#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxs s LEU 2 N 0.00 5.24 -0.12 4.03 2.96 -1.26 -5.00 118.68 124.53 3jxs s LEU 2 Ca 0.00 -1.87 -0.11 0.00 -0.22 0.00 0.00 54.13 51.93 3jxs s LEU 2 Cb 0.00 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 3jxs s LEU 2 CO 0.00 -1.07 0.24 -0.69 -1.32 0.00 0.00 176.35 173.51 3jxs s VAL 3 N 2.56 5.34 -0.02 1.68 1.01 -1.26 -3.80 120.40 125.90 3jxs s VAL 3 Ca 0.25 0.43 0.12 0.00 0.00 0.00 0.00 61.98 62.78 3jxs s VAL 3 Cb -0.11 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 3jxs s VAL 3 CO -0.04 0.51 1.10 0.00 0.00 0.00 0.00 175.10 176.67 3jxs h ALA 4 N 5.72 0.57 -2.12 5.51 0.00 -1.09 -3.46 119.26 124.39 3jxs h ALA 4 Ca -0.48 -0.92 -0.46 0.00 0.00 0.00 0.00 54.91 53.05 3jxs h ALA 4 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3jxs h ALA 4 CO 0.67 1.13 -0.32 0.54 0.00 0.00 0.00 179.25 181.26 3jxs s ASN 5 N -6.35 6.21 -0.08 0.00 4.22 -1.26 -1.21 114.94 116.48 3jxs s ASN 5 Ca -0.00 0.14 -0.00 0.00 -2.14 0.00 0.00 52.86 50.86 3jxs s ASN 5 Cb 0.09 -1.77 -0.03 0.00 1.28 0.00 0.00 41.25 40.82 3jxs s ASN 5 CO 0.80 -0.25 -0.04 -0.63 -2.04 0.00 0.00 177.10 174.94 3jxs s ILE 6 N -2.15 3.93 -1.52 0.54 1.01 -1.26 -4.67 121.20 117.08 3jxs s ILE 6 Ca 0.39 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 3jxs s ILE 6 Cb -0.09 -2.63 0.08 0.00 0.01 0.00 0.00 42.46 39.83 3jxs s ILE 6 CO 0.32 0.59 0.90 -3.20 0.00 0.00 0.00 174.94 173.55 3jxs n ASN 7 N 2.31 -3.94 0.30 3.58 5.15 -1.26 -4.40 115.26 116.99 3jxs n ASN 7 Ca -0.18 -0.83 0.15 0.00 -0.60 0.00 0.00 54.58 53.13 3jxs n ASN 7 Cb 0.53 -3.72 0.91 0.00 -0.53 0.00 0.00 39.78 36.97 3jxs n ASN 7 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3jxs h GLY 8 N -1.98 0.00 -1.88 8.20 0.00 -1.83 -2.03 103.07 103.56 3jxs h GLY 8 Ca -0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3jxs h GLY 8 CO 0.67 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.82 3jxs n GLY 9 N -1.20 2.73 2.67 4.60 0.00 -1.26 -1.27 105.19 111.46 3jxs n GLY 9 Ca -0.03 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3jxs n GLY 9 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3jxs n PHE 10 N 0.89 0.00 0.25 1.61 3.72 -0.76 -4.54 117.46 118.62 3jxs n PHE 10 Ca 0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.72 3jxs n PHE 10 Cb 0.54 -2.74 0.41 0.00 -0.94 0.00 0.00 39.48 36.75 3jxs n PHE 10 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3jxs h GLU 11 N 0.03 0.00 0.00 -1.08 4.39 -1.88 -2.07 114.58 113.97 3jxs h GLU 11 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3jxs h GLU 11 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3jxs h GLU 11 CO 0.38 0.01 -0.05 0.43 -1.16 0.00 0.00 179.01 178.61 3jxs n SER 12 N -3.10 0.07 -4.63 1.42 7.64 -1.26 -4.89 113.62 108.88 3jxs n SER 12 Ca 0.02 0.42 -0.35 0.00 1.01 0.00 0.00 58.87 59.98 3jxs n SER 12 Cb 0.43 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 3jxs n SER 12 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3jxs s THR 13 N -3.00 4.47 0.44 0.44 2.01 -0.78 -4.99 115.64 114.22 3jxs s THR 13 Ca 0.14 -0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.72 3jxs s THR 13 Cb 0.19 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.65 3jxs s THR 13 CO 0.55 0.52 1.45 -0.81 -0.69 0.00 0.00 174.62 175.64 3jxs n PRO 14 N 3.04 2.34 -2.08 4.92 -0.04 -1.26 -4.96 135.00 136.96 3jxs n PRO 14 Ca -0.18 0.83 -0.36 0.00 -0.04 0.00 0.00 63.50 63.75 3jxs n PRO 14 Cb 0.53 -2.64 0.02 0.00 -0.04 0.00 0.00 33.50 31.37 3jxs n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jxs s ALA 15 N -1.18 2.67 0.00 0.55 0.00 -1.26 -4.77 121.76 117.77 3jxs s ALA 15 Ca 0.60 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3jxs s ALA 15 Cb -0.45 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3jxs s ALA 15 CO 0.59 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3jxs n GLY 16 N 0.45 2.84 3.73 0.00 0.00 -0.07 -4.97 105.19 107.17 3jxs n GLY 16 Ca 0.12 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3jxs n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jxs s VAL 17 N -1.90 2.80 -0.14 1.61 1.01 -1.26 -1.19 120.40 121.33 3jxs s VAL 17 Ca 0.00 0.63 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 3jxs s VAL 17 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3jxs s VAL 17 CO 0.00 0.08 0.97 -0.69 0.00 0.00 0.00 175.10 175.46 3jxs s VAL 18 N 0.41 4.79 -0.49 2.92 1.01 0.44 -4.89 120.40 124.58 3jxs s VAL 18 Ca 0.62 1.95 0.11 0.00 0.00 0.00 0.00 61.98 64.65 3jxs s VAL 18 Cb -0.41 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.58 3jxs s VAL 18 CO 0.38 -0.02 0.45 0.35 0.00 0.00 0.00 175.10 176.26 3jxs n THR 19 N 4.73 0.00 -3.73 3.92 -2.24 -1.26 -4.70 114.28 111.00 3jxs n THR 19 Ca 0.08 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 3jxs n THR 19 Cb 0.48 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 3jxs n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jxs s ASP 20 N -2.05 5.24 0.33 3.42 -1.08 -1.26 -4.95 116.67 116.32 3jxs s ASP 20 Ca 0.04 -2.65 0.10 0.00 -0.52 0.00 0.00 52.55 49.51 3jxs s ASP 20 Cb 0.08 -1.85 0.59 0.00 -1.46 0.00 0.00 42.92 40.28 3jxs s ASP 20 CO 0.44 -0.41 1.77 -0.07 0.52 0.00 0.00 175.17 177.41 3jxs h LEU 21 N 7.28 0.12 0.21 -1.34 3.38 -1.86 -0.48 115.31 122.62 3jxs h LEU 21 Ca -0.05 -0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.56 3jxs h LEU 21 Cb 0.97 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.72 3jxs h LEU 21 CO 0.71 0.50 -1.40 0.00 0.09 0.00 0.00 178.44 178.34 3jxs h ALA 22 N 1.51 -0.09 0.00 1.53 0.00 -1.90 0.39 119.26 120.69 3jxs h ALA 22 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3jxs h ALA 22 Cb 0.73 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3jxs h ALA 22 CO 0.05 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.43 3jxs n GLU 23 N -3.70 -0.32 0.28 0.00 1.02 -1.23 -4.52 120.64 112.17 3jxs n GLU 23 Ca -0.15 -0.25 0.17 0.00 -0.02 0.00 0.00 57.16 56.91 3jxs n GLU 23 Cb 1.07 -0.74 0.70 0.00 -0.02 0.00 0.00 31.44 32.45 3jxs n GLU 23 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3jxs h GLY 24 N 0.00 0.00 -7.63 0.62 0.00 -1.32 -3.39 103.07 91.36 3jxs h GLY 24 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 3jxs h GLY 24 CO 0.00 0.00 -0.78 0.14 0.00 0.00 0.00 176.54 175.90 3jxs s VAL 25 N -3.68 1.59 0.32 4.60 1.01 -1.26 -4.92 120.40 118.05 3jxs s VAL 25 Ca 0.01 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.36 3jxs s VAL 25 Cb 0.09 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 34.46 3jxs s VAL 25 CO 0.54 -0.17 1.35 1.21 0.00 0.00 0.00 175.10 178.03 3jxs n GLU 26 N 4.63 2.19 -0.96 2.72 2.13 -1.26 -2.17 120.64 127.92 3jxs n GLU 26 Ca -0.10 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3jxs n GLU 26 Cb 0.44 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.76 3jxs n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3jxs n GLY 27 N 1.13 0.66 3.10 8.31 0.00 -1.26 -4.63 105.19 112.50 3jxs n GLY 27 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3jxs n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3jxs s TRP 28 N -2.59 0.20 -0.11 1.61 0.52 -0.92 -0.95 118.94 116.69 3jxs s TRP 28 Ca 0.00 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.67 3jxs s TRP 28 Cb 0.00 -0.15 0.01 0.00 -1.15 0.00 0.00 33.47 32.19 3jxs s TRP 28 CO 0.00 -0.33 -0.19 -0.51 0.02 0.00 0.00 176.95 175.94 3jxs s ASP 29 N -1.97 2.70 -0.06 2.95 1.11 0.58 -4.63 116.67 117.35 3jxs s ASP 29 Ca -0.07 -0.49 0.02 0.00 0.18 0.00 0.00 52.55 52.19 3jxs s ASP 29 Cb -0.03 -1.23 -0.03 0.00 1.07 0.00 0.00 42.92 42.71 3jxs s ASP 29 CO -0.03 0.06 -0.11 -0.76 1.18 0.00 0.00 175.17 175.51 3jxs s LEU 30 N 0.78 2.91 0.15 1.23 1.43 0.13 -0.79 118.68 124.51 3jxs s LEU 30 Ca -0.10 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 3jxs s LEU 30 Cb -0.16 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.49 3jxs s LEU 30 CO 0.01 0.35 0.46 0.21 0.23 0.00 0.00 176.35 177.61 3jxs s ASN 31 N -0.75 -0.28 -0.05 2.29 3.84 -1.17 -4.15 114.94 114.67 3jxs s ASN 31 Ca 0.12 -0.33 0.03 0.00 0.21 0.00 0.00 52.86 52.89 3jxs s ASN 31 Cb -0.11 0.52 0.00 0.00 -0.55 0.00 0.00 41.25 41.11 3jxs s ASN 31 CO 0.01 -0.92 -0.14 -0.69 -2.79 0.00 0.00 177.10 172.57 3jxs s VAL 32 N -3.82 1.19 0.48 -5.21 1.01 -1.26 -2.61 120.40 110.19 3jxs s VAL 32 Ca 0.05 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 3jxs s VAL 32 Cb 0.01 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 3jxs s VAL 32 CO -0.10 0.36 1.23 -0.83 0.00 0.00 0.00 175.10 175.76 3jxs s GLY 33 N 0.32 2.82 0.48 4.51 0.00 0.44 -4.90 107.32 110.99 3jxs s GLY 33 Ca -0.08 1.07 0.33 0.00 0.00 0.00 0.00 44.72 46.03 3jxs s GLY 33 CO 0.03 1.55 1.99 1.48 0.00 0.00 0.00 173.10 178.15 3jxs h SER 34 N 1.89 0.00 0.88 1.64 4.64 -2.01 -1.51 113.55 119.08 3jxs h SER 34 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3jxs h SER 34 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3jxs h SER 34 CO 0.59 0.00 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.94 3jxs n SER 35 N -2.72 0.09 -4.61 4.97 3.41 -1.26 -4.72 113.62 108.78 3jxs n SER 35 Ca -0.01 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.50 3jxs n SER 35 Cb 0.14 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 3jxs n SER 35 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3jxs s VAL 36 N -2.96 4.66 -0.59 -3.33 1.01 -0.57 -4.55 120.40 114.06 3jxs s VAL 36 Ca 0.15 1.25 0.19 0.00 0.00 0.00 0.00 61.98 63.56 3jxs s VAL 36 Cb 0.19 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 32.06 3jxs s VAL 36 CO 0.55 -0.42 0.67 0.35 0.00 0.00 0.00 175.10 176.24 3jxs n THR 37 N 5.79 0.00 -3.94 3.92 -2.24 -1.26 -4.62 114.28 111.93 3jxs n THR 37 Ca 0.06 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3jxs n THR 37 Cb 0.48 0.68 -0.14 0.00 -2.10 0.00 0.00 70.33 69.25 3jxs n THR 37 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3jxs s ASN 38 N -3.25 4.75 0.57 3.42 3.84 -1.26 -5.10 114.94 117.91 3jxs s ASN 38 Ca 0.02 -2.43 -0.18 0.00 0.21 0.00 0.00 52.86 50.48 3jxs s ASN 38 Cb 0.13 -1.68 -0.05 0.00 -0.55 0.00 0.00 41.25 39.11 3jxs s ASN 38 CO 0.78 -0.36 1.08 -2.16 -2.79 0.00 0.00 177.10 173.65 3jxs s PRO 39 N 0.53 3.35 0.85 0.43 0.04 -1.26 -3.43 135.00 135.52 3jxs s PRO 39 Ca 0.13 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 3jxs s PRO 39 Cb -0.22 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.40 3jxs s PRO 39 CO -0.05 -0.81 1.14 -1.25 0.04 0.00 0.00 177.00 176.08 3jxs s PRO 40 N -3.66 1.60 -0.10 0.56 0.04 -1.26 -4.50 135.00 127.68 3jxs s PRO 40 Ca 0.67 0.28 0.04 0.00 0.04 0.00 0.00 61.00 62.04 3jxs s PRO 40 Cb -0.19 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3jxs s PRO 40 CO 0.31 -1.88 -0.24 0.08 0.04 0.00 0.00 177.00 175.31 3jxs s VAL 41 N -3.36 2.06 -0.14 -0.36 1.01 -0.42 -4.97 120.40 114.21 3jxs s VAL 41 Ca 0.63 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3jxs s VAL 41 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3jxs s VAL 41 CO 0.52 0.56 -0.05 -0.36 0.00 0.00 0.00 175.10 175.77 3jxs s PHE 42 N 0.36 2.99 -0.03 5.22 0.08 -1.26 -0.90 117.98 124.42 3jxs s PHE 42 Ca -0.19 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 3jxs s PHE 42 Cb -0.18 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 3jxs s PHE 42 CO 0.09 -0.01 0.07 -2.00 -0.10 0.00 0.00 175.22 173.26 3jxs s GLU 43 N 0.21 -0.00 -0.22 0.44 2.12 -0.29 -0.42 118.70 120.54 3jxs s GLU 43 Ca -0.03 0.25 -0.26 0.00 0.36 0.00 0.00 54.97 55.29 3jxs s GLU 43 Cb -0.14 -0.24 -0.00 0.00 0.26 0.00 0.00 34.13 34.01 3jxs s GLU 43 CO 0.03 -0.17 0.88 0.08 -0.54 0.00 0.00 175.26 175.53 3jxs s VAL 44 N 1.14 4.82 -0.13 3.70 1.01 -0.33 -0.96 120.40 129.65 3jxs s VAL 44 Ca -0.09 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 3jxs s VAL 44 Cb -0.13 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3jxs s VAL 44 CO -0.04 -0.06 0.02 -0.76 0.00 0.00 0.00 175.10 174.26 3jxs s LEU 45 N 2.70 3.63 -0.29 3.92 1.43 -0.05 -0.90 118.68 129.13 3jxs s LEU 45 Ca 0.38 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 3jxs s LEU 45 Cb -0.16 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3jxs s LEU 45 CO 0.09 0.29 0.55 -0.70 0.23 0.00 0.00 176.35 176.80 3jxs s GLU 46 N -0.33 3.96 -0.04 1.70 2.12 -1.26 -1.39 118.70 123.46 3jxs s GLU 46 Ca 0.07 0.25 -0.20 0.00 0.36 0.00 0.00 54.97 55.45 3jxs s GLU 46 Cb -0.12 -3.70 0.04 0.00 0.26 0.00 0.00 34.13 30.61 3jxs s GLU 46 CO 0.02 -0.46 0.45 -0.08 -0.54 0.00 0.00 175.26 174.65 3jxs s THR 47 N 2.41 0.03 -0.73 -1.70 -1.32 0.48 -5.01 115.64 109.80 3jxs s THR 47 Ca 0.22 -0.27 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 3jxs s THR 47 Cb -0.15 -0.75 0.22 0.00 -1.51 0.00 0.00 72.50 70.31 3jxs s THR 47 CO 0.10 -0.15 1.68 -1.54 -2.21 0.00 0.00 174.62 172.51 3jxs n SER 48 N 1.30 0.44 -0.95 8.08 3.41 -1.26 -3.61 113.62 121.03 3jxs n SER 48 Ca -0.20 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 58.99 3jxs n SER 48 Cb 0.56 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.90 3jxs n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3jxs n ASP 49 N -1.96 2.38 -4.77 4.04 -0.08 -1.26 -4.92 116.55 109.98 3jxs n ASP 49 Ca 0.04 -2.24 -0.37 0.00 -1.51 0.00 0.00 54.79 50.70 3jxs n ASP 49 Cb 0.26 -0.55 -0.06 0.00 2.34 0.00 0.00 41.12 43.11 3jxs n ASP 49 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3jxs s ALA 50 N -1.16 3.60 0.44 -1.67 0.00 -1.24 -4.97 121.76 116.77 3jxs s ALA 50 Ca 0.12 -0.29 0.32 0.00 0.00 0.00 0.00 51.96 52.11 3jxs s ALA 50 Cb 0.09 -2.46 1.67 0.00 0.00 0.00 0.00 23.12 22.43 3jxs s ALA 50 CO 0.03 0.23 2.14 -1.35 0.00 0.00 0.00 175.76 176.81 3jxs h PRO 51 N 5.88 0.00 -3.10 0.00 0.11 -1.91 -3.43 132.00 129.55 3jxs h PRO 51 Ca -0.46 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 3jxs h PRO 51 Cb 1.19 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.00 3jxs h PRO 51 CO 0.70 0.07 -0.53 -2.00 -0.21 0.00 0.00 178.00 176.02 3jxs s GLU 52 N -4.16 0.16 4.11 1.05 -6.30 -1.26 -5.06 118.70 107.24 3jxs s GLU 52 Ca -0.03 0.48 0.00 0.00 -2.50 0.00 0.00 54.97 52.92 3jxs s GLU 52 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 34.13 34.11 3jxs s GLU 52 CO 0.54 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.06 3jxs n GLY 53 N 4.29 1.02 0.10 -1.50 0.00 -1.26 -4.07 105.19 103.77 3jxs n GLY 53 Ca -0.25 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.12 3jxs n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jxs n ASN 54 N -1.20 1.45 -4.31 1.61 0.23 -1.26 -4.67 115.26 107.11 3jxs n ASN 54 Ca 0.00 -2.17 -0.30 0.00 -0.53 0.00 0.00 54.58 51.59 3jxs n ASN 54 Cb 0.00 -0.17 -0.15 0.00 -2.08 0.00 0.00 39.78 37.38 3jxs n ASN 54 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3jxs s LYS 55 N -1.26 1.89 0.15 -3.83 -0.14 -1.26 -0.39 119.74 114.90 3jxs s LYS 55 Ca 0.10 -0.97 0.05 0.00 -1.36 0.00 0.00 55.97 53.79 3jxs s LYS 55 Cb 0.09 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.27 3jxs s LYS 55 CO 0.01 0.51 -0.10 0.14 -0.76 0.00 0.00 175.35 175.15 3jxs s VAL 56 N -0.68 1.18 -0.22 3.17 -7.23 -0.49 -4.75 120.40 111.39 3jxs s VAL 56 Ca 0.10 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 3jxs s VAL 56 Cb -0.10 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 3jxs s VAL 56 CO 0.00 -0.74 0.24 -0.22 -0.31 0.00 0.00 175.10 174.07 3jxs s LEU 57 N -3.15 4.15 -0.18 1.32 2.96 -0.77 -0.87 118.68 122.14 3jxs s LEU 57 Ca 0.17 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.30 3jxs s LEU 57 Cb 0.02 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3jxs s LEU 57 CO 0.01 0.04 -0.01 0.00 -1.32 0.00 0.00 176.35 175.06 3jxs s ALA 58 N 1.02 3.06 -0.26 5.97 0.00 -0.13 -1.20 121.76 130.22 3jxs s ALA 58 Ca 0.12 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3jxs s ALA 58 Cb -0.14 -1.70 0.06 0.00 0.00 0.00 0.00 23.12 21.34 3jxs s ALA 58 CO 0.05 0.04 -0.10 0.08 0.00 0.00 0.00 175.76 175.83 3jxs s VAL 59 N 0.65 2.29 -0.31 0.00 1.01 0.85 -1.14 120.40 123.75 3jxs s VAL 59 Ca -0.01 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.30 3jxs s VAL 59 Cb -0.14 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3jxs s VAL 59 CO 0.02 -0.00 0.22 -0.89 0.00 0.00 0.00 175.10 174.44 3jxs s THR 60 N 1.14 5.26 -0.28 3.92 2.01 -0.08 -0.59 115.64 127.02 3jxs s THR 60 Ca -0.08 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 3jxs s THR 60 Cb -0.20 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3jxs s THR 60 CO -0.05 0.10 0.26 -0.69 -0.69 0.00 0.00 174.62 173.55 3jxs s VAL 61 N 1.73 5.26 -1.09 3.82 1.01 -0.85 -1.30 120.40 128.99 3jxs s VAL 61 Ca 0.06 0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.47 3jxs s VAL 61 Cb -0.17 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3jxs s VAL 61 CO 0.10 0.21 0.70 0.59 0.00 0.00 0.00 175.10 176.71 3jxs n ASN 62 N 5.16 1.41 0.00 3.32 5.03 -1.26 -0.79 115.26 128.13 3jxs n ASN 62 Ca -0.12 -1.20 0.00 0.00 0.87 0.00 0.00 54.58 54.13 3jxs n ASN 62 Cb 0.51 0.38 0.00 0.00 -1.02 0.00 0.00 39.78 39.65 3jxs n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jxs n GLY 63 N 0.88 1.56 3.55 7.41 0.00 -1.22 -4.78 105.19 112.59 3jxs n GLY 63 Ca 0.05 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 3jxs n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jxs s VAL 64 N -2.00 1.04 0.00 1.61 -7.23 -1.26 -4.87 120.40 107.69 3jxs s VAL 64 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3jxs s VAL 64 Cb 0.00 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3jxs s VAL 64 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3jxs n GLY 65 N -0.91 4.11 0.07 2.32 0.00 -1.26 -4.42 105.19 105.10 3jxs n GLY 65 Ca -0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 3jxs n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jxs n ASN 66 N 0.00 0.25 -4.25 1.61 5.03 -1.26 -4.98 115.26 111.66 3jxs n ASN 66 Ca 0.00 0.11 -0.22 0.00 0.87 0.00 0.00 54.58 55.34 3jxs n ASN 66 Cb 0.00 1.03 -0.12 0.00 -1.02 0.00 0.00 39.78 39.66 3jxs n ASN 66 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3jxs s ASN 67 N -5.31 2.27 0.53 6.41 0.01 -1.26 -5.04 114.94 112.54 3jxs s ASN 67 Ca -0.07 -0.65 0.30 0.00 -0.71 0.00 0.00 52.86 51.72 3jxs s ASN 67 Cb 0.09 -0.12 1.45 0.00 0.41 0.00 0.00 41.25 43.08 3jxs s ASN 67 CO 0.85 0.03 2.05 1.55 -1.51 0.00 0.00 177.10 180.06 3jxs h PRO 68 N 4.22 0.00 -0.00 -0.60 0.13 -1.94 -1.37 132.00 132.43 3jxs h PRO 68 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3jxs h PRO 68 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3jxs h PRO 68 CO 0.40 0.11 -0.01 2.48 -0.23 0.00 0.00 178.00 180.75 3jxs n TYR 69 N -3.45 0.00 0.20 1.56 0.18 -1.26 -0.80 117.16 113.59 3jxs n TYR 69 Ca -0.01 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.86 3jxs n TYR 69 Cb 0.27 -0.07 0.44 0.00 -0.38 0.00 0.00 39.34 39.60 3jxs n TYR 69 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 3jxs n ASP 70 N -0.90 0.44 -3.99 9.48 8.00 -0.52 -3.49 116.55 125.58 3jxs n ASP 70 Ca 0.21 0.68 -0.30 0.00 0.71 0.00 0.00 54.79 56.09 3jxs n ASP 70 Cb 0.18 -0.74 -0.16 0.00 -0.02 0.00 0.00 41.12 40.37 3jxs n ASP 70 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3jxs s ILE 71 N -3.37 1.53 0.07 0.53 1.01 -1.24 -0.42 121.20 119.31 3jxs s ILE 71 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 3jxs s ILE 71 Cb 0.06 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3jxs s ILE 71 CO 0.20 0.26 0.15 -1.38 0.00 0.00 0.00 174.94 174.18 3jxs s HIS 72 N 1.47 0.18 -0.16 3.97 -3.43 -1.07 -0.97 115.29 115.28 3jxs s HIS 72 Ca 0.01 -0.56 -0.00 0.00 -0.80 0.00 0.00 55.06 53.71 3jxs s HIS 72 Cb -0.15 -0.10 0.04 0.00 -1.43 0.00 0.00 32.58 30.94 3jxs s HIS 72 CO -0.09 -0.48 -0.07 0.00 -2.00 0.00 0.00 174.74 172.11 3jxs s ALA 73 N -3.42 1.52 -0.18 -1.38 0.00 -0.71 -3.03 121.76 114.56 3jxs s ALA 73 Ca 0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3jxs s ALA 73 Cb 0.03 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 3jxs s ALA 73 CO -0.08 -0.69 -0.12 0.99 0.00 0.00 0.00 175.76 175.86 3jxs s THR 74 N 1.62 2.88 0.05 0.00 2.01 0.03 -0.72 115.64 121.52 3jxs s THR 74 Ca 0.02 -0.68 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 3jxs s THR 74 Cb -0.15 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.05 3jxs s THR 74 CO -0.08 0.49 1.31 0.00 -0.69 0.00 0.00 174.62 175.65 3jxs s ALA 75 N 1.05 3.51 -0.28 7.40 0.00 -0.77 -0.31 121.76 132.36 3jxs s ALA 75 Ca -0.00 0.93 -0.24 0.00 0.00 0.00 0.00 51.96 52.64 3jxs s ALA 75 Cb -0.15 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.56 3jxs s ALA 75 CO -0.03 -0.64 0.93 -1.17 0.00 0.00 0.00 175.76 174.86 3jxs s LEU 76 N 1.50 -0.55 0.64 0.00 2.96 -0.13 -1.03 118.68 122.07 3jxs s LEU 76 Ca 0.62 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 55.44 3jxs s LEU 76 Cb -0.32 2.05 -0.01 0.00 0.50 0.00 0.00 46.19 48.41 3jxs s LEU 76 CO 0.28 -0.18 1.07 -2.16 -1.32 0.00 0.00 176.35 174.04 3jxs s PRO 77 N 0.39 3.06 -0.28 0.98 0.04 -1.26 -3.28 135.00 134.65 3jxs s PRO 77 Ca 0.01 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.24 3jxs s PRO 77 Cb -0.05 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.56 3jxs s PRO 77 CO -0.05 -1.01 -0.05 0.08 0.04 0.00 0.00 177.00 176.00 3jxs s VAL 78 N -2.63 2.07 -0.26 -0.36 1.01 -0.67 -4.20 120.40 115.35 3jxs s VAL 78 Ca 0.62 -1.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 3jxs s VAL 78 Cb -0.16 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3jxs s VAL 78 CO 0.44 -0.22 0.55 0.20 0.00 0.00 0.00 175.10 176.08 3jxs s ASN 79 N 1.10 6.48 0.23 3.32 0.02 -0.35 -0.72 114.94 125.02 3jxs s ASN 79 Ca -0.02 0.57 0.00 0.00 -1.02 0.00 0.00 52.86 52.38 3jxs s ASN 79 Cb -0.19 -2.30 -0.04 0.00 0.02 0.00 0.00 41.25 38.74 3jxs s ASN 79 CO -0.07 -0.32 0.15 0.68 0.02 0.00 0.00 177.10 177.56 3jxs s VAL 80 N 2.38 0.07 -0.08 1.60 -7.23 0.08 -4.58 120.40 112.63 3jxs s VAL 80 Ca 0.23 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 3jxs s VAL 80 Cb -0.16 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3jxs s VAL 80 CO 0.09 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.53 3jxs s ARG 81 N -4.05 2.85 0.25 4.82 0.52 -1.26 -4.35 118.95 117.73 3jxs s ARG 81 Ca 0.39 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 3jxs s ARG 81 Cb 0.06 -2.30 -0.14 0.00 0.52 0.00 0.00 34.95 33.09 3jxs s ARG 81 CO 0.14 0.31 1.13 -2.30 0.02 0.00 0.00 175.30 174.60 3jxs n PRO 82 N 3.18 1.43 -0.15 3.54 -0.02 -1.24 -2.13 135.00 139.61 3jxs n PRO 82 Ca -0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3jxs n PRO 82 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3jxs n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jxs n GLY 83 N 1.58 1.70 3.80 -1.23 0.00 0.61 -5.01 105.19 106.63 3jxs n GLY 83 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3jxs n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jxs s VAL 84 N -2.81 4.41 -0.25 1.61 1.01 -0.91 -4.71 120.40 118.75 3jxs s VAL 84 Ca 0.00 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 3jxs s VAL 84 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3jxs s VAL 84 CO 0.00 0.22 0.24 -0.89 0.00 0.00 0.00 175.10 174.66 3jxs s THR 85 N -1.52 5.30 0.20 3.92 2.01 -1.26 -1.01 115.64 123.27 3jxs s THR 85 Ca 0.45 0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.84 3jxs s THR 85 Cb -0.18 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3jxs s THR 85 CO 0.23 0.28 0.08 -0.31 -0.69 0.00 0.00 174.62 174.21 3jxs s TYR 86 N 1.41 2.97 -0.23 4.92 2.02 0.68 -4.65 117.35 124.46 3jxs s TYR 86 Ca 0.10 -0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.62 3jxs s TYR 86 Cb -0.15 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 3jxs s TYR 86 CO 0.07 0.53 0.07 0.99 -1.57 0.00 0.00 175.55 175.65 3jxs s THR 87 N -1.89 4.47 -0.20 -0.71 2.01 0.31 -0.92 115.64 118.73 3jxs s THR 87 Ca 0.30 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 3jxs s THR 87 Cb -0.09 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 3jxs s THR 87 CO 0.21 0.36 0.12 -0.47 -0.69 0.00 0.00 174.62 174.15 3jxs s TYR 88 N 1.33 3.37 -0.00 4.92 5.04 0.13 -0.98 117.35 131.16 3jxs s TYR 88 Ca 0.05 0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 3jxs s TYR 88 Cb -0.15 -2.15 -0.00 0.00 0.35 0.00 0.00 41.96 40.01 3jxs s TYR 88 CO 0.04 0.24 -0.03 0.99 -1.34 0.00 0.00 175.55 175.45 3jxs s THR 89 N 0.41 0.21 0.10 4.34 2.01 -0.39 -1.19 115.64 121.12 3jxs s THR 89 Ca 0.07 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.82 3jxs s THR 89 Cb -0.11 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.23 3jxs s THR 89 CO -0.01 0.06 0.32 -0.51 -0.69 0.00 0.00 174.62 173.79 3jxs s ILE 90 N -0.04 0.09 0.02 1.82 2.07 -0.49 -0.26 121.20 124.42 3jxs s ILE 90 Ca 0.01 -0.77 0.05 0.00 -1.41 0.00 0.00 60.65 58.52 3jxs s ILE 90 Cb -0.01 -1.18 -0.03 0.00 0.13 0.00 0.00 42.46 41.37 3jxs s ILE 90 CO -0.00 -0.43 -0.11 0.26 -1.91 0.00 0.00 174.94 172.75 3jxs s TRP 91 N -3.58 2.76 -0.01 3.50 0.52 0.10 -0.84 118.94 121.40 3jxs s TRP 91 Ca 0.02 -0.13 -0.15 0.00 0.02 0.00 0.00 56.10 55.86 3jxs s TRP 91 Cb 0.02 -1.55 0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3jxs s TRP 91 CO -0.10 0.32 0.31 0.00 0.02 0.00 0.00 176.95 177.51 3jxs s ALA 92 N -0.97 -0.79 0.24 0.98 0.00 -0.57 -1.49 121.76 119.16 3jxs s ALA 92 Ca 0.16 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 3jxs s ALA 92 Cb -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3jxs s ALA 92 CO 0.07 -0.28 0.42 -0.98 0.00 0.00 0.00 175.76 174.99 3jxs s ARG 93 N -1.45 1.50 0.08 0.00 1.70 -0.50 -2.00 118.95 118.28 3jxs s ARG 93 Ca -0.13 -1.33 0.01 0.00 -0.47 0.00 0.00 55.73 53.82 3jxs s ARG 93 Cb -0.05 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3jxs s ARG 93 CO 0.04 -0.61 -0.06 0.00 -1.08 0.00 0.00 175.30 173.59 3jxs s ALA 94 N -4.01 0.81 0.17 7.88 0.00 0.30 -0.21 121.76 126.71 3jxs s ALA 94 Ca 0.25 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 3jxs s ALA 94 Cb 0.01 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.34 3jxs s ALA 94 CO 0.10 -0.20 1.68 1.49 0.00 0.00 0.00 175.76 178.83 3jxs h GLU 95 N 3.37 0.98 -6.44 0.00 4.57 -1.39 -3.34 114.58 112.33 3jxs h GLU 95 Ca -0.35 -0.25 -0.63 0.00 -1.18 0.00 0.00 59.36 56.95 3jxs h GLU 95 Cb 1.17 -0.12 -0.17 0.00 -0.16 0.00 0.00 28.75 29.47 3jxs h GLU 95 CO 0.59 0.91 -0.80 -0.65 -1.18 0.00 0.00 179.01 177.88 3jxs s GLN 96 N -5.27 1.57 0.71 1.92 -1.52 -1.26 -4.92 119.66 110.89 3jxs s GLN 96 Ca -0.12 -1.61 -0.11 0.00 -1.95 0.00 0.00 55.36 51.56 3jxs s GLN 96 Cb 0.13 -1.80 0.02 0.00 -0.22 0.00 0.00 33.01 31.14 3jxs s GLN 96 CO 0.83 0.37 1.07 -0.51 -0.25 0.00 0.00 175.29 176.80 3jxs s ASP 97 N -2.99 5.08 0.00 5.90 1.01 -1.26 -4.16 116.67 120.25 3jxs s ASP 97 Ca 0.24 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.23 3jxs s ASP 97 Cb -0.07 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3jxs s ASP 97 CO 0.12 -1.64 0.00 0.61 0.21 0.00 0.00 175.17 174.46 3jxs n GLY 98 N -1.53 0.84 3.81 0.21 0.00 -1.24 -5.05 105.19 102.23 3jxs n GLY 98 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3jxs n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxs s ALA 99 N -2.00 2.84 -0.03 4.61 0.00 -1.21 -4.68 121.76 121.29 3jxs s ALA 99 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3jxs s ALA 99 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3jxs s ALA 99 CO 0.00 -0.54 -0.07 0.08 0.00 0.00 0.00 175.76 175.23 3jxs s VAL 100 N -2.32 0.63 0.00 0.00 1.01 -1.26 -0.95 120.40 117.51 3jxs s VAL 100 Ca 0.64 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 3jxs s VAL 100 Cb -0.15 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3jxs s VAL 100 CO 0.30 0.21 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 3jxs s VAL 101 N 0.32 0.06 -0.11 2.92 1.01 -0.67 -4.75 120.40 119.19 3jxs s VAL 101 Ca -0.04 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3jxs s VAL 101 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 3jxs s VAL 101 CO 0.00 -0.27 -0.15 -0.44 0.00 0.00 0.00 175.10 174.24 3jxs s SER 102 N -0.84 3.89 -0.30 3.32 0.01 -1.03 -0.64 113.70 118.11 3jxs s SER 102 Ca -0.09 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 3jxs s SER 102 Cb -0.06 -1.39 0.02 0.00 0.21 0.00 0.00 66.02 64.80 3jxs s SER 102 CO -0.00 0.21 0.07 -0.36 0.41 0.00 0.00 173.24 173.57 3jxs s PHE 103 N 0.09 3.16 0.23 2.43 0.08 -0.08 -0.59 117.98 123.30 3jxs s PHE 103 Ca -0.06 -1.12 0.08 0.00 0.12 0.00 0.00 56.93 55.95 3jxs s PHE 103 Cb -0.15 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.01 3jxs s PHE 103 CO 0.05 -0.62 -0.14 0.95 -0.10 0.00 0.00 175.22 175.36 3jxs s THR 104 N 1.47 1.87 -0.00 0.64 -4.23 -0.41 -0.49 115.64 114.48 3jxs s THR 104 Ca 0.02 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 3jxs s THR 104 Cb -0.18 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.51 3jxs s THR 104 CO 0.02 -0.51 0.00 0.54 -0.54 0.00 0.00 174.62 174.13 3jxs s VAL 105 N -2.89 -0.01 0.21 2.29 0.11 -0.72 -2.62 120.40 116.78 3jxs s VAL 105 Ca 0.25 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.15 3jxs s VAL 105 Cb -0.01 -0.02 0.07 0.00 -1.53 0.00 0.00 36.38 34.89 3jxs s VAL 105 CO 0.09 0.01 0.91 0.61 -3.33 0.00 0.00 175.10 173.40 3jxs n GLY 106 N 3.25 0.73 3.89 6.54 0.00 -0.47 -0.35 105.19 118.77 3jxs n GLY 106 Ca -0.14 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 3jxs n GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jxs n ASN 107 N -1.30 2.34 0.10 1.61 0.23 -0.11 -1.20 115.26 116.94 3jxs n ASN 107 Ca -0.03 -2.67 0.09 0.00 -0.53 0.00 0.00 54.58 51.44 3jxs n ASN 107 Cb 0.54 -0.29 0.42 0.00 -2.08 0.00 0.00 39.78 38.37 3jxs n ASN 107 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3jxs n GLN 108 N -2.10 0.12 -0.02 -3.83 6.02 -1.26 -1.43 117.38 114.88 3jxs n GLN 108 Ca 0.10 0.44 0.13 0.00 -0.01 0.00 0.00 57.00 57.67 3jxs n GLN 108 Cb 0.61 -1.77 0.56 0.00 1.02 0.00 0.00 30.24 30.65 3jxs n GLN 108 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3jxs n SER 109 N -2.01 1.24 -1.64 1.08 7.64 -1.26 -4.92 113.62 113.75 3jxs n SER 109 Ca 0.01 -1.47 -0.16 0.00 1.01 0.00 0.00 58.87 58.27 3jxs n SER 109 Cb 0.15 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 3jxs n SER 109 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3jxs n HIS 110 N -0.02 -0.57 -3.52 1.43 8.25 -0.52 -5.02 115.22 115.25 3jxs n HIS 110 Ca 0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 3jxs n HIS 110 Cb 0.30 -3.10 -0.06 0.00 1.12 0.00 0.00 29.99 28.24 3jxs n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jxs s ASP 111 N -2.42 6.72 0.22 0.41 1.01 -1.26 -4.90 116.67 116.44 3jxs s ASP 111 Ca 0.00 0.85 -0.23 0.00 0.71 0.00 0.00 52.55 53.88 3jxs s ASP 111 Cb 0.00 -2.23 -0.08 0.00 1.01 0.00 0.00 42.92 41.62 3jxs s ASP 111 CO 0.00 0.28 0.79 -1.81 0.21 0.00 0.00 175.17 174.63 3jxs s ASP 112 N -0.73 7.24 -0.00 0.27 1.01 -1.26 -0.93 116.67 122.27 3jxs s ASP 112 Ca 0.22 1.59 0.05 0.00 0.71 0.00 0.00 52.55 55.12 3jxs s ASP 112 Cb -0.16 -2.48 -0.24 0.00 1.01 0.00 0.00 42.92 41.05 3jxs s ASP 112 CO 0.11 0.09 0.83 1.88 0.21 0.00 0.00 175.17 178.29 3jxs h TYR 113 N 3.73 0.18 -1.78 4.23 0.05 -1.05 -3.48 116.97 118.86 3jxs h TYR 113 Ca -0.47 -0.13 0.39 0.00 0.05 0.00 0.00 58.73 58.56 3jxs h TYR 113 Cb 1.20 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.84 3jxs h TYR 113 CO 0.63 1.19 0.98 0.20 -1.05 0.00 0.00 178.16 180.11 3jxs s GLY 114 N -5.01 -0.27 0.02 3.88 0.00 -1.16 -4.66 107.32 100.11 3jxs s GLY 114 Ca -0.06 0.34 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 3jxs s GLY 114 CO 0.83 4.77 0.99 1.09 0.00 0.00 0.00 173.10 180.78 3jxs s ARG 115 N -2.04 0.84 -0.33 2.90 1.70 -1.26 -1.76 118.95 119.00 3jxs s ARG 115 Ca 0.27 -0.38 -0.04 0.00 -0.47 0.00 0.00 55.73 55.11 3jxs s ARG 115 Cb 0.02 0.34 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 3jxs s ARG 115 CO -0.03 -0.38 0.06 -0.51 -1.08 0.00 0.00 175.30 173.36 3jxs s LEU 116 N -2.64 4.20 -0.05 -1.89 1.43 0.36 -5.00 118.68 115.09 3jxs s LEU 116 Ca 0.09 -1.30 -0.19 0.00 -1.03 0.00 0.00 54.13 51.70 3jxs s LEU 116 Cb -0.01 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3jxs s LEU 116 CO -0.04 -0.32 0.54 -2.28 0.23 0.00 0.00 176.35 174.48 3jxs s HIS 117 N 1.30 3.61 -1.37 0.29 2.46 -1.26 -0.90 115.29 119.42 3jxs s HIS 117 Ca -0.03 1.07 -0.10 0.00 0.47 0.00 0.00 55.06 56.47 3jxs s HIS 117 Cb -0.20 -2.57 0.01 0.00 -0.13 0.00 0.00 32.58 29.69 3jxs s HIS 117 CO 0.00 0.29 0.41 0.39 -2.47 0.00 0.00 174.74 173.36 3jxs n GLU 118 N 3.08 -1.77 -2.49 2.88 1.02 -1.23 -4.90 120.64 117.24 3jxs n GLU 118 Ca -0.07 0.26 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 3jxs n GLU 118 Cb 0.51 -3.84 -0.04 0.00 -0.02 0.00 0.00 31.44 28.05 3jxs n GLU 118 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3jxs s GLN 119 N -6.86 4.61 -0.09 3.49 -1.52 0.19 -4.78 119.66 114.71 3jxs s GLN 119 Ca 0.16 1.77 -0.30 0.00 -1.95 0.00 0.00 55.36 55.04 3jxs s GLN 119 Cb -0.08 -3.24 -0.02 0.00 -0.22 0.00 0.00 33.01 29.45 3jxs s GLN 119 CO 0.93 0.13 1.18 -0.65 -0.25 0.00 0.00 175.29 176.63 3jxs s GLN 120 N -0.84 4.33 -0.12 2.91 -1.52 -1.26 -1.67 119.66 121.50 3jxs s GLN 120 Ca 0.47 1.63 -0.02 0.00 -1.95 0.00 0.00 55.36 55.49 3jxs s GLN 120 Cb -0.31 -3.60 -0.03 0.00 -0.22 0.00 0.00 33.01 28.86 3jxs s GLN 120 CO 0.38 -0.49 -0.03 0.42 -0.25 0.00 0.00 175.29 175.32 3jxs s ILE 121 N 2.47 3.99 0.37 1.08 -1.09 -0.13 -5.00 121.20 122.89 3jxs s ILE 121 Ca 0.54 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.65 3jxs s ILE 121 Cb -0.23 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.98 3jxs s ILE 121 CO 0.19 0.54 0.27 0.35 -1.23 0.00 0.00 174.94 175.06 3jxs n THR 122 N 2.91 0.00 1.59 2.92 -2.24 -1.26 -3.35 114.28 114.84 3jxs n THR 122 Ca -0.18 -1.50 0.15 0.00 -2.27 0.00 0.00 64.05 60.25 3jxs n THR 122 Cb 0.53 -0.15 0.73 0.00 -2.10 0.00 0.00 70.33 69.34 3jxs n THR 122 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3jxs n THR 123 N -1.35 0.00 -4.22 4.28 -2.24 -1.25 -0.54 114.28 108.95 3jxs n THR 123 Ca -0.02 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 3jxs n THR 123 Cb 0.43 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 3jxs n THR 123 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3jxs s GLU 124 N -2.32 2.88 0.12 -0.78 0.41 -1.26 -4.63 118.70 113.13 3jxs s GLU 124 Ca 0.35 -0.57 -0.35 0.00 -0.41 0.00 0.00 54.97 53.99 3jxs s GLU 124 Cb 0.21 -2.73 -0.15 0.00 -1.78 0.00 0.00 34.13 29.67 3jxs s GLU 124 CO 0.43 0.63 1.46 0.91 -0.49 0.00 0.00 175.26 178.20 3jxs n TRP 125 N 1.33 1.90 -4.08 1.61 7.02 -1.26 -4.56 117.44 119.40 3jxs n TRP 125 Ca -0.14 0.45 -0.14 0.00 -1.02 0.00 0.00 57.50 56.65 3jxs n TRP 125 Cb 0.53 -2.44 -0.12 0.00 -2.42 0.00 0.00 31.31 26.86 3jxs n TRP 125 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3jxs s GLN 126 N 0.70 0.55 0.07 -0.99 -0.21 -0.84 -4.95 119.66 113.98 3jxs s GLN 126 Ca 0.81 -0.72 -0.20 0.00 0.02 0.00 0.00 55.36 55.27 3jxs s GLN 126 Cb -0.81 -0.35 -0.07 0.00 1.00 0.00 0.00 33.01 32.78 3jxs s GLN 126 CO 0.42 0.07 0.59 -1.25 -2.12 0.00 0.00 175.29 173.00 3jxs s PRO 127 N -1.46 4.24 -0.13 2.91 0.04 -1.26 -1.52 135.00 137.83 3jxs s PRO 127 Ca -0.08 0.77 0.01 0.00 0.04 0.00 0.00 61.00 61.74 3jxs s PRO 127 Cb -0.09 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.21 3jxs s PRO 127 CO 0.00 0.60 -0.15 -0.06 0.04 0.00 0.00 177.00 177.44 3jxs s PHE 128 N -0.99 2.07 0.00 0.56 0.08 -0.02 -5.00 117.98 114.68 3jxs s PHE 128 Ca 0.30 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 56.29 3jxs s PHE 128 Cb -0.20 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.75 3jxs s PHE 128 CO 0.19 -0.56 -0.01 -0.08 -0.10 0.00 0.00 175.22 174.67 3jxs s THR 129 N 1.20 0.03 0.16 0.64 -1.32 -1.26 -1.39 115.64 113.70 3jxs s THR 129 Ca -0.02 -0.17 -0.19 0.00 -1.21 0.00 0.00 61.69 60.10 3jxs s THR 129 Cb -0.14 -0.06 0.05 0.00 -1.51 0.00 0.00 72.50 70.83 3jxs s THR 129 CO -0.05 -0.09 0.52 0.72 -2.21 0.00 0.00 174.62 173.51 3jxs s PHE 130 N -0.27 -0.31 0.05 9.09 -0.12 -0.33 -5.01 117.98 121.09 3jxs s PHE 130 Ca -0.03 0.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.89 3jxs s PHE 130 Cb -0.02 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 3jxs s PHE 130 CO -0.00 -0.84 0.05 -1.21 -0.05 0.00 0.00 175.22 173.17 3jxs s GLU 131 N -3.81 2.84 0.04 1.99 2.02 -1.26 0.19 118.70 120.70 3jxs s GLU 131 Ca 0.04 -0.66 -0.13 0.00 0.02 0.00 0.00 54.97 54.24 3jxs s GLU 131 Cb -0.00 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.54 3jxs s GLU 131 CO -0.09 0.59 0.28 -0.59 0.02 0.00 0.00 175.26 175.47 3jxs s PHE 132 N -1.27 -0.08 -0.07 1.61 -0.12 -0.09 -4.93 117.98 113.03 3jxs s PHE 132 Ca 0.25 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.11 3jxs s PHE 132 Cb -0.12 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 3jxs s PHE 132 CO 0.17 -0.48 -0.16 0.99 -0.05 0.00 0.00 175.22 175.69 3jxs s THR 133 N -2.44 2.82 -0.85 -4.49 2.01 -1.26 -0.23 115.64 111.20 3jxs s THR 133 Ca -0.06 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 60.90 3jxs s THR 133 Cb -0.01 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.39 3jxs s THR 133 CO -0.03 0.57 1.61 -0.69 -0.69 0.00 0.00 174.62 175.39 3jxs s VAL 134 N -0.29 3.65 -1.67 3.82 1.01 -0.18 -4.81 120.40 121.92 3jxs s VAL 134 Ca 0.02 -0.21 0.13 0.00 0.00 0.00 0.00 61.98 61.92 3jxs s VAL 134 Cb -0.13 -4.55 0.44 0.00 0.00 0.00 0.00 36.38 32.14 3jxs s VAL 134 CO 0.03 -1.48 1.33 -1.54 0.00 0.00 0.00 175.10 173.44 3jxs n SER 135 N 11.01 2.85 -0.91 3.32 3.41 -1.26 -0.28 113.62 131.76 3jxs n SER 135 Ca 0.25 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3jxs n SER 135 Cb 0.50 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3jxs n SER 135 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jxs n ASP 136 N 0.77 0.47 -1.74 4.04 5.68 -1.26 -5.00 116.55 119.51 3jxs n ASP 136 Ca 0.16 -0.74 0.05 0.00 -0.50 0.00 0.00 54.79 53.77 3jxs n ASP 136 Cb 0.50 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.83 3jxs n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jxs n GLN 137 N 0.00 4.38 -2.56 0.11 1.13 -1.26 -4.31 117.38 114.87 3jxs n GLN 137 Ca 0.00 -2.77 -0.37 0.00 -1.94 0.00 0.00 57.00 51.92 3jxs n GLN 137 Cb 0.00 -2.18 -0.04 0.00 0.11 0.00 0.00 30.24 28.13 3jxs n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3jxs s GLU 138 N -2.56 4.31 -0.00 -1.09 0.41 -1.26 -4.81 118.70 113.70 3jxs s GLU 138 Ca 0.48 1.55 0.05 0.00 -0.41 0.00 0.00 54.97 56.63 3jxs s GLU 138 Cb 0.37 -2.71 -0.06 0.00 -1.78 0.00 0.00 34.13 29.94 3jxs s GLU 138 CO 0.14 -0.02 0.13 0.25 -0.49 0.00 0.00 175.26 175.28 3jxs n THR 139 N 0.27 0.00 -3.94 3.63 -2.24 -1.26 -3.71 114.28 107.03 3jxs n THR 139 Ca 0.03 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 3jxs n THR 139 Cb 0.49 0.60 -0.15 0.00 -2.10 0.00 0.00 70.33 69.16 3jxs n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jxs s VAL 140 N -2.02 1.58 0.03 2.28 1.01 -1.26 -0.74 120.40 121.28 3jxs s VAL 140 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.63 3jxs s VAL 140 Cb 0.03 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 3jxs s VAL 140 CO 0.19 -0.18 0.00 2.30 0.00 0.00 0.00 175.10 177.42 3jxs n ILE 141 N 4.64 0.00 -3.91 2.22 -5.35 0.10 -4.60 119.36 112.46 3jxs n ILE 141 Ca -0.10 -0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.15 3jxs n ILE 141 Cb 0.44 0.03 -0.08 0.00 -1.74 0.00 0.00 39.64 38.28 3jxs n ILE 141 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jxs s ARG 142 N -2.11 0.72 -0.52 6.28 3.03 -0.34 -1.67 118.95 124.35 3jxs s ARG 142 Ca 0.00 -0.90 0.04 0.00 2.03 0.00 0.00 55.73 56.89 3jxs s ARG 142 Cb 0.00 0.29 0.16 0.00 -1.03 0.00 0.00 34.95 34.36 3jxs s ARG 142 CO 0.00 -0.20 0.35 0.00 -1.13 0.00 0.00 175.30 174.32 3jxs s ALA 143 N -3.38 2.45 0.04 7.88 0.00 -0.20 -1.36 121.76 127.19 3jxs s ALA 143 Ca 0.01 -2.95 -0.30 0.00 0.00 0.00 0.00 51.96 48.72 3jxs s ALA 143 Cb 0.03 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 3jxs s ALA 143 CO -0.08 -2.05 1.22 -2.14 0.00 0.00 0.00 175.76 172.71 3jxs s PRO 144 N -0.32 4.40 -0.21 0.00 0.02 -1.08 -1.85 135.00 135.97 3jxs s PRO 144 Ca 0.25 1.78 -0.07 0.00 0.02 0.00 0.00 61.00 62.97 3jxs s PRO 144 Cb -0.09 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 3jxs s PRO 144 CO -0.11 -0.32 0.07 0.42 -0.33 0.00 0.00 177.00 176.72 3jxs s ILE 145 N 1.38 4.65 -0.22 2.83 1.01 0.10 -1.28 121.20 129.66 3jxs s ILE 145 Ca 0.59 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 61.05 3jxs s ILE 145 Cb -0.29 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 3jxs s ILE 145 CO 0.28 0.41 0.21 -1.00 0.00 0.00 0.00 174.94 174.84 3jxs s HIS 146 N 0.84 3.35 -0.63 3.97 3.76 0.24 -1.74 115.29 125.08 3jxs s HIS 146 Ca 0.04 0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.34 3jxs s HIS 146 Cb -0.14 -2.31 0.02 0.00 1.11 0.00 0.00 32.58 31.27 3jxs s HIS 146 CO 0.02 0.09 0.58 1.19 -0.85 0.00 0.00 174.74 175.77 3jxs n PHE 147 N 4.17 0.00 -1.11 1.40 3.72 -0.14 -2.47 117.46 123.02 3jxs n PHE 147 Ca -0.14 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.09 3jxs n PHE 147 Cb 0.52 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.92 3jxs n PHE 147 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jxs n GLY 148 N 0.53 3.35 3.81 1.37 0.00 0.02 -4.82 105.19 109.45 3jxs n GLY 148 Ca 0.03 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 3jxs n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jxs s PHE 149 N 0.76 3.38 0.45 1.61 0.40 -1.26 -4.36 117.98 118.96 3jxs s PHE 149 Ca 0.66 0.31 0.11 0.00 -0.60 0.00 0.00 56.93 57.40 3jxs s PHE 149 Cb 0.31 -1.81 1.03 0.00 0.51 0.00 0.00 43.02 43.06 3jxs s PHE 149 CO -0.04 0.60 2.09 0.00 0.70 0.00 0.00 175.22 178.57 3jxs h ALA 150 N 4.42 1.84 -0.36 5.36 0.00 -1.97 -0.76 119.26 127.78 3jxs h ALA 150 Ca -0.51 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.49 3jxs h ALA 150 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3jxs h ALA 150 CO 0.61 0.15 0.31 0.00 0.00 0.00 0.00 179.25 180.32 3jxs h ALA 151 N 1.84 2.16 -0.00 0.00 0.00 -1.94 -2.38 119.26 118.94 3jxs h ALA 151 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3jxs h ALA 151 Cb -0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3jxs h ALA 151 CO -0.02 -0.50 -0.31 0.09 0.00 0.00 0.00 179.25 178.51 3jxs n ASN 152 N -4.06 0.36 -4.69 0.00 3.02 -0.29 -4.61 115.26 105.00 3jxs n ASN 152 Ca 0.06 -0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.12 3jxs n ASN 152 Cb 0.49 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 3jxs n ASN 152 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jxs s VAL 153 N -2.94 2.65 0.00 2.41 1.01 -0.90 -1.00 120.40 121.64 3jxs s VAL 153 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3jxs s VAL 153 Cb 0.18 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3jxs s VAL 153 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3jxs n GLY 154 N 4.15 0.80 3.74 4.51 0.00 0.03 -5.01 105.19 113.41 3jxs n GLY 154 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3jxs n GLY 154 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jxs s ASN 155 N -2.99 4.88 -0.10 1.61 3.84 -0.17 -4.98 114.94 117.02 3jxs s ASN 155 Ca 0.00 -0.61 0.03 0.00 0.21 0.00 0.00 52.86 52.49 3jxs s ASN 155 Cb 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 41.25 39.80 3jxs s ASN 155 CO 0.00 -0.18 -0.21 -0.89 -2.79 0.00 0.00 177.10 173.02 3jxs s THR 156 N -2.33 1.90 -0.09 -5.21 2.01 -1.26 -2.01 115.64 108.65 3jxs s THR 156 Ca 0.36 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 3jxs s THR 156 Cb -0.05 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3jxs s THR 156 CO 0.23 0.52 0.00 -0.63 -0.69 0.00 0.00 174.62 174.05 3jxs s ILE 157 N 0.54 4.30 -0.09 1.82 1.09 0.24 -1.04 121.20 128.05 3jxs s ILE 157 Ca -0.15 -0.25 0.03 0.00 -1.10 0.00 0.00 60.65 59.18 3jxs s ILE 157 Cb -0.17 -2.81 -0.01 0.00 -1.06 0.00 0.00 42.46 38.41 3jxs s ILE 157 CO 0.05 0.60 -0.18 -0.31 -0.10 0.00 0.00 174.94 175.00 3jxs s TYR 158 N -0.80 2.65 0.08 3.97 2.02 0.71 -0.11 117.35 125.88 3jxs s TYR 158 Ca 0.12 -0.64 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 3jxs s TYR 158 Cb -0.11 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3jxs s TYR 158 CO 0.02 -0.17 -0.18 0.96 -1.57 0.00 0.00 175.55 174.61 3jxs s ILE 159 N 0.01 1.46 0.19 2.71 -4.36 -0.34 -1.41 121.20 119.45 3jxs s ILE 159 Ca -0.06 -1.39 -0.22 0.00 -0.26 0.00 0.00 60.65 58.72 3jxs s ILE 159 Cb -0.15 -1.34 0.05 0.00 1.25 0.00 0.00 42.46 42.28 3jxs s ILE 159 CO 0.05 -0.09 0.62 -0.62 0.24 0.00 0.00 174.94 175.14 3jxs s ASP 160 N -1.72 -0.46 -0.68 4.36 2.15 -0.56 -1.84 116.67 117.91 3jxs s ASP 160 Ca 0.03 -0.19 -0.02 0.00 0.43 0.00 0.00 52.55 52.80 3jxs s ASP 160 Cb -0.10 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.15 3jxs s ASP 160 CO 0.03 -1.07 0.28 0.61 -0.17 0.00 0.00 175.17 174.85 3jxs n GLY 161 N -0.39 0.16 3.67 2.66 0.00 -1.17 -0.72 105.19 109.40 3jxs n GLY 161 Ca -0.13 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3jxs n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jxs s LEU 162 N -3.25 4.29 -0.08 0.99 2.96 -0.40 -4.17 118.68 119.01 3jxs s LEU 162 Ca 0.14 2.05 -0.00 0.00 -0.22 0.00 0.00 54.13 56.09 3jxs s LEU 162 Cb -0.06 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.10 3jxs s LEU 162 CO 0.17 -0.78 -0.05 0.00 -1.32 0.00 0.00 176.35 174.37 3jxs s ALA 163 N 3.10 0.99 -0.33 5.97 0.00 0.65 -4.33 121.76 127.80 3jxs s ALA 163 Ca 0.64 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 3jxs s ALA 163 Cb -0.30 -0.71 0.06 0.00 0.00 0.00 0.00 23.12 22.17 3jxs s ALA 163 CO 0.24 -0.28 0.06 0.42 0.00 0.00 0.00 175.76 176.21 3jxs s ILE 164 N 1.50 3.18 0.03 0.00 1.01 -1.26 -1.27 121.20 124.39 3jxs s ILE 164 Ca -0.01 -1.51 0.03 0.00 0.00 0.00 0.00 60.65 59.16 3jxs s ILE 164 Cb -0.13 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 3jxs s ILE 164 CO -0.04 -0.26 -0.09 0.68 0.00 0.00 0.00 174.94 175.23 3jxs s VAL 165 N 1.25 0.65 -1.39 2.92 -7.23 -0.15 -0.57 120.40 115.88 3jxs s VAL 165 Ca -0.01 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 3jxs s VAL 165 Cb -0.20 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.09 3jxs s VAL 165 CO -0.01 -0.16 0.35 -0.67 -0.31 0.00 0.00 175.10 174.30