sjb h GLY 296 CO 0.34 -0.03 -0.12 1.41 0.00 0.00 0.00 176.54 178.13 1sjb h LEU 297 N 0.09 -0.32 -1.03 3.11 3.38 -1.94 0.48 115.31 119.09 1sjb h LEU 297 Ca 0.55 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.51 1sjb h LEU 297 Cb 2.00 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.81 1sjb h LEU 297 CO -0.08 -0.19 0.32 1.23 0.09 0.00 0.00 178.44 179.82 1sjb h GLY 298 N -0.30 1.09 0.38 0.83 0.00 -1.75 -2.10 103.07 101.23 1sjb h GLY 298 Ca -0.03 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 46.85 1sjb h GLY 298 CO 0.02 0.51 0.07 -0.09 0.00 0.00 0.00 176.54 177.06 1sjb h ARG 299 N 1.00 0.20 -0.64 4.80 2.43 -0.50 0.47 114.38 122.14 1sjb h ARG 299 Ca 0.24 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1sjb h ARG 299 Cb 0.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1sjb h ARG 299 CO -0.03 0.13 0.20 0.00 -1.51 0.00 0.00 179.97 178.76 1sjb h ALA 300 N 1.36 0.84 -0.65 2.80 0.00 0.42 -0.03 119.26 124.00 1sjb h ALA 300 Ca 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1sjb h ALA 300 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1sjb h ALA 300 CO -0.31 0.51 0.29 0.00 0.00 0.00 0.00 179.25 179.74 1sjb h ALA 301 N 1.07 1.29 -0.65 0.00 0.00 -0.78 -2.45 119.26 117.75 1sjb h ALA 301 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1sjb h ALA 301 Cb 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1sjb h ALA 301 CO -0.01 0.54 0.09 -0.91 0.00 0.00 0.00 179.25 178.97 1sjb h ASN 302 N 0.92 1.03 -0.85 0.00 2.35 -0.25 -0.94 115.58 117.84 1sjb h ASN 302 Ca 0.22 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1sjb h ASN 302 Cb 0.13 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1sjb h ASN 302 CO -0.03 1.03 0.50 0.58 -1.65 0.00 0.00 177.43 177.87 1sjb h VAL 303 N 1.01 1.24 -0.06 2.81 2.07 -0.57 0.71 116.25 123.46 1sjb h VAL 303 Ca 0.20 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1sjb h VAL 303 Cb 0.45 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1sjb h VAL 303 CO 0.01 0.26 -0.05 0.00 0.02 0.00 0.00 177.57 177.81 1sjb h ALA 304 N 1.37 0.09 -0.21 1.67 0.00 -1.23 -2.90 119.26 118.05 1sjb h ALA 304 Ca 0.31 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1sjb h ALA 304 Cb -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1sjb h ALA 304 CO -0.05 -0.13 -0.22 1.25 0.00 0.00 0.00 179.25 180.10 1sjb h LEU 305 N -0.29 -0.70 0.00 0.00 5.85 -0.60 -0.27 115.31 119.30 1sjb h LEU 305 Ca 0.01 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1sjb h LEU 305 Cb 0.54 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1sjb h LEU 305 CO 0.01 -0.26 0.00 0.00 -0.34 0.00 0.00 178.44 177.85 1sjb n ALA 306 N -2.75 1.28 1.18 1.25 0.00 0.24 -1.84 120.51 119.88 1sjb n ALA 306 Ca -0.01 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1sjb n ALA 306 Cb 0.28 -1.03 0.37 0.00 0.00 0.00 0.00 19.45 19.07 1sjb n ALA 306 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sjb n SER 307 N -1.30 1.98 -4.77 0.00 3.41 -0.11 -4.76 113.62 108.07 1sjb n SER 307 Ca 0.01 -1.71 -0.37 0.00 -0.26 0.00 0.00 58.87 56.54 1sjb n SER 307 Cb 0.02 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 1sjb n SER 307 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sjb s LEU 308 N -1.75 4.03 0.23 1.04 1.02 -0.77 -1.72 118.68 120.77 1sjb s LEU 308 Ca 0.34 2.25 -0.13 0.00 0.02 0.00 0.00 54.13 56.61 1sjb s LEU 308 Cb 0.20 -4.24 0.29 0.00 0.02 0.00 0.00 46.19 42.45 1sjb s LEU 308 CO 0.30 -0.84 1.59 1.55 0.02 0.00 0.00 176.35 178.97 1sjb h PRO 309 N 2.12 -0.03 0.00 1.29 0.13 -1.90 -2.35 132.00 131.26 1sjb h PRO 309 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sjb h PRO 309 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1sjb h PRO 309 CO 0.61 -0.02 0.00 -1.71 -0.23 0.00 0.00 178.00 176.65 1sjb n ASN 310 N -5.50 0.00 -3.69 1.44 5.15 -1.26 -4.32 115.26 107.08 1sjb n ASN 310 Ca 0.10 -0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 53.46 1sjb n ASN 310 Cb 0.39 -0.20 -0.00 0.00 -0.53 0.00 0.00 39.78 39.44 1sjb n ASN 310 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sjb n PHE 311 N -1.20 3.42 0.65 1.20 3.01 -0.88 -2.60 117.46 121.06 1sjb n PHE 311 Ca 0.11 -2.99 0.03 0.00 1.01 0.00 0.00 57.45 55.62 1sjb n PHE 311 Cb 0.13 -2.55 0.14 0.00 -0.01 0.00 0.00 39.48 37.19 1sjb n PHE 311 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1sjb n THR 312 N 4.93 0.75 -4.33 4.37 -2.24 -1.12 -4.78 114.28 111.87 1sjb n THR 312 Ca 0.55 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 1sjb n THR 312 Cb 0.37 -0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 1sjb n THR 312 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sjb s LEU 313 N -1.02 1.90 0.27 3.22 1.43 -1.21 -5.01 118.68 118.25 1sjb s LEU 313 Ca 0.20 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 1sjb s LEU 313 Cb 0.13 -0.46 -0.14 0.00 0.03 0.00 0.00 46.19 45.76 1sjb s LEU 313 CO 0.09 0.08 1.19 -2.65 0.23 0.00 0.00 176.35 175.29 1sjb n PRO 314 N 3.08 1.65 -3.95 1.29 -0.02 -1.26 -4.47 135.00 131.31 1sjb n PRO 314 Ca -0.16 0.58 -0.27 0.00 -2.02 0.00 0.00 63.50 61.64 1sjb n PRO 314 Cb 0.56 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 1sjb n PRO 314 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sjb s GLY 315 N -0.22 2.43 -1.44 -1.23 0.00 -1.22 -4.69 107.32 100.94 1sjb s GLY 315 Ca 0.62 -1.13 -0.13 0.00 0.00 0.00 0.00 44.72 44.09 1sjb s GLY 315 CO 0.57 -1.97 2.24 1.22 0.00 0.00 0.00 173.10 175.16 1sjb n ASP 316 N -1.77 4.55 -3.06 1.64 8.00 0.40 -1.65 116.55 124.66 1sjb n ASP 316 Ca -0.03 -2.87 -0.25 0.00 0.71 0.00 0.00 54.79 52.35 1sjb n ASP 316 Cb 0.65 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.08 1sjb n ASP 316 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sjb n THR 317 N 4.63 2.25 -1.49 -3.53 -2.24 -1.26 -4.11 114.28 108.53 1sjb n THR 317 Ca 0.53 -5.30 -0.29 0.00 -2.27 0.00 0.00 64.05 56.72 1sjb n THR 317 Cb 0.37 -1.31 0.15 0.00 -2.10 0.00 0.00 70.33 67.45 1sjb n THR 317 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1sjb s SER 318 N -3.07 3.13 0.69 3.42 0.01 -1.26 -4.69 113.70 111.94 1sjb s SER 318 Ca 0.46 0.89 -0.13 0.00 1.31 0.00 0.00 55.95 58.47 1sjb s SER 318 Cb 0.27 -1.39 0.01 0.00 0.21 0.00 0.00 66.02 65.12 1sjb s SER 318 CO -0.11 -2.78 1.10 0.00 0.41 0.00 0.00 173.24 171.86 1sjb s ALA 319 N -3.28 2.44 0.19 1.44 0.00 -1.26 -4.95 121.76 116.35 1sjb s ALA 319 Ca 0.65 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1sjb s ALA 319 Cb -0.14 -3.29 0.20 0.00 0.00 0.00 0.00 23.12 19.90 1sjb s ALA 319 CO 0.54 -1.38 1.68 0.77 0.00 0.00 0.00 175.76 177.36 1sjb h SER 320 N -0.35 -0.23 0.02 0.00 0.02 -0.85 -1.75 113.55 110.41 1sjb h SER 320 Ca -0.46 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1sjb h SER 320 Cb 1.24 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1sjb h SER 320 CO 0.54 -0.08 0.00 -0.90 -1.14 0.00 0.00 176.83 175.24 1sjb n ASP 321 N -5.24 0.00 0.06 3.07 5.68 -1.20 -1.58 116.55 117.34 1sjb n ASP 321 Ca 0.06 0.10 -0.03 0.00 -0.50 0.00 0.00 54.79 54.42 1sjb n ASP 321 Cb 0.28 -0.15 0.19 0.00 -1.14 0.00 0.00 41.12 40.30 1sjb n ASP 321 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1sjb h ARG 322 N 0.00 0.34 0.00 0.11 1.12 -1.68 -3.37 114.38 110.91 1sjb h ARG 322 Ca 0.00 -0.16 -0.20 0.00 -1.11 0.00 0.00 59.98 58.51 1sjb h ARG 322 Cb 0.01 -0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.93 1sjb h ARG 322 CO 0.00 0.69 -1.74 1.19 -3.11 0.00 0.00 179.97 176.99 1sjb n PHE 323 N -4.04 0.00 -4.88 2.20 3.01 -0.76 -4.75 117.46 108.25 1sjb n PHE 323 Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.18 1sjb n PHE 323 Cb 0.48 -0.51 -0.16 0.00 -0.01 0.00 0.00 39.48 39.28 1sjb n PHE 323 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1sjb s TYR 324 N -2.26 1.81 0.04 1.38 1.51 -0.61 -0.81 117.35 118.41 1sjb s TYR 324 Ca -0.15 -0.55 -0.22 0.00 -1.01 0.00 0.00 57.07 55.14 1sjb s TYR 324 Cb 0.04 -1.22 -0.15 0.00 -0.11 0.00 0.00 41.96 40.52 1sjb s TYR 324 CO 0.33 -0.19 1.43 -0.22 -1.11 0.00 0.00 175.55 175.78 1sjb h LYS 325 N 6.31 0.21 -4.55 -0.62 3.64 -1.85 -3.18 116.57 116.53 1sjb h LYS 325 Ca -0.32 -0.08 -0.65 0.00 -1.27 0.00 0.00 60.65 58.34 1sjb h LYS 325 Cb 1.18 -0.01 -0.39 0.00 -0.41 0.00 0.00 32.23 32.59 1sjb h LYS 325 CO 0.48 0.51 -0.74 0.99 -2.27 0.00 0.00 179.45 178.41 1sjb s THR 326 N -4.76 2.04 0.76 1.00 2.01 -1.26 -4.92 115.64 110.52 1sjb s THR 326 Ca -0.14 -2.07 -0.11 0.00 0.31 0.00 0.00 61.69 59.68 1sjb s THR 326 Cb 0.05 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 70.16 1sjb s THR 326 CO 0.71 -0.50 1.08 -0.62 -0.69 0.00 0.00 174.62 174.60 1sjb s ASP 327 N 1.05 4.78 0.00 3.53 -1.08 -1.26 -4.93 116.67 118.75 1sjb s ASP 327 Ca 0.07 1.41 0.28 0.00 -0.52 0.00 0.00 52.55 53.79 1sjb s ASP 327 Cb -0.19 -2.19 1.12 0.00 -1.46 0.00 0.00 42.92 40.21 1sjb s ASP 327 CO -0.10 -1.80 1.79 2.30 0.52 0.00 0.00 175.17 177.88 1sjb n ILE 328 N -3.34 0.00 -4.52 4.11 -5.35 -1.26 -4.87 119.36 104.14 1sjb n ILE 328 Ca 0.07 -0.14 -0.25 0.00 -0.27 0.00 0.00 62.75 62.16 1sjb n ILE 328 Cb 0.55 0.21 -0.07 0.00 -1.74 0.00 0.00 39.64 38.60 1sjb n ILE 328 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1sjb n THR 329 N -0.44 0.00 -1.75 7.28 -2.24 -1.26 0.84 114.28 116.71 1sjb n THR 329 Ca 0.17 -2.25 -0.43 0.00 -2.27 0.00 0.00 64.05 59.27 1sjb n THR 329 Cb 0.31 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 1sjb n THR 329 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sjb s GLU 330 N -3.51 3.61 0.96 -0.78 2.12 -1.26 -4.90 118.70 114.93 1sjb s GLU 330 Ca 0.16 2.13 -0.12 0.00 0.36 0.00 0.00 54.97 57.49 1sjb s GLU 330 Cb 0.01 -4.23 0.07 0.00 0.26 0.00 0.00 34.13 30.24 1sjb s GLU 330 CO 0.11 -1.54 0.54 -0.35 -0.54 0.00 0.00 175.26 173.48 1sjb n PRO 331 N 8.11 -0.42 -3.76 4.30 -0.04 -1.26 -4.97 135.00 136.95 1sjb n PRO 331 Ca 0.24 -0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.26 1sjb n PRO 331 Cb 0.44 -1.95 -0.10 0.00 -0.04 0.00 0.00 33.50 31.84 1sjb n PRO 331 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1sjb s PHE 332 N -2.44 3.25 -0.13 0.54 0.40 -1.26 -4.94 117.98 113.41 1sjb s PHE 332 Ca 0.59 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 1sjb s PHE 332 Cb -0.21 -2.23 0.01 0.00 0.51 0.00 0.00 43.02 41.10 1sjb s PHE 332 CO 0.66 -0.01 -0.22 0.08 0.70 0.00 0.00 175.22 176.42 1sjb s VAL 333 N 1.05 2.12 0.24 -0.44 1.01 -1.26 -0.09 120.40 123.02 1sjb s VAL 333 Ca 0.06 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 1sjb s VAL 333 Cb -0.14 -1.83 -0.11 0.00 0.00 0.00 0.00 36.38 34.30 1sjb s VAL 333 CO 0.04 0.55 1.54 -0.22 0.00 0.00 0.00 175.10 177.01 1sjb s LEU 334 N 0.63 4.37 -0.34 3.92 2.96 -1.26 -4.74 118.68 124.22 1sjb s LEU 334 Ca -0.11 2.75 -0.01 0.00 -0.22 0.00 0.00 54.13 56.54 1sjb s LEU 334 Cb -0.16 -3.62 0.11 0.00 0.50 0.00 0.00 46.19 43.02 1sjb s LEU 334 CO 0.02 -0.81 0.15 -0.55 -1.32 0.00 0.00 176.35 173.84 1sjb s SER 335 N 0.65 3.64 -0.76 3.68 0.15 0.23 -4.80 113.70 116.50 1sjb s SER 335 Ca 0.64 -1.84 -0.04 0.00 0.70 0.00 0.00 55.95 55.41 1sjb s SER 335 Cb -0.45 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1sjb s SER 335 CO 0.41 -0.37 0.48 0.61 1.20 0.00 0.00 173.24 175.56 1sjb n GLY 336 N 4.55 0.12 2.24 9.45 0.00 -1.26 -2.37 105.19 117.92 1sjb n GLY 336 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1sjb n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjb n GLY 337 N -1.22 0.53 3.41 -0.02 0.00 -1.22 -5.00 105.19 101.67 1sjb n GLY 337 Ca -0.03 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1sjb n GLY 337 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sjb s HIS 338 N -1.90 1.87 -0.02 1.61 3.76 -1.00 -0.91 115.29 118.70 1sjb s HIS 338 Ca 0.00 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.18 1sjb s HIS 338 Cb 0.00 -1.09 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 1sjb s HIS 338 CO 0.00 0.19 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.42 1sjb s LEU 339 N -3.42 1.98 0.16 0.89 1.02 0.90 0.78 118.68 120.99 1sjb s LEU 339 Ca 0.30 -0.28 -0.27 0.00 0.02 0.00 0.00 54.13 53.90 1sjb s LEU 339 Cb 0.05 -0.79 -0.08 0.00 0.02 0.00 0.00 46.19 45.39 1sjb s LEU 339 CO 0.11 0.17 0.85 -2.16 0.02 0.00 0.00 176.35 175.34 1sjb s PRO 340 N -0.23 4.66 0.14 1.29 0.04 -1.26 0.55 135.00 140.19 1sjb s PRO 340 Ca 0.03 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1sjb s PRO 340 Cb -0.07 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.10 1sjb s PRO 340 CO 0.00 0.45 1.12 0.08 0.04 0.00 0.00 177.00 178.69 1sjb s VAL 341 N -0.79 3.98 0.26 -0.36 1.01 -0.06 -4.92 120.40 119.50 1sjb s VAL 341 Ca 0.39 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.68 1sjb s VAL 341 Cb -0.24 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1sjb s VAL 341 CO 0.28 0.23 1.32 -2.84 0.00 0.00 0.00 175.10 174.09 1sjb s PRO 342 N 0.07 4.37 -0.14 2.72 0.02 -1.26 -4.92 135.00 135.86 1sjb s PRO 342 Ca 0.52 2.14 0.11 0.00 0.02 0.00 0.00 61.00 63.80 1sjb s PRO 342 Cb -0.29 -3.13 -0.23 0.00 0.02 0.00 0.00 34.50 30.86 1sjb s PRO 342 CO 0.33 -0.23 0.30 0.25 -0.33 0.00 0.00 177.00 177.32 1sjb n THR 343 N 1.82 1.53 -0.70 0.99 -2.24 -1.26 -4.73 114.28 109.69 1sjb n THR 343 Ca 0.04 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 1sjb n THR 343 Cb 0.42 -0.94 0.26 0.00 -2.10 0.00 0.00 70.33 67.97 1sjb n THR 343 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sjb s GLY 344 N -5.47 1.50 0.65 3.38 0.00 -1.26 -4.69 107.32 101.44 1sjb s GLY 344 Ca -0.12 -0.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 1sjb s GLY 344 CO 0.80 0.21 1.17 -4.14 0.00 0.00 0.00 173.10 171.13 1sjb s PRO 345 N -5.02 2.72 4.96 2.90 0.01 -1.26 -3.99 135.00 135.31 1sjb s PRO 345 Ca 0.69 1.65 0.00 0.00 0.01 0.00 0.00 61.00 63.35 1sjb s PRO 345 Cb -0.15 -1.92 0.00 0.00 0.01 0.00 0.00 34.50 32.44 1sjb s PRO 345 CO 0.59 -1.36 0.00 0.41 0.01 0.00 0.00 177.00 176.65 1sjb n GLY 346 N 0.12 2.69 0.38 0.52 0.00 0.24 -1.51 105.19 107.63 1sjb n GLY 346 Ca 0.12 -0.35 0.20 0.00 0.00 0.00 0.00 46.02 46.00 1sjb n GLY 346 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjb h LEU 347 N 0.00 0.00 0.00 0.99 3.38 -1.84 -2.63 115.31 115.21 1sjb h LEU 347 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sjb h LEU 347 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sjb h LEU 347 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1sjb n GLY 348 N -1.57 0.63 3.42 0.83 0.00 -0.57 -4.71 105.19 103.22 1sjb n GLY 348 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1sjb n GLY 348 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjb s VAL 349 N -2.20 0.01 0.13 1.61 0.11 -1.26 -4.56 120.40 114.23 1sjb s VAL 349 Ca 0.00 -0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 58.73 1sjb s VAL 349 Cb 0.00 -1.02 0.07 0.00 -1.53 0.00 0.00 36.38 33.91 1sjb s VAL 349 CO 0.00 -0.04 0.63 0.00 -3.33 0.00 0.00 175.10 172.36 1sjb s ALA 350 N -3.42 -1.64 0.29 1.54 0.00 -1.26 -4.99 121.76 112.28 1sjb s ALA 350 Ca -0.00 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1sjb s ALA 350 Cb -0.01 0.77 -0.10 0.00 0.00 0.00 0.00 23.12 23.79 1sjb s ALA 350 CO -0.10 -0.73 1.21 -1.25 0.00 0.00 0.00 175.76 174.89 1sjb s PRO 351 N -3.48 4.49 -0.38 0.00 0.05 -1.26 -4.44 135.00 129.98 1sjb s PRO 351 Ca 0.00 2.01 -0.21 0.00 0.05 0.00 0.00 61.00 62.85 1sjb s PRO 351 Cb -0.01 -3.14 0.01 0.00 0.05 0.00 0.00 34.50 31.41 1sjb s PRO 351 CO -0.11 -0.01 0.69 0.42 0.05 0.00 0.00 177.00 178.04 1sjb s ILE 352 N -0.98 4.81 0.21 0.56 1.09 0.25 -4.95 121.20 122.20 1sjb s ILE 352 Ca 0.48 0.57 -0.11 0.00 -1.10 0.00 0.00 60.65 60.48 1sjb s ILE 352 Cb -0.36 -4.15 0.21 0.00 -1.06 0.00 0.00 42.46 37.09 1sjb s ILE 352 CO 0.46 -0.43 1.65 -0.65 -0.10 0.00 0.00 174.94 175.87 1sjb h PRO 353 N 8.59 0.08 -0.55 2.79 0.11 -1.94 0.50 132.00 141.59 1sjb h PRO 353 Ca -0.26 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 1sjb h PRO 353 Cb 1.10 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1sjb h PRO 353 CO 0.88 0.05 0.09 0.93 -0.21 0.00 0.00 178.00 179.74 1sjb h GLU 354 N 0.08 0.87 -0.03 1.05 3.07 -1.98 0.65 114.58 118.29 1sjb h GLU 354 Ca 0.32 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1sjb h GLU 354 Cb 0.51 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1sjb h GLU 354 CO -0.56 0.81 0.02 -0.07 -1.40 0.00 0.00 179.01 177.81 1sjb h LEU 355 N 0.82 0.04 0.17 1.33 4.07 -1.31 -1.84 115.31 118.60 1sjb h LEU 355 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1sjb h LEU 355 Cb 0.36 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1sjb h LEU 355 CO 0.01 0.05 -0.08 0.25 -1.08 0.00 0.00 178.44 177.58 1sjb h LEU 356 N 0.02 -0.20 -1.28 1.67 5.85 0.27 -2.73 115.31 118.93 1sjb h LEU 356 Ca 0.01 -0.23 0.29 0.00 0.84 0.00 0.00 57.88 58.79 1sjb h LEU 356 Cb 0.02 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 40.99 1sjb h LEU 356 CO -0.00 0.13 0.67 0.44 -0.34 0.00 0.00 178.44 179.34 1sjb h ASP 357 N -0.54 0.47 0.32 1.25 3.32 0.36 0.25 116.42 121.85 1sjb h ASP 357 Ca -0.02 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1sjb h ASP 357 Cb 0.41 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1sjb h ASP 357 CO 0.04 0.04 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.24 1sjb h GLU 358 N 0.39 0.00 -0.02 3.56 4.81 -1.02 -2.34 114.58 119.97 1sjb h GLU 358 Ca 0.64 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 1sjb h GLU 358 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1sjb h GLU 358 CO -0.37 0.27 -0.12 1.33 -0.73 0.00 0.00 179.01 179.40 1sjb n VAL 359 N -4.10 0.00 -2.50 0.32 0.24 0.82 -4.92 118.33 108.19 1sjb n VAL 359 Ca -0.02 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.55 1sjb n VAL 359 Cb 0.33 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 1sjb n VAL 359 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1sjb s THR 360 N -2.17 4.30 -0.12 3.34 2.01 -0.73 -1.12 115.64 121.16 1sjb s THR 360 Ca 0.30 1.64 0.16 0.00 0.31 0.00 0.00 61.69 64.09 1sjb s THR 360 Cb 0.20 -4.05 -0.23 0.00 0.01 0.00 0.00 72.50 68.43 1sjb s THR 360 CO 0.39 0.07 0.17 0.35 -0.69 0.00 0.00 174.62 174.91 1sjb n THR 361 N 4.25 0.76 -3.64 -0.82 -2.24 1.20 -4.95 114.28 108.84 1sjb n THR 361 Ca 0.09 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 1sjb n THR 361 Cb 0.47 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.29 1sjb n THR 361 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sjb s ALA 362 N -2.68 -1.18 -0.11 6.98 0.00 -1.08 -4.93 121.76 118.77 1sjb s ALA 362 Ca -0.08 0.57 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 1sjb s ALA 362 Cb 0.07 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.45 1sjb s ALA 362 CO 0.70 -0.41 0.37 0.21 0.00 0.00 0.00 175.76 176.63 1sjb s LYS 363 N -1.96 0.51 -0.07 0.00 2.20 -1.25 0.13 119.74 119.30 1sjb s LYS 363 Ca -0.08 0.33 -0.17 0.00 -0.36 0.00 0.00 55.97 55.68 1sjb s LYS 363 Cb -0.02 0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.58 1sjb s LYS 363 CO 0.02 -0.09 0.41 0.08 -0.36 0.00 0.00 175.35 175.40 1sjb s VAL 364 N -0.24 0.03 -0.20 4.02 1.01 0.07 -4.97 120.40 120.12 1sjb s VAL 364 Ca -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1sjb s VAL 364 Cb -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1sjb s VAL 364 CO 0.02 -0.13 -0.10 0.86 0.00 0.00 0.00 175.10 175.75 1sjb s TRP 365 N -0.74 2.89 -0.30 5.22 -0.11 -1.26 0.12 118.94 124.76 1sjb s TRP 365 Ca -0.08 -1.15 -0.05 0.00 1.22 0.00 0.00 56.10 56.03 1sjb s TRP 365 Cb -0.04 -2.02 0.02 0.00 -1.50 0.00 0.00 33.47 29.93 1sjb s TRP 365 CO 0.04 -0.61 0.05 0.42 -4.62 0.00 0.00 176.95 172.22 1sjb s ILE 366 N 1.34 3.56 0.38 5.86 1.09 0.15 -4.96 121.20 128.63 1sjb s ILE 366 Ca 0.04 -0.96 0.02 0.00 -1.10 0.00 0.00 60.65 58.66 1sjb s ILE 366 Cb -0.14 -2.90 -0.01 0.00 -1.06 0.00 0.00 42.46 38.35 1sjb s ILE 366 CO -0.06 0.02 0.07 0.61 -0.10 0.00 0.00 174.94 175.48 1sjb n GLY 367 N 4.78 3.51 0.00 6.18 0.00 -1.26 0.49 105.19 118.89 1sjb n GLY 367 Ca -0.14 -2.21 0.11 0.00 0.00 0.00 0.00 46.02 43.78 1sjb n GLY 367 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18