#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 4.06 0.22 -0.89 1.43 -1.26 -5.03 118.68 117.21 3jxs s LEU 2 Ca 0.00 0.74 0.11 0.00 -1.03 0.00 0.00 54.13 53.95 3jxs s LEU 2 Cb 0.00 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 3jxs s LEU 2 CO 0.00 -0.67 -0.21 0.68 0.23 0.00 0.00 176.35 176.37 3jxs s VAL 3 N 3.11 2.46 -0.00 -1.59 -7.23 -1.26 -4.62 120.40 111.27 3jxs s VAL 3 Ca 0.35 -2.13 0.15 0.00 -1.81 0.00 0.00 61.98 58.54 3jxs s VAL 3 Cb -0.14 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.62 3jxs s VAL 3 CO 0.13 -0.21 1.51 0.00 -0.31 0.00 0.00 175.10 176.21 3jxs h ALA 4 N 2.86 0.72 -1.66 1.32 0.00 -0.87 -3.47 119.26 118.16 3jxs h ALA 4 Ca -0.44 -0.50 -0.46 0.00 0.00 0.00 0.00 54.91 53.50 3jxs h ALA 4 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3jxs h ALA 4 CO 0.52 0.69 -0.35 0.54 0.00 0.00 0.00 179.25 180.65 3jxs s ASN 5 N -6.51 5.54 -0.07 0.00 4.22 -1.26 -0.94 114.94 115.93 3jxs s ASN 5 Ca 0.02 -0.43 0.04 0.00 -2.14 0.00 0.00 52.86 50.35 3jxs s ASN 5 Cb 0.09 -0.89 -0.02 0.00 1.28 0.00 0.00 41.25 41.71 3jxs s ASN 5 CO 0.74 -0.54 -0.18 -0.63 -2.04 0.00 0.00 177.10 174.44 3jxs s ILE 6 N -2.31 2.65 -1.49 0.54 -1.09 -1.26 -4.70 121.20 113.54 3jxs s ILE 6 Ca 0.47 -0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 57.93 3jxs s ILE 6 Cb -0.07 -2.03 0.07 0.00 -1.58 0.00 0.00 42.46 38.85 3jxs s ILE 6 CO 0.30 0.57 0.94 -3.20 -1.23 0.00 0.00 174.94 172.32 3jxs n ASN 7 N 2.84 -4.26 0.23 3.58 5.15 -1.26 -4.44 115.26 117.09 3jxs n ASN 7 Ca -0.17 -0.78 0.16 0.00 -0.60 0.00 0.00 54.58 53.19 3jxs n ASN 7 Cb 0.52 -3.95 0.76 0.00 -0.53 0.00 0.00 39.78 36.58 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 -2.08 0.00 -0.53 8.20 0.00 -1.84 -2.14 103.07 104.68 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 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 3jxs n GLY 9 N -0.60 3.15 2.39 4.60 0.00 -1.26 -1.04 105.19 112.44 3jxs n GLY 9 Ca -0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.24 0.00 0.42 1.61 3.72 -0.81 -4.52 117.46 117.64 3jxs n PHE 10 Ca 0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 3jxs n PHE 10 Cb 0.38 -2.32 0.42 0.00 -0.94 0.00 0.00 39.48 37.02 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 0.02 0.00 -0.09 -1.08 4.39 -1.88 -2.59 114.58 113.35 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 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3jxs h GLU 11 CO 0.38 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.66 3jxs n SER 12 N -2.58 1.74 -4.51 1.42 7.64 -1.26 -4.89 113.62 111.18 3jxs n SER 12 Ca 0.04 -1.63 -0.34 0.00 1.01 0.00 0.00 58.87 57.94 3jxs n SER 12 Cb 0.38 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.89 4.02 0.52 0.44 2.01 -0.98 -4.94 115.64 114.83 3jxs s THR 13 Ca 0.35 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.82 3jxs s THR 13 Cb 0.20 -2.78 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 3jxs s THR 13 CO 0.30 0.48 1.32 -2.16 -0.69 0.00 0.00 174.62 173.88 3jxs s PRO 14 N 0.42 3.30 0.49 4.92 0.04 -1.26 -4.96 135.00 137.95 3jxs s PRO 14 Ca -0.03 2.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.93 3jxs s PRO 14 Cb -0.14 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 3jxs s PRO 14 CO 0.02 -1.04 1.36 0.00 0.04 0.00 0.00 177.00 177.39 3jxs s ALA 15 N -1.35 3.02 0.00 8.56 0.00 -1.26 -4.71 121.76 126.01 3jxs s ALA 15 Ca 0.69 1.34 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3jxs s ALA 15 Cb -0.38 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3jxs s ALA 15 CO 0.45 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.41 3jxs n GLY 16 N 0.65 2.73 3.72 0.00 0.00 0.55 -4.96 105.19 107.89 3jxs n GLY 16 Ca 0.08 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.82 3.03 -0.17 1.61 1.01 -1.26 -1.51 120.40 121.30 3jxs s VAL 17 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 3jxs s VAL 17 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3jxs s VAL 17 CO 0.00 0.08 1.22 -0.69 0.00 0.00 0.00 175.10 175.71 3jxs s VAL 18 N 0.82 4.35 -0.24 2.92 1.01 -0.02 -4.91 120.40 124.33 3jxs s VAL 18 Ca 0.64 1.63 0.18 0.00 0.00 0.00 0.00 61.98 64.43 3jxs s VAL 18 Cb -0.39 -4.05 -0.26 0.00 0.00 0.00 0.00 36.38 31.68 3jxs s VAL 18 CO 0.33 -0.13 0.49 0.35 0.00 0.00 0.00 175.10 176.14 3jxs n THR 19 N 5.31 0.00 -3.70 3.92 -2.24 -1.26 -4.75 114.28 111.55 3jxs n THR 19 Ca 0.13 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 3jxs n THR 19 Cb 0.45 0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 -3.74 5.38 0.27 3.42 -1.08 -1.26 -4.96 116.67 114.71 3jxs s ASP 20 Ca -0.03 -2.27 0.03 0.00 -0.52 0.00 0.00 52.55 49.76 3jxs s ASP 20 Cb 0.12 -1.88 0.39 0.00 -1.46 0.00 0.00 42.92 40.09 3jxs s ASP 20 CO 0.75 -0.52 1.70 -0.07 0.52 0.00 0.00 175.17 177.54 3jxs h LEU 21 N 7.82 0.45 0.01 -1.34 3.38 -1.86 0.27 115.31 124.05 3jxs h LEU 21 Ca -0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3jxs h LEU 21 Cb 1.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3jxs h LEU 21 CO 0.74 0.75 -0.00 0.00 0.09 0.00 0.00 178.44 180.01 3jxs h ALA 22 N 1.29 -0.01 0.00 1.53 0.00 -1.90 -1.42 119.26 118.75 3jxs h ALA 22 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3jxs h ALA 22 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3jxs h ALA 22 CO 0.06 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.39 3jxs n GLU 23 N -4.90 -0.27 0.29 0.00 1.02 -1.22 -4.44 120.64 111.12 3jxs n GLU 23 Ca -0.08 -0.49 0.18 0.00 -0.02 0.00 0.00 57.16 56.75 3jxs n GLU 23 Cb 0.21 -0.86 0.86 0.00 -0.02 0.00 0.00 31.44 31.64 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 -7.73 0.62 0.00 -0.66 -3.36 103.07 91.94 3jxs h GLY 24 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3jxs h GLY 24 CO 0.00 0.00 -0.71 0.14 0.00 0.00 0.00 176.54 175.97 3jxs s VAL 25 N -3.93 2.62 0.13 4.60 1.01 -1.26 -4.90 120.40 118.67 3jxs s VAL 25 Ca -0.02 -1.83 -0.35 0.00 0.00 0.00 0.00 61.98 59.79 3jxs s VAL 25 Cb 0.11 -2.68 -0.16 0.00 0.00 0.00 0.00 36.38 33.65 3jxs s VAL 25 CO 0.51 -0.32 1.22 1.21 0.00 0.00 0.00 175.10 177.72 3jxs n GLU 26 N 4.46 1.10 -0.59 2.72 2.13 -1.26 -1.86 120.64 127.35 3jxs n GLU 26 Ca -0.07 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.14 3jxs n GLU 26 Cb 0.42 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.19 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 2.20 1.22 3.07 8.31 0.00 -1.26 -4.58 105.19 114.14 3jxs n GLY 27 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.36 0.69 -0.18 1.61 0.52 -0.78 -1.13 118.94 116.32 3jxs s TRP 28 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 56.10 55.62 3jxs s TRP 28 Cb 0.00 -0.41 0.02 0.00 -1.15 0.00 0.00 33.47 31.93 3jxs s TRP 28 CO 0.00 -0.08 -0.19 -0.51 0.02 0.00 0.00 176.95 176.19 3jxs s ASP 29 N -1.63 3.21 -0.00 2.95 1.01 0.69 -4.64 116.67 118.26 3jxs s ASP 29 Ca -0.09 -0.70 0.00 0.00 0.71 0.00 0.00 52.55 52.47 3jxs s ASP 29 Cb -0.10 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 3jxs s ASP 29 CO 0.00 -0.02 0.05 -0.76 0.21 0.00 0.00 175.17 174.65 3jxs s LEU 30 N 1.29 3.74 0.13 1.23 1.43 -0.53 -0.38 118.68 125.59 3jxs s LEU 30 Ca 0.04 0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 3jxs s LEU 30 Cb -0.14 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 43.99 3jxs s LEU 30 CO -0.12 0.28 0.57 0.21 0.23 0.00 0.00 176.35 177.52 3jxs s ASN 31 N -1.65 -0.52 -0.06 2.29 3.84 -0.91 -4.08 114.94 113.86 3jxs s ASN 31 Ca 0.21 0.01 0.02 0.00 0.21 0.00 0.00 52.86 53.31 3jxs s ASN 31 Cb -0.12 0.57 0.02 0.00 -0.55 0.00 0.00 41.25 41.17 3jxs s ASN 31 CO 0.12 -0.91 -0.09 -0.69 -2.79 0.00 0.00 177.10 172.74 3jxs s VAL 32 N -3.51 0.87 0.68 -5.21 1.01 -1.26 -2.39 120.40 110.59 3jxs s VAL 32 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 3jxs s VAL 32 Cb -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.56 3jxs s VAL 32 CO -0.11 0.30 1.15 -0.83 0.00 0.00 0.00 175.10 175.61 3jxs s GLY 33 N 0.77 2.26 0.57 4.51 0.00 0.28 -4.93 107.32 110.78 3jxs s GLY 33 Ca -0.13 0.70 0.29 0.00 0.00 0.00 0.00 44.72 45.58 3jxs s GLY 33 CO 0.02 1.08 2.21 1.48 0.00 0.00 0.00 173.10 177.89 3jxs h SER 34 N -0.05 0.00 -0.06 1.64 4.64 -2.01 -2.72 113.55 114.98 3jxs h SER 34 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3jxs h SER 34 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3jxs h SER 34 CO 0.52 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 3jxs n SER 35 N -3.79 1.89 -4.69 4.97 3.41 -1.26 -4.81 113.62 109.34 3jxs n SER 35 Ca -0.03 -1.65 -0.42 0.00 -0.26 0.00 0.00 58.87 56.52 3jxs n SER 35 Cb 0.12 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.94 4.85 -0.12 -3.33 1.01 -1.03 -4.47 120.40 115.37 3jxs s VAL 36 Ca 0.35 1.89 0.11 0.00 0.00 0.00 0.00 61.98 64.34 3jxs s VAL 36 Cb 0.20 -4.25 -0.24 0.00 0.00 0.00 0.00 36.38 32.10 3jxs s VAL 36 CO 0.31 0.06 0.35 0.41 0.00 0.00 0.00 175.10 176.24 3jxs n THR 37 N 4.39 1.54 -3.95 3.92 -1.04 -1.26 -4.74 114.28 113.15 3jxs n THR 37 Ca 0.06 -0.78 -0.34 0.00 -2.04 0.00 0.00 64.05 60.95 3jxs n THR 37 Cb 0.49 -0.95 -0.14 0.00 -1.82 0.00 0.00 70.33 67.92 3jxs n THR 37 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3jxs s ASN 38 N -6.02 4.80 0.57 8.00 -0.87 -1.26 -5.09 114.94 115.07 3jxs s ASN 38 Ca -0.11 -1.40 -0.15 0.00 -1.57 0.00 0.00 52.86 49.63 3jxs s ASN 38 Cb 0.07 -1.67 -0.05 0.00 -0.02 0.00 0.00 41.25 39.58 3jxs s ASN 38 CO 0.80 -0.27 1.02 -2.16 -2.57 0.00 0.00 177.10 173.93 3jxs s PRO 39 N 1.19 3.59 0.92 -0.60 0.04 -1.26 -3.79 135.00 135.09 3jxs s PRO 39 Ca -0.04 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 3jxs s PRO 39 Cb -0.20 -2.08 0.14 0.00 0.04 0.00 0.00 34.50 32.40 3jxs s PRO 39 CO -0.03 -0.58 1.14 -1.25 0.04 0.00 0.00 177.00 176.33 3jxs s PRO 40 N -4.32 1.08 -0.21 0.56 0.04 -1.26 -4.53 135.00 126.36 3jxs s PRO 40 Ca 0.60 0.25 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 3jxs s PRO 40 Cb -0.12 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.59 3jxs s PRO 40 CO 0.39 -2.23 -0.11 0.08 0.04 0.00 0.00 177.00 175.17 3jxs s VAL 41 N -3.30 2.78 -0.22 -0.36 1.01 -0.59 -4.98 120.40 114.74 3jxs s VAL 41 Ca 0.64 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3jxs s VAL 41 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3jxs s VAL 41 CO 0.53 0.44 0.11 -0.36 0.00 0.00 0.00 175.10 175.82 3jxs s PHE 42 N 1.38 3.27 -0.04 5.22 0.08 -1.26 -0.86 117.98 125.77 3jxs s PHE 42 Ca 0.05 0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.17 3jxs s PHE 42 Cb -0.14 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.16 3jxs s PHE 42 CO -0.07 0.06 0.08 -2.00 -0.10 0.00 0.00 175.22 173.18 3jxs s GLU 43 N 0.82 0.00 -0.18 0.44 2.12 -0.27 -0.84 118.70 120.79 3jxs s GLU 43 Ca 0.06 0.29 -0.27 0.00 0.36 0.00 0.00 54.97 55.40 3jxs s GLU 43 Cb -0.13 -0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.00 3jxs s GLU 43 CO 0.02 -0.19 0.93 0.08 -0.54 0.00 0.00 175.26 175.56 3jxs s VAL 44 N 1.27 4.80 -0.07 3.70 1.01 -0.57 -0.52 120.40 130.02 3jxs s VAL 44 Ca -0.07 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.74 3jxs s VAL 44 Cb -0.12 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 3jxs s VAL 44 CO -0.04 -0.05 -0.07 -0.76 0.00 0.00 0.00 175.10 174.19 3jxs s LEU 45 N 2.50 3.18 -0.22 3.92 1.43 -0.34 -0.33 118.68 128.83 3jxs s LEU 45 Ca 0.42 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 3jxs s LEU 45 Cb -0.16 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3jxs s LEU 45 CO 0.11 0.35 0.20 -0.70 0.23 0.00 0.00 176.35 176.54 3jxs s GLU 46 N -0.76 4.14 -0.19 1.70 2.12 -1.26 -1.63 118.70 122.81 3jxs s GLU 46 Ca 0.12 -0.15 -0.17 0.00 0.36 0.00 0.00 54.97 55.12 3jxs s GLU 46 Cb -0.11 -3.50 0.05 0.00 0.26 0.00 0.00 34.13 30.83 3jxs s GLU 46 CO 0.02 0.13 0.52 -0.08 -0.54 0.00 0.00 175.26 175.30 3jxs s THR 47 N 0.85 -0.00 -0.45 -1.70 -1.32 -0.30 -5.00 115.64 107.72 3jxs s THR 47 Ca 0.10 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.82 3jxs s THR 47 Cb -0.13 -0.72 0.25 0.00 -1.51 0.00 0.00 72.50 70.39 3jxs s THR 47 CO 0.03 0.00 1.71 -1.54 -2.21 0.00 0.00 174.62 172.62 3jxs n SER 48 N 2.91 0.68 -0.58 8.08 3.41 -1.26 -2.82 113.62 124.03 3jxs n SER 48 Ca -0.14 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 3jxs n SER 48 Cb 0.56 -0.82 0.29 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.26 1.73 -4.77 4.04 2.03 -1.26 -4.95 116.55 111.11 3jxs n ASP 49 Ca 0.02 -1.82 -0.41 0.00 0.52 0.00 0.00 54.79 53.10 3jxs n ASP 49 Cb 0.22 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.44 3jxs n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3jxs s ALA 50 N -1.69 3.50 0.49 -1.67 0.00 -1.13 -4.90 121.76 116.37 3jxs s ALA 50 Ca 0.29 1.24 0.17 0.00 0.00 0.00 0.00 51.96 53.66 3jxs s ALA 50 Cb 0.15 -3.48 1.22 0.00 0.00 0.00 0.00 23.12 21.01 3jxs s ALA 50 CO 0.22 -0.61 2.06 -1.35 0.00 0.00 0.00 175.76 176.08 3jxs h PRO 51 N 3.64 0.14 -3.40 0.00 0.11 -1.92 -3.42 132.00 127.14 3jxs h PRO 51 Ca -0.48 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.36 3jxs h PRO 51 Cb 1.22 -0.03 -0.32 0.00 0.11 0.00 0.00 31.00 31.98 3jxs h PRO 51 CO 0.67 0.09 -0.65 -2.00 -0.21 0.00 0.00 178.00 175.90 3jxs s GLU 52 N -5.16 0.04 5.18 1.05 -6.30 -1.26 -5.06 118.70 107.19 3jxs s GLU 52 Ca -0.06 0.26 0.00 0.00 -2.50 0.00 0.00 54.97 52.67 3jxs s GLU 52 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 34.13 34.14 3jxs s GLU 52 CO 0.71 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.26 3jxs n GLY 53 N 4.03 2.13 0.09 -1.50 0.00 -1.26 -3.92 105.19 104.76 3jxs n GLY 53 Ca -0.25 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 0.17 1.22 -4.36 1.61 0.23 -1.26 -4.63 115.26 108.24 3jxs n ASN 54 Ca 0.00 -1.94 -0.30 0.00 -0.53 0.00 0.00 54.58 51.81 3jxs n ASN 54 Cb 0.00 -0.11 -0.14 0.00 -2.08 0.00 0.00 39.78 37.44 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 -0.95 1.84 0.12 -3.83 -0.14 -1.25 -1.14 119.74 114.39 3jxs s LYS 55 Ca 0.06 -1.09 0.03 0.00 -1.36 0.00 0.00 55.97 53.61 3jxs s LYS 55 Cb 0.06 -2.01 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 3jxs s LYS 55 CO 0.01 0.52 -0.08 0.14 -0.76 0.00 0.00 175.35 175.17 3jxs s VAL 56 N -0.83 0.91 -0.21 3.17 -7.23 -0.64 -4.73 120.40 110.84 3jxs s VAL 56 Ca 0.12 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.23 3jxs s VAL 56 Cb -0.10 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 3jxs s VAL 56 CO 0.03 -0.80 0.14 -0.22 -0.31 0.00 0.00 175.10 173.94 3jxs s LEU 57 N -3.04 4.18 -0.12 1.32 2.96 -0.76 -1.20 118.68 122.02 3jxs s LEU 57 Ca 0.13 0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 3jxs s LEU 57 Cb 0.03 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3jxs s LEU 57 CO -0.02 0.14 0.00 0.00 -1.32 0.00 0.00 176.35 175.15 3jxs s ALA 58 N 0.59 3.22 -0.30 5.97 0.00 0.32 -1.20 121.76 130.36 3jxs s ALA 58 Ca 0.08 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3jxs s ALA 58 Cb -0.12 -1.58 0.08 0.00 0.00 0.00 0.00 23.12 21.50 3jxs s ALA 58 CO 0.00 0.40 -0.00 0.08 0.00 0.00 0.00 175.76 176.24 3jxs s VAL 59 N -0.27 2.01 -0.28 0.00 1.01 0.58 -1.11 120.40 122.34 3jxs s VAL 59 Ca 0.06 -1.91 -0.18 0.00 0.00 0.00 0.00 61.98 59.95 3jxs s VAL 59 Cb -0.12 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3jxs s VAL 59 CO 0.02 -0.38 0.53 -0.89 0.00 0.00 0.00 175.10 174.38 3jxs s THR 60 N 1.09 5.05 -0.29 3.92 2.01 -0.04 -0.71 115.64 126.67 3jxs s THR 60 Ca 0.03 0.82 -0.13 0.00 0.31 0.00 0.00 61.69 62.72 3jxs s THR 60 Cb -0.19 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3jxs s THR 60 CO -0.09 0.02 0.28 -0.69 -0.69 0.00 0.00 174.62 173.45 3jxs s VAL 61 N 2.36 5.25 -1.41 3.82 1.01 -0.78 -1.54 120.40 129.11 3jxs s VAL 61 Ca 0.21 0.28 0.13 0.00 0.00 0.00 0.00 61.98 62.60 3jxs s VAL 61 Cb -0.16 -3.63 0.20 0.00 0.00 0.00 0.00 36.38 32.80 3jxs s VAL 61 CO 0.10 0.17 1.06 0.59 0.00 0.00 0.00 175.10 177.02 3jxs n ASN 62 N 5.19 2.47 0.00 3.32 3.02 -1.26 -0.88 115.26 127.11 3jxs n ASN 62 Ca -0.11 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 3jxs n ASN 62 Cb 0.51 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 3jxs n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jxs n GLY 63 N 0.71 1.77 3.39 7.41 0.00 -1.25 -4.73 105.19 112.50 3jxs n GLY 63 Ca 0.10 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 0.66 0.00 1.61 -7.23 -1.26 -4.82 120.40 107.36 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 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.34 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 -0.62 4.50 0.87 2.32 0.00 -1.26 -4.32 105.19 106.67 3jxs n GLY 65 Ca -0.01 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 3.05 -3.70 1.61 3.02 -1.26 -4.96 115.26 113.01 3jxs n ASN 66 Ca 0.00 -1.89 -0.14 0.00 -0.03 0.00 0.00 54.58 52.52 3jxs n ASN 66 Cb 0.00 -0.22 -0.09 0.00 -0.61 0.00 0.00 39.78 38.86 3jxs n ASN 66 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3jxs s ASN 67 N -1.15 -0.50 0.41 6.41 3.84 -1.26 -5.05 114.94 117.64 3jxs s ASN 67 Ca 0.30 0.91 0.21 0.00 0.21 0.00 0.00 52.86 54.49 3jxs s ASN 67 Cb 0.17 0.93 1.18 0.00 -0.55 0.00 0.00 41.25 42.98 3jxs s ASN 67 CO 0.23 -0.22 1.75 -0.65 -2.79 0.00 0.00 177.10 175.42 3jxs h PRO 68 N 5.11 0.31 0.00 0.43 0.10 -1.94 -0.08 132.00 135.93 3jxs h PRO 68 Ca -0.28 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.81 3jxs h PRO 68 Cb 1.17 -0.07 0.00 0.00 0.10 0.00 0.00 31.00 32.20 3jxs h PRO 68 CO 0.22 0.21 0.00 0.98 0.10 0.00 0.00 178.00 179.51 3jxs n TYR 69 N -4.62 0.00 0.36 0.65 9.36 -1.26 -0.78 117.16 120.87 3jxs n TYR 69 Ca 0.27 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.57 3jxs n TYR 69 Cb 0.99 -0.44 0.35 0.00 -0.63 0.00 0.00 39.34 39.61 3jxs n TYR 69 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3jxs n ASP 70 N -1.44 0.26 -3.86 2.98 8.00 -0.04 -3.62 116.55 118.83 3jxs n ASP 70 Ca 0.06 0.58 -0.29 0.00 0.71 0.00 0.00 54.79 55.85 3jxs n ASP 70 Cb 0.21 -0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 40.52 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 -3.15 1.05 0.04 0.53 1.01 -1.19 -0.56 121.20 118.93 3jxs s ILE 71 Ca 0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 3jxs s ILE 71 Cb 0.08 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3jxs s ILE 71 CO 0.26 -0.04 0.01 -1.38 0.00 0.00 0.00 174.94 173.79 3jxs s HIS 72 N 1.63 0.34 -0.12 3.97 -3.43 -1.01 -0.97 115.29 115.71 3jxs s HIS 72 Ca -0.02 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.50 3jxs s HIS 72 Cb -0.17 -0.25 0.02 0.00 -1.43 0.00 0.00 32.58 30.75 3jxs s HIS 72 CO -0.07 -0.32 -0.11 0.00 -2.00 0.00 0.00 174.74 172.24 3jxs s ALA 73 N -2.83 1.51 -0.15 -1.38 0.00 -0.73 -2.13 121.76 116.05 3jxs s ALA 73 Ca -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3jxs s ALA 73 Cb 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.22 3jxs s ALA 73 CO -0.06 -0.34 -0.17 0.99 0.00 0.00 0.00 175.76 176.18 3jxs s THR 74 N 1.51 1.76 -0.02 0.00 2.01 0.49 -0.47 115.64 120.91 3jxs s THR 74 Ca 0.03 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 3jxs s THR 74 Cb -0.13 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3jxs s THR 74 CO -0.08 0.49 1.23 0.00 -0.69 0.00 0.00 174.62 175.58 3jxs s ALA 75 N 1.22 3.49 -0.29 7.40 0.00 -0.86 -0.22 121.76 132.49 3jxs s ALA 75 Ca 0.01 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 3jxs s ALA 75 Cb -0.14 -3.51 0.11 0.00 0.00 0.00 0.00 23.12 19.58 3jxs s ALA 75 CO -0.08 -0.72 0.68 -1.17 0.00 0.00 0.00 175.76 174.47 3jxs s LEU 76 N 2.02 -1.03 0.44 0.00 0.20 -0.28 -1.00 118.68 119.03 3jxs s LEU 76 Ca 0.58 1.51 -0.13 0.00 0.69 0.00 0.00 54.13 56.78 3jxs s LEU 76 Cb -0.27 2.31 -0.07 0.00 -0.43 0.00 0.00 46.19 47.73 3jxs s LEU 76 CO 0.24 -0.22 0.85 -2.16 -0.29 0.00 0.00 176.35 174.76 3jxs s PRO 77 N 2.33 3.84 -0.28 0.98 0.04 -1.26 -3.61 135.00 137.03 3jxs s PRO 77 Ca -0.08 0.64 0.03 0.00 0.04 0.00 0.00 61.00 61.63 3jxs s PRO 77 Cb -0.09 -2.30 0.07 0.00 0.04 0.00 0.00 34.50 32.22 3jxs s PRO 77 CO -0.19 -0.12 -0.07 0.08 0.04 0.00 0.00 177.00 176.73 3jxs s VAL 78 N -2.46 2.23 -0.32 -0.36 1.01 -0.58 -4.00 120.40 115.92 3jxs s VAL 78 Ca 0.54 -1.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 3jxs s VAL 78 Cb -0.10 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 3jxs s VAL 78 CO 0.31 -0.15 0.66 0.20 0.00 0.00 0.00 175.10 176.13 3jxs s ASN 79 N 1.07 6.50 0.26 3.32 0.01 -0.11 -0.48 114.94 125.51 3jxs s ASN 79 Ca -0.05 0.38 0.01 0.00 -0.71 0.00 0.00 52.86 52.49 3jxs s ASN 79 Cb -0.20 -2.34 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 3jxs s ASN 79 CO -0.05 -0.54 0.11 0.68 -1.51 0.00 0.00 177.10 175.79 3jxs s VAL 80 N 2.70 0.44 -0.03 1.60 -7.23 -0.11 -4.58 120.40 113.20 3jxs s VAL 80 Ca 0.26 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 3jxs s VAL 80 Cb -0.15 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 3jxs s VAL 80 CO 0.13 0.00 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.55 3jxs s ARG 81 N -4.01 2.12 0.34 4.82 0.52 -1.26 -4.43 118.95 117.06 3jxs s ARG 81 Ca 0.38 -0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 54.44 3jxs s ARG 81 Cb 0.07 -1.96 -0.12 0.00 0.52 0.00 0.00 34.95 33.46 3jxs s ARG 81 CO 0.14 0.47 1.30 -2.30 0.02 0.00 0.00 175.30 174.94 3jxs n PRO 82 N 2.64 2.17 -0.61 3.54 -0.02 -1.25 -2.61 135.00 138.86 3jxs n PRO 82 Ca -0.16 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3jxs n PRO 82 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.75 1.47 3.82 -1.23 0.00 0.89 -4.98 105.19 105.91 3jxs n GLY 83 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.49 4.65 -0.24 1.61 1.01 -1.07 -4.80 120.40 118.07 3jxs s VAL 84 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 3jxs s VAL 84 Cb 0.00 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3jxs s VAL 84 CO 0.00 0.34 0.25 -0.89 0.00 0.00 0.00 175.10 174.80 3jxs s THR 85 N -1.36 5.29 0.13 3.92 2.01 -1.26 -2.10 115.64 122.26 3jxs s THR 85 Ca 0.38 0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.79 3jxs s THR 85 Cb -0.18 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3jxs s THR 85 CO 0.21 0.29 0.01 -0.31 -0.69 0.00 0.00 174.62 174.13 3jxs s TYR 86 N 1.33 2.95 -0.18 4.92 2.02 0.39 -4.65 117.35 124.13 3jxs s TYR 86 Ca 0.11 -0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.67 3jxs s TYR 86 Cb -0.14 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3jxs s TYR 86 CO 0.07 0.49 0.05 0.99 -1.57 0.00 0.00 175.55 175.59 3jxs s THR 87 N -1.49 4.70 -0.20 -0.71 2.01 0.61 -1.17 115.64 119.39 3jxs s THR 87 Ca 0.27 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.14 3jxs s THR 87 Cb -0.11 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 3jxs s THR 87 CO 0.19 0.46 0.04 -0.47 -0.69 0.00 0.00 174.62 174.15 3jxs s TYR 88 N 0.40 3.14 -0.01 4.92 6.04 0.26 -0.83 117.35 131.28 3jxs s TYR 88 Ca 0.02 -0.17 0.02 0.00 0.04 0.00 0.00 57.07 56.99 3jxs s TYR 88 Cb -0.13 -2.11 -0.00 0.00 -1.04 0.00 0.00 41.96 38.68 3jxs s TYR 88 CO 0.01 -0.06 -0.08 0.99 -1.54 0.00 0.00 175.55 174.86 3jxs s THR 89 N 0.80 0.64 0.06 4.34 2.01 -0.57 -1.44 115.64 121.49 3jxs s THR 89 Ca 0.03 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3jxs s THR 89 Cb -0.14 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.83 3jxs s THR 89 CO 0.02 0.19 0.24 -0.51 -0.69 0.00 0.00 174.62 173.87 3jxs s ILE 90 N -0.06 0.11 -0.08 1.82 2.07 -0.53 -0.60 121.20 123.93 3jxs s ILE 90 Ca 0.01 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 3jxs s ILE 90 Cb -0.05 -1.07 -0.03 0.00 0.13 0.00 0.00 42.46 41.45 3jxs s ILE 90 CO -0.00 -0.50 -0.05 0.26 -1.91 0.00 0.00 174.94 172.74 3jxs s TRP 91 N -3.05 2.98 -0.07 3.50 0.52 -0.08 -0.28 118.94 122.47 3jxs s TRP 91 Ca -0.01 0.03 -0.13 0.00 0.02 0.00 0.00 56.10 56.01 3jxs s TRP 91 Cb 0.01 -1.74 0.03 0.00 -1.15 0.00 0.00 33.47 30.62 3jxs s TRP 91 CO -0.06 0.34 0.32 0.00 0.02 0.00 0.00 176.95 177.56 3jxs s ALA 92 N -0.75 -0.79 0.33 0.98 0.00 -0.62 -1.71 121.76 119.19 3jxs s ALA 92 Ca 0.11 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 3jxs s ALA 92 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3jxs s ALA 92 CO 0.02 -0.21 0.43 -0.98 0.00 0.00 0.00 175.76 175.02 3jxs s ARG 93 N -0.55 1.82 0.08 0.00 1.70 -0.26 -2.18 118.95 119.56 3jxs s ARG 93 Ca -0.07 -1.75 0.01 0.00 -0.47 0.00 0.00 55.73 53.46 3jxs s ARG 93 Cb -0.04 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 3jxs s ARG 93 CO 0.02 -0.74 -0.05 0.00 -1.08 0.00 0.00 175.30 173.45 3jxs s ALA 94 N -3.25 0.79 0.27 7.88 0.00 -0.38 -0.36 121.76 126.70 3jxs s ALA 94 Ca 0.32 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3jxs s ALA 94 Cb 0.00 0.19 0.35 0.00 0.00 0.00 0.00 23.12 23.67 3jxs s ALA 94 CO 0.20 -0.27 1.83 1.49 0.00 0.00 0.00 175.76 179.00 3jxs h GLU 95 N 3.11 0.94 -5.43 0.00 4.57 -1.11 -3.34 114.58 113.32 3jxs h GLU 95 Ca -0.35 -0.17 -0.43 0.00 -1.18 0.00 0.00 59.36 57.23 3jxs h GLU 95 Cb 1.16 -0.15 -0.22 0.00 -0.16 0.00 0.00 28.75 29.38 3jxs h GLU 95 CO 0.64 0.80 -0.79 -0.65 -1.18 0.00 0.00 179.01 177.83 3jxs s GLN 96 N -5.36 0.87 0.69 1.92 -1.52 -1.26 -4.91 119.66 110.09 3jxs s GLN 96 Ca -0.11 -0.94 -0.17 0.00 -1.95 0.00 0.00 55.36 52.19 3jxs s GLN 96 Cb 0.16 -0.91 0.02 0.00 -0.22 0.00 0.00 33.01 32.05 3jxs s GLN 96 CO 0.81 0.21 1.28 -0.51 -0.25 0.00 0.00 175.29 176.82 3jxs s ASP 97 N -1.65 4.30 0.00 5.90 1.01 -1.26 -3.95 116.67 121.01 3jxs s ASP 97 Ca -0.00 2.57 0.00 0.00 0.71 0.00 0.00 52.55 55.82 3jxs s ASP 97 Cb -0.10 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3jxs s ASP 97 CO 0.02 -2.21 0.00 0.61 0.21 0.00 0.00 175.17 173.80 3jxs n GLY 98 N 0.81 0.89 3.81 0.21 0.00 -1.19 -5.03 105.19 104.69 3jxs n GLY 98 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 2.70 -0.03 4.61 0.00 -1.22 -4.74 121.76 121.08 3jxs s ALA 99 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.26 3jxs s ALA 99 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3jxs s ALA 99 CO 0.00 -0.99 -0.04 0.08 0.00 0.00 0.00 175.76 174.81 3jxs s VAL 100 N -2.67 0.46 -0.03 0.00 1.01 -1.26 -1.11 120.40 116.80 3jxs s VAL 100 Ca 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 3jxs s VAL 100 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3jxs s VAL 100 CO 0.44 0.19 0.09 -0.69 0.00 0.00 0.00 175.10 175.12 3jxs s VAL 101 N 0.63 0.01 -0.15 2.92 1.01 -0.56 -4.77 120.40 119.49 3jxs s VAL 101 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3jxs s VAL 101 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3jxs s VAL 101 CO -0.00 -0.03 -0.05 -0.44 0.00 0.00 0.00 175.10 174.58 3jxs s SER 102 N -0.06 4.73 -0.26 3.32 0.01 -0.78 -0.38 113.70 120.28 3jxs s SER 102 Ca -0.01 -0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.06 3jxs s SER 102 Cb -0.01 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.49 3jxs s SER 102 CO 0.00 0.19 0.04 -0.36 0.41 0.00 0.00 173.24 173.52 3jxs s PHE 103 N 0.24 3.08 0.10 2.43 0.08 -0.27 -0.75 117.98 122.89 3jxs s PHE 103 Ca -0.03 -0.83 0.03 0.00 0.12 0.00 0.00 56.93 56.21 3jxs s PHE 103 Cb -0.14 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 3jxs s PHE 103 CO 0.03 -0.51 -0.08 0.95 -0.10 0.00 0.00 175.22 175.51 3jxs s THR 104 N 1.52 0.80 -0.02 0.64 -4.23 -0.62 -0.74 115.64 112.99 3jxs s THR 104 Ca 0.04 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 3jxs s THR 104 Cb -0.16 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.17 3jxs s THR 104 CO 0.01 -0.73 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.63 3jxs s VAL 105 N -3.07 0.36 0.01 2.29 1.01 -0.64 -2.69 120.40 117.68 3jxs s VAL 105 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3jxs s VAL 105 Cb 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.05 3jxs s VAL 105 CO -0.02 0.13 0.09 0.61 0.00 0.00 0.00 175.10 175.91 3jxs n GLY 106 N 3.38 1.05 3.90 4.51 0.00 -0.51 -0.46 105.19 117.06 3jxs n GLY 106 Ca -0.18 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 3jxs n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jxs s ASN 107 N -1.20 4.60 0.30 1.61 2.20 -0.42 -1.30 114.94 120.73 3jxs s ASN 107 Ca 0.02 -1.28 0.22 0.00 -0.94 0.00 0.00 52.86 50.88 3jxs s ASN 107 Cb -0.00 0.44 1.11 0.00 -2.00 0.00 0.00 41.25 40.80 3jxs s ASN 107 CO 0.00 -1.10 1.68 1.67 -2.94 0.00 0.00 177.10 176.41 3jxs n GLN 108 N -1.74 0.16 -0.09 3.55 7.27 -1.26 -1.74 117.38 123.53 3jxs n GLN 108 Ca -0.03 0.57 0.12 0.00 0.07 0.00 0.00 57.00 57.73 3jxs n GLN 108 Cb 0.64 -1.93 0.32 0.00 2.41 0.00 0.00 30.24 31.68 3jxs n GLN 108 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3jxs n SER 109 N -2.25 2.30 -0.95 1.69 7.64 -1.26 -4.92 113.62 115.87 3jxs n SER 109 Ca -0.00 -1.79 -0.12 0.00 1.01 0.00 0.00 58.87 57.97 3jxs n SER 109 Cb 0.10 -0.11 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.75 -0.07 -2.73 1.43 8.25 -0.71 -5.01 115.22 117.13 3jxs n HIS 110 Ca 0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.22 3jxs n HIS 110 Cb 0.45 -2.23 -0.04 0.00 1.12 0.00 0.00 29.99 29.28 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 -2.83 7.46 0.07 0.41 1.01 -1.26 -4.86 116.67 116.67 3jxs s ASP 111 Ca 0.00 1.75 0.01 0.00 0.71 0.00 0.00 52.55 55.03 3jxs s ASP 111 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3jxs s ASP 111 CO 0.00 -0.11 0.15 -1.81 0.21 0.00 0.00 175.17 173.61 3jxs s ASP 112 N 0.22 5.98 0.08 0.27 1.01 -1.26 -1.30 116.67 121.67 3jxs s ASP 112 Ca 0.48 0.14 0.23 0.00 0.71 0.00 0.00 52.55 54.11 3jxs s ASP 112 Cb -0.23 -1.74 -0.06 0.00 1.01 0.00 0.00 42.92 41.90 3jxs s ASP 112 CO 0.29 0.17 0.91 -1.22 0.21 0.00 0.00 175.17 175.53 3jxs n TYR 113 N 0.36 0.41 -3.60 4.23 4.01 0.39 -4.94 117.16 118.03 3jxs n TYR 113 Ca -0.07 0.12 -0.05 0.00 -0.16 0.00 0.00 57.90 57.75 3jxs n TYR 113 Cb 0.51 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 3jxs n TYR 113 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3jxs s GLY 114 N -4.05 -0.25 0.16 2.72 0.00 -1.19 -4.48 107.32 100.22 3jxs s GLY 114 Ca -0.00 1.77 -0.24 0.00 0.00 0.00 0.00 44.72 46.25 3jxs s GLY 114 CO 0.82 0.64 0.75 1.09 0.00 0.00 0.00 173.10 176.40 3jxs s ARG 115 N -2.16 1.30 -0.31 2.90 1.70 -1.26 -1.62 118.95 119.50 3jxs s ARG 115 Ca 0.08 -0.60 0.02 0.00 -0.47 0.00 0.00 55.73 54.77 3jxs s ARG 115 Cb -0.01 0.52 0.09 0.00 -0.57 0.00 0.00 34.95 34.98 3jxs s ARG 115 CO -0.05 -0.58 0.03 -0.51 -1.08 0.00 0.00 175.30 173.11 3jxs s LEU 116 N -2.77 3.82 -0.03 -1.89 1.43 0.08 -5.01 118.68 114.32 3jxs s LEU 116 Ca 0.06 -1.85 -0.24 0.00 -1.03 0.00 0.00 54.13 51.08 3jxs s LEU 116 Cb -0.02 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3jxs s LEU 116 CO -0.05 -0.35 0.71 -2.28 0.23 0.00 0.00 176.35 174.62 3jxs s HIS 117 N 1.14 3.64 -1.31 0.29 5.65 -1.26 -1.11 115.29 122.32 3jxs s HIS 117 Ca 0.07 1.32 -0.12 0.00 0.25 0.00 0.00 55.06 56.58 3jxs s HIS 117 Cb -0.19 -2.79 0.00 0.00 -1.18 0.00 0.00 32.58 28.42 3jxs s HIS 117 CO -0.11 0.17 0.52 0.39 -0.65 0.00 0.00 174.74 175.06 3jxs n GLU 118 N 3.39 -1.95 -2.20 2.88 1.02 -1.22 -4.90 120.64 117.66 3jxs n GLU 118 Ca -0.02 0.33 -0.41 0.00 -0.02 0.00 0.00 57.16 57.05 3jxs n GLU 118 Cb 0.51 -3.99 -0.03 0.00 -0.02 0.00 0.00 31.44 27.91 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 -6.61 4.41 -0.16 3.49 -1.52 0.48 -4.76 119.66 114.99 3jxs s GLN 119 Ca 0.22 2.11 -0.24 0.00 -1.95 0.00 0.00 55.36 55.50 3jxs s GLN 119 Cb -0.09 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 3jxs s GLN 119 CO 0.91 -0.14 0.76 -0.65 -0.25 0.00 0.00 175.29 175.92 3jxs s GLN 120 N -1.28 4.29 -0.15 2.91 -1.52 -1.26 -1.50 119.66 121.16 3jxs s GLN 120 Ca 0.50 0.90 -0.05 0.00 -1.95 0.00 0.00 55.36 54.76 3jxs s GLN 120 Cb -0.38 -3.56 -0.03 0.00 -0.22 0.00 0.00 33.01 28.82 3jxs s GLN 120 CO 0.47 -0.25 0.01 0.42 -0.25 0.00 0.00 175.29 175.69 3jxs s ILE 121 N 1.91 4.37 0.54 1.08 -1.09 -0.27 -5.01 121.20 122.74 3jxs s ILE 121 Ca 0.36 -0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.64 3jxs s ILE 121 Cb -0.17 -2.92 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3jxs s ILE 121 CO 0.13 0.51 0.44 0.42 -1.23 0.00 0.00 174.94 175.21 3jxs s THR 122 N 0.03 1.73 -0.88 2.92 -4.23 -1.26 -3.14 115.64 110.81 3jxs s THR 122 Ca 0.03 -1.44 0.16 0.00 -1.18 0.00 0.00 61.69 59.26 3jxs s THR 122 Cb -0.13 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.69 3jxs s THR 122 CO 0.02 0.00 1.51 0.35 -0.54 0.00 0.00 174.62 175.95 3jxs n THR 123 N -1.80 0.99 -3.96 3.99 -2.24 -1.25 -1.25 114.28 108.77 3jxs n THR 123 Ca 0.00 0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.67 3jxs n THR 123 Cb 0.64 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.75 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 -3.07 3.41 0.05 -0.78 0.41 -1.26 -4.59 118.70 112.87 3jxs s GLU 124 Ca 0.06 -0.18 -0.37 0.00 -0.41 0.00 0.00 54.97 54.07 3jxs s GLU 124 Cb 0.09 -3.14 -0.16 0.00 -1.78 0.00 0.00 34.13 29.14 3jxs s GLU 124 CO 0.28 0.73 1.43 0.91 -0.49 0.00 0.00 175.26 178.12 3jxs n TRP 125 N 2.12 1.69 -4.04 1.61 7.02 -1.26 -4.54 117.44 120.02 3jxs n TRP 125 Ca -0.20 0.57 -0.11 0.00 -1.02 0.00 0.00 57.50 56.74 3jxs n TRP 125 Cb 0.55 -2.38 -0.11 0.00 -2.42 0.00 0.00 31.31 26.94 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 0.96 0.48 0.14 -0.99 -0.21 -0.93 -4.98 119.66 114.14 3jxs s GLN 126 Ca 0.85 -0.76 -0.20 0.00 0.02 0.00 0.00 55.36 55.28 3jxs s GLN 126 Cb -0.93 -0.15 -0.07 0.00 1.00 0.00 0.00 33.01 32.86 3jxs s GLN 126 CO 0.48 0.01 0.65 -1.25 -2.12 0.00 0.00 175.29 173.06 3jxs s PRO 127 N -1.73 4.26 -0.16 2.91 0.04 -1.26 -1.59 135.00 137.47 3jxs s PRO 127 Ca -0.10 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.77 3jxs s PRO 127 Cb -0.09 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.38 3jxs s PRO 127 CO -0.01 0.53 -0.16 -0.06 0.04 0.00 0.00 177.00 177.34 3jxs s PHE 128 N -1.29 2.39 0.05 0.56 0.08 0.62 -4.98 117.98 115.42 3jxs s PHE 128 Ca 0.36 -1.37 0.04 0.00 0.12 0.00 0.00 56.93 56.07 3jxs s PHE 128 Cb -0.19 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3jxs s PHE 128 CO 0.21 -0.71 -0.11 0.99 -0.10 0.00 0.00 175.22 175.50 3jxs s THR 129 N 1.38 0.85 0.23 0.64 2.01 -1.26 -1.46 115.64 118.04 3jxs s THR 129 Ca 0.04 -1.10 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 3jxs s THR 129 Cb -0.13 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.57 3jxs s THR 129 CO -0.11 -0.23 0.62 0.72 -0.69 0.00 0.00 174.62 174.93 3jxs s PHE 130 N -1.18 -0.17 0.05 4.92 -0.12 -0.52 -5.01 117.98 115.95 3jxs s PHE 130 Ca -0.04 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 56.66 3jxs s PHE 130 Cb -0.09 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3jxs s PHE 130 CO 0.01 -1.06 0.03 -1.21 -0.05 0.00 0.00 175.22 172.94 3jxs s GLU 131 N -3.89 2.76 0.05 1.99 2.02 -1.26 -0.57 118.70 119.80 3jxs s GLU 131 Ca 0.10 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.35 3jxs s GLU 131 Cb -0.03 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 3jxs s GLU 131 CO 0.01 0.59 0.09 -0.59 0.02 0.00 0.00 175.26 175.38 3jxs s PHE 132 N -1.23 0.26 -0.04 1.61 -0.12 -0.31 -4.87 117.98 113.27 3jxs s PHE 132 Ca 0.24 -0.65 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 3jxs s PHE 132 Cb -0.12 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 3jxs s PHE 132 CO 0.16 -0.42 -0.25 0.99 -0.05 0.00 0.00 175.22 175.65 3jxs s THR 133 N -3.23 2.04 -0.65 -4.49 2.01 -1.26 -0.47 115.64 109.59 3jxs s THR 133 Ca 0.00 -1.08 -0.28 0.00 0.31 0.00 0.00 61.69 60.65 3jxs s THR 133 Cb 0.02 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.85 3jxs s THR 133 CO -0.07 0.57 1.29 -0.69 -0.69 0.00 0.00 174.62 175.02 3jxs s VAL 134 N -0.39 3.83 -2.47 3.82 1.01 -0.89 -4.83 120.40 120.47 3jxs s VAL 134 Ca 0.03 0.63 0.23 0.00 0.00 0.00 0.00 61.98 62.87 3jxs s VAL 134 Cb -0.12 -4.74 0.42 0.00 0.00 0.00 0.00 36.38 31.94 3jxs s VAL 134 CO 0.01 -1.53 1.48 -1.54 0.00 0.00 0.00 175.10 173.52 3jxs n SER 135 N 9.18 2.47 -0.47 3.32 3.41 -1.26 -0.08 113.62 130.19 3jxs n SER 135 Ca 0.07 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 3jxs n SER 135 Cb 0.49 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.87 0.09 -1.39 4.04 5.68 -1.26 -4.99 116.55 119.59 3jxs n ASP 136 Ca 0.17 -0.45 0.08 0.00 -0.50 0.00 0.00 54.79 54.09 3jxs n ASP 136 Cb 0.47 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.75 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 3.34 -2.60 0.11 0.00 -1.26 -4.55 117.38 112.41 3jxs n GLN 137 Ca 0.00 -2.38 -0.37 0.00 0.00 0.00 0.00 57.00 54.25 3jxs n GLN 137 Cb 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 30.24 28.38 3jxs n GLN 137 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3jxs s GLU 138 N -1.85 4.28 -0.00 2.61 0.41 -1.26 -4.89 118.70 118.01 3jxs s GLU 138 Ca 0.43 1.47 0.03 0.00 -0.41 0.00 0.00 54.97 56.49 3jxs s GLU 138 Cb 0.28 -2.61 -0.05 0.00 -1.78 0.00 0.00 34.13 29.97 3jxs s GLU 138 CO 0.20 -0.03 0.09 0.25 -0.49 0.00 0.00 175.26 175.28 3jxs n THR 139 N 0.10 0.00 -3.90 3.63 -2.24 -1.26 -3.95 114.28 106.67 3jxs n THR 139 Ca 0.04 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 3jxs n THR 139 Cb 0.50 0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.97 1.27 0.00 2.28 1.01 -1.26 -0.93 120.40 120.81 3jxs s VAL 140 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3jxs s VAL 140 Cb 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3jxs s VAL 140 CO 0.13 -0.05 0.00 2.30 0.00 0.00 0.00 175.10 177.48 3jxs n ILE 141 N 4.78 0.00 -4.00 2.22 -5.35 0.37 -4.80 119.36 112.58 3jxs n ILE 141 Ca -0.12 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.27 3jxs n ILE 141 Cb 0.46 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.21 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 -1.54 0.95 -0.46 6.28 1.70 -0.42 -1.53 118.95 123.93 3jxs s ARG 142 Ca 0.00 -1.20 0.04 0.00 -0.47 0.00 0.00 55.73 54.10 3jxs s ARG 142 Cb 0.00 0.31 0.17 0.00 -0.57 0.00 0.00 34.95 34.86 3jxs s ARG 142 CO 0.00 -0.30 0.36 0.00 -1.08 0.00 0.00 175.30 174.28 3jxs s ALA 143 N -3.96 1.85 0.09 7.88 0.00 -0.17 -1.42 121.76 126.04 3jxs s ALA 143 Ca 0.15 -2.68 -0.31 0.00 0.00 0.00 0.00 51.96 49.12 3jxs s ALA 143 Cb 0.05 -1.71 -0.07 0.00 0.00 0.00 0.00 23.12 21.39 3jxs s ALA 143 CO -0.04 -2.01 1.36 -2.14 0.00 0.00 0.00 175.76 172.94 3jxs s PRO 144 N -0.15 4.33 -0.25 0.00 0.02 -1.09 -2.03 135.00 135.83 3jxs s PRO 144 Ca 0.30 2.01 -0.07 0.00 0.02 0.00 0.00 61.00 63.26 3jxs s PRO 144 Cb -0.00 -3.31 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 3jxs s PRO 144 CO -0.17 -0.42 0.06 0.42 -0.33 0.00 0.00 177.00 176.55 3jxs s ILE 145 N 1.26 4.13 -0.17 2.83 1.01 0.37 -1.60 121.20 129.03 3jxs s ILE 145 Ca 0.64 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 3jxs s ILE 145 Cb -0.35 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 3jxs s ILE 145 CO 0.30 0.31 0.35 -1.00 0.00 0.00 0.00 174.94 174.89 3jxs s HIS 146 N 1.58 3.43 -0.06 3.97 3.76 0.07 -1.78 115.29 126.27 3jxs s HIS 146 Ca 0.06 0.63 0.01 0.00 -0.15 0.00 0.00 55.06 55.60 3jxs s HIS 146 Cb -0.15 -2.43 -0.00 0.00 1.11 0.00 0.00 32.58 31.11 3jxs s HIS 146 CO 0.02 0.14 0.29 1.19 -0.85 0.00 0.00 174.74 175.53 3jxs n PHE 147 N 3.90 0.00 -0.25 1.40 3.72 -0.15 -1.86 117.46 124.23 3jxs n PHE 147 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3jxs n PHE 147 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.50 2.03 3.81 1.37 0.00 0.04 -4.84 105.19 108.10 3jxs n GLY 148 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.39 3.52 0.34 1.61 0.40 -1.26 -4.32 117.98 118.65 3jxs s PHE 149 Ca 0.00 0.49 0.11 0.00 -0.60 0.00 0.00 56.93 56.93 3jxs s PHE 149 Cb 0.00 -2.09 0.91 0.00 0.51 0.00 0.00 43.02 42.35 3jxs s PHE 149 CO 0.00 0.51 1.76 0.00 0.70 0.00 0.00 175.22 178.19 3jxs h ALA 150 N 5.77 1.89 -0.02 5.36 0.00 -1.97 -0.11 119.26 130.18 3jxs h ALA 150 Ca -0.48 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3jxs h ALA 150 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3jxs h ALA 150 CO 0.67 -0.31 0.32 0.00 0.00 0.00 0.00 179.25 179.93 3jxs h ALA 151 N 1.67 1.36 -0.00 0.00 0.00 -1.93 -2.51 119.26 117.85 3jxs h ALA 151 Ca 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3jxs h ALA 151 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3jxs h ALA 151 CO -0.39 -0.33 -0.67 0.09 0.00 0.00 0.00 179.25 177.95 3jxs n ASN 152 N -2.95 0.82 -4.66 0.00 3.02 -0.05 -4.66 115.26 106.78 3jxs n ASN 152 Ca -0.02 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 3jxs n ASN 152 Cb 0.38 0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 40.06 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 -2.93 3.09 0.00 2.41 1.01 -0.95 -0.90 120.40 122.13 3jxs s VAL 153 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3jxs s VAL 153 Cb 0.17 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3jxs s VAL 153 CO 0.74 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.44 3jxs n GLY 154 N 4.40 0.15 3.93 4.51 0.00 -0.06 -5.02 105.19 113.10 3jxs n GLY 154 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.12 5.47 -0.07 1.61 3.84 -0.08 -4.94 114.94 118.64 3jxs s ASN 155 Ca 0.00 -0.48 0.02 0.00 0.21 0.00 0.00 52.86 52.60 3jxs s ASN 155 Cb 0.00 -0.81 0.02 0.00 -0.55 0.00 0.00 41.25 39.90 3jxs s ASN 155 CO 0.00 -0.58 -0.11 -0.89 -2.79 0.00 0.00 177.10 172.73 3jxs s THR 156 N -2.34 1.08 -0.15 -5.21 2.01 -1.26 -1.86 115.64 107.92 3jxs s THR 156 Ca 0.48 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 3jxs s THR 156 Cb -0.07 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 3jxs s THR 156 CO 0.30 0.35 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.93 3jxs s ILE 157 N 0.81 4.08 -0.14 1.82 1.09 0.11 -0.49 121.20 128.48 3jxs s ILE 157 Ca -0.12 -0.30 -0.01 0.00 -1.10 0.00 0.00 60.65 59.12 3jxs s ILE 157 Cb -0.15 -2.78 -0.02 0.00 -1.06 0.00 0.00 42.46 38.44 3jxs s ILE 157 CO 0.02 0.51 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.96 3jxs s TYR 158 N 0.16 2.89 0.10 3.97 2.02 0.51 -0.31 117.35 126.69 3jxs s TYR 158 Ca -0.00 -0.53 0.08 0.00 -0.37 0.00 0.00 57.07 56.25 3jxs s TYR 158 Cb -0.13 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 3jxs s TYR 158 CO 0.02 -0.16 -0.20 0.96 -1.57 0.00 0.00 175.55 174.60 3jxs s ILE 159 N 0.37 1.67 0.10 2.71 -4.36 -0.34 -1.10 121.20 120.26 3jxs s ILE 159 Ca -0.08 -1.52 -0.25 0.00 -0.26 0.00 0.00 60.65 58.54 3jxs s ILE 159 Cb -0.15 -1.52 0.08 0.00 1.25 0.00 0.00 42.46 42.12 3jxs s ILE 159 CO 0.05 -0.07 0.70 -0.62 0.24 0.00 0.00 174.94 175.24 3jxs s ASP 160 N -1.88 -0.49 -1.07 4.36 2.15 -0.70 -1.82 116.67 117.21 3jxs s ASP 160 Ca 0.06 -0.01 -0.05 0.00 0.43 0.00 0.00 52.55 52.98 3jxs s ASP 160 Cb -0.10 0.53 0.01 0.00 -0.30 0.00 0.00 42.92 43.05 3jxs s ASP 160 CO 0.04 -0.85 0.67 0.61 -0.17 0.00 0.00 175.17 175.47 3jxs n GLY 161 N -0.33 -0.17 3.70 2.66 0.00 -1.11 -0.90 105.19 109.03 3jxs n GLY 161 Ca -0.14 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -5.35 4.36 -0.05 0.99 2.96 -0.20 -4.30 118.68 117.08 3jxs s LEU 162 Ca 0.33 2.42 -0.01 0.00 -0.22 0.00 0.00 54.13 56.66 3jxs s LEU 162 Cb -0.15 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.00 3jxs s LEU 162 CO 0.41 -0.81 0.00 0.00 -1.32 0.00 0.00 176.35 174.63 3jxs s ALA 163 N 2.11 0.49 -0.27 5.97 0.00 0.23 -4.38 121.76 125.91 3jxs s ALA 163 Ca 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 3jxs s ALA 163 Cb -0.39 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.23 3jxs s ALA 163 CO 0.31 -0.27 -0.04 0.42 0.00 0.00 0.00 175.76 176.17 3jxs s ILE 164 N 1.54 2.87 -0.02 0.00 1.01 -1.26 -1.51 121.20 123.83 3jxs s ILE 164 Ca -0.02 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.44 3jxs s ILE 164 Cb -0.13 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.79 3jxs s ILE 164 CO -0.03 0.06 -0.09 -0.69 0.00 0.00 0.00 174.94 174.19 3jxs s VAL 165 N 1.28 0.77 -2.00 2.92 1.01 -0.01 -0.26 120.40 124.12 3jxs s VAL 165 Ca -0.03 -0.37 0.17 0.00 0.00 0.00 0.00 61.98 61.75 3jxs s VAL 165 Cb -0.18 -0.68 0.48 0.00 0.00 0.00 0.00 36.38 36.00 3jxs s VAL 165 CO -0.03 0.24 1.41 -0.67 0.00 0.00 0.00 175.10 176.05