#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se2 n SER 2 N 0.00 0.00 -4.48 1.62 7.64 -1.26 -4.94 113.62 112.19 1se2 n SER 2 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1se2 n SER 2 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1se2 n SER 2 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1se2 s GLN 3 N 0.00 3.10 1.06 1.43 0.74 0.25 -4.92 119.66 121.31 1se2 s GLN 3 Ca 0.00 -0.61 -0.17 0.00 0.05 0.00 0.00 55.36 54.63 1se2 s GLN 3 Cb 0.00 -2.63 0.27 0.00 1.10 0.00 0.00 33.01 31.75 1se2 s GLN 3 CO 0.00 0.43 0.61 -2.30 -0.55 0.00 0.00 175.29 173.48 1se2 n PRO 4 N 2.91 -3.83 -2.96 1.67 -0.01 -1.26 -4.31 135.00 127.21 1se2 n PRO 4 Ca -0.18 -1.02 -0.22 0.00 -0.01 0.00 0.00 63.50 62.08 1se2 n PRO 4 Cb 0.53 -1.38 0.02 0.00 -0.01 0.00 0.00 33.50 32.66 1se2 n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1se2 s ASP 5 N -2.71 5.69 -0.13 2.55 1.01 -1.26 -4.76 116.67 117.05 1se2 s ASP 5 Ca 0.47 0.10 -0.36 0.00 0.71 0.00 0.00 52.55 53.47 1se2 s ASP 5 Cb -0.08 -1.26 -0.13 0.00 1.01 0.00 0.00 42.92 42.46 1se2 s ASP 5 CO 0.39 -0.79 1.83 -2.65 0.21 0.00 0.00 175.17 174.17 1se2 n PRO 6 N -2.08 1.90 -2.57 8.23 -0.02 -1.26 -4.98 135.00 134.23 1se2 n PRO 6 Ca 0.03 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 1se2 n PRO 6 Cb 0.58 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 1se2 n PRO 6 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1se2 s THR 7 N 3.82 3.71 0.00 3.45 2.01 -1.26 -4.99 115.64 122.38 1se2 s THR 7 Ca 0.94 1.60 0.00 0.00 0.31 0.00 0.00 61.69 64.54 1se2 s THR 7 Cb -0.79 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 67.74 1se2 s THR 7 CO 0.55 0.29 0.98 -2.65 -0.69 0.00 0.00 174.62 173.11 1se2 n PRO 8 N 0.93 0.00 -2.79 4.92 -0.02 -1.26 -2.54 135.00 134.23 1se2 n PRO 8 Ca 0.00 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 61.91 1se2 n PRO 8 Cb 0.47 -1.48 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1se2 n PRO 8 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1se2 s ASP 9 N -2.75 6.66 0.00 2.55 1.01 -1.26 -3.27 116.67 119.60 1se2 s ASP 9 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 52.55 51.26 1se2 s ASP 9 Cb 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1se2 s ASP 9 CO 0.00 -1.17 0.00 1.21 0.21 0.00 0.00 175.17 175.42 1se2 n GLU 10 N 7.28 0.00 -2.99 8.23 2.13 -1.05 -5.16 120.64 129.08 1se2 n GLU 10 Ca 0.30 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.76 1se2 n GLU 10 Cb 0.49 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.13 1se2 n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1se2 s LEU 11 N -0.74 4.26 0.33 4.31 1.43 -1.20 -4.95 118.68 122.11 1se2 s LEU 11 Ca 0.00 1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 54.36 1se2 s LEU 11 Cb 0.00 -3.87 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 1se2 s LEU 11 CO 0.00 -0.07 1.15 -1.00 0.23 0.00 0.00 176.35 176.67 1se2 s HIS 12 N -1.68 3.32 -0.05 0.29 3.76 -1.26 -5.05 115.29 114.62 1se2 s HIS 12 Ca 0.48 1.60 0.05 0.00 -0.15 0.00 0.00 55.06 57.04 1se2 s HIS 12 Cb -0.15 -3.38 -0.02 0.00 1.11 0.00 0.00 32.58 30.14 1se2 s HIS 12 CO 0.20 -1.01 -0.19 0.15 -0.85 0.00 0.00 174.74 173.05 1se2 s LYS 13 N -1.81 2.54 0.35 1.40 3.01 -1.26 -4.45 119.74 119.51 1se2 s LYS 13 Ca 0.50 -0.79 0.17 0.00 -1.01 0.00 0.00 55.97 54.84 1se2 s LYS 13 Cb -0.32 -2.29 0.54 0.00 -1.01 0.00 0.00 37.83 34.74 1se2 s LYS 13 CO 0.42 0.51 1.67 0.66 0.51 0.00 0.00 175.35 179.12 1se2 h SER 14 N 5.69 0.00 0.04 2.83 4.64 -1.56 -2.92 113.55 122.26 1se2 h SER 14 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1se2 h SER 14 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1se2 h SER 14 CO 0.50 0.43 0.00 -1.54 -0.87 0.00 0.00 176.83 175.35 1se2 n SER 15 N -3.50 0.00 -0.05 4.97 3.41 -1.26 -2.50 113.62 114.68 1se2 n SER 15 Ca 0.00 -0.64 -0.03 0.00 -0.26 0.00 0.00 58.87 57.94 1se2 n SER 15 Cb 0.56 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1se2 n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1se2 n GLU 16 N -1.03 1.39 -2.93 4.33 1.02 -1.11 -4.92 120.64 117.39 1se2 n GLU 16 Ca 0.16 -0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.90 1se2 n GLU 16 Cb 0.08 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 1se2 n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1se2 s PHE 17 N -2.52 3.67 -0.04 -0.32 5.36 -1.04 -2.49 117.98 120.59 1se2 s PHE 17 Ca -0.07 1.60 0.06 0.00 -0.96 0.00 0.00 56.93 57.56 1se2 s PHE 17 Cb 0.06 -2.78 0.09 0.00 -0.34 0.00 0.00 43.02 40.04 1se2 s PHE 17 CO 0.59 0.27 0.97 0.25 -1.46 0.00 0.00 175.22 175.83 1se2 n THR 18 N 0.63 0.71 -3.37 0.12 -2.24 0.47 -4.86 114.28 105.74 1se2 n THR 18 Ca -0.00 -0.83 -0.26 0.00 -2.27 0.00 0.00 64.05 60.69 1se2 n THR 18 Cb 0.51 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 1se2 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1se2 n GLY 19 N -0.51 4.54 2.16 3.38 0.00 -0.34 -4.79 105.19 109.64 1se2 n GLY 19 Ca 0.05 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.48 1se2 n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1se2 n THR 20 N 0.89 -6.41 0.44 2.61 -2.24 -1.26 -4.64 114.28 103.68 1se2 n THR 20 Ca 0.29 1.52 0.06 0.00 -2.27 0.00 0.00 64.05 63.65 1se2 n THR 20 Cb 0.43 -3.66 0.27 0.00 -2.10 0.00 0.00 70.33 65.27 1se2 n THR 20 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1se2 n MET 21 N 1.93 0.02 0.05 -0.78 1.56 -0.91 -1.55 117.12 117.44 1se2 n MET 21 Ca 0.00 0.27 0.01 0.00 -0.27 0.00 0.00 57.70 57.72 1se2 n MET 21 Cb 0.00 -1.50 0.35 0.00 2.15 0.00 0.00 33.22 34.22 1se2 n MET 21 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1se2 h GLY 22 N 2.12 0.42 2.00 -5.12 0.00 -1.30 0.43 103.07 101.62 1se2 h GLY 22 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1se2 h GLY 22 CO 0.00 0.23 -0.56 3.43 0.00 0.00 0.00 176.54 179.64 1se2 h ASN 23 N 0.38 0.00 0.29 0.19 2.35 -1.55 -0.66 115.58 116.59 1se2 h ASN 23 Ca 0.08 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.51 1se2 h ASN 23 Cb 0.31 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.71 1se2 h ASN 23 CO 0.01 0.56 -1.39 -0.03 -1.65 0.00 0.00 177.43 174.93 1se2 h MET 24 N 0.00 0.52 -0.81 0.81 1.85 -1.58 -3.33 114.93 112.40 1se2 h MET 24 Ca -0.01 -0.84 0.04 0.00 -0.61 0.00 0.00 59.70 58.28 1se2 h MET 24 Cb 1.05 0.30 -0.05 0.00 0.43 0.00 0.00 31.60 33.33 1se2 h MET 24 CO 0.07 1.39 0.52 -0.22 -0.40 0.00 0.00 176.91 178.27 1se2 h LYS 25 N 0.17 0.96 -0.57 0.39 3.64 -0.02 -2.94 116.57 118.20 1se2 h LYS 25 Ca -0.22 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1se2 h LYS 25 Cb 2.08 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.66 1se2 h LYS 25 CO 0.26 0.64 0.40 1.88 -2.27 0.00 0.00 179.45 180.36 1se2 h TYR 26 N 0.99 0.11 0.00 1.91 0.05 -1.22 -1.03 116.97 117.78 1se2 h TYR 26 Ca 0.33 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.00 1se2 h TYR 26 Cb 0.04 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1se2 h TYR 26 CO -0.03 0.04 -0.55 -0.07 -1.05 0.00 0.00 178.16 176.50 1se2 h LEU 27 N 0.09 0.00 0.00 3.88 4.07 -1.69 -3.37 115.31 118.29 1se2 h LEU 27 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1se2 h LEU 27 Cb 0.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1se2 h LEU 27 CO -0.03 0.55 -1.37 -1.22 -1.08 0.00 0.00 178.44 175.30 1se2 n TYR 28 N -3.66 0.00 -2.49 1.13 4.01 -0.90 -4.55 117.16 110.69 1se2 n TYR 28 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 1se2 n TYR 28 Cb 0.60 -0.20 -0.02 0.00 -0.31 0.00 0.00 39.34 39.41 1se2 n TYR 28 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1se2 s ASP 29 N -3.02 6.75 -0.87 7.72 2.15 -0.44 -3.86 116.67 125.10 1se2 s ASP 29 Ca -0.03 1.13 -0.23 0.00 0.43 0.00 0.00 52.55 53.85 1se2 s ASP 29 Cb 0.06 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.17 1se2 s ASP 29 CO 0.40 -1.02 0.43 -0.67 -0.17 0.00 0.00 175.17 174.14 1se2 n ASP 30 N 7.39 -2.56 -3.75 -0.34 2.03 -1.26 -4.90 116.55 113.15 1se2 n ASP 30 Ca 0.14 -0.92 -0.13 0.00 0.52 0.00 0.00 54.79 54.41 1se2 n ASP 30 Cb 0.47 -1.10 -0.13 0.00 -0.72 0.00 0.00 41.12 39.64 1se2 n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1se2 s HIS 31 N -3.98 -0.29 0.00 -0.67 2.46 -1.25 -5.11 115.29 106.45 1se2 s HIS 31 Ca 0.32 0.70 0.00 0.00 0.47 0.00 0.00 55.06 56.55 1se2 s HIS 31 Cb -0.18 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.33 1se2 s HIS 31 CO 0.68 -0.19 0.00 2.48 -2.47 0.00 0.00 174.74 175.25 1se2 n TYR 32 N 3.74 0.00 -5.01 3.88 4.11 -1.26 -4.68 117.16 117.93 1se2 n TYR 32 Ca -0.20 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.38 1se2 n TYR 32 Cb 0.55 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.75 1se2 n TYR 32 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1se2 s VAL 33 N -2.00 2.68 -0.03 -3.48 1.01 0.23 -4.84 120.40 113.97 1se2 s VAL 33 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1se2 s VAL 33 Cb 0.00 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1se2 s VAL 33 CO 0.00 0.56 0.01 -0.55 0.00 0.00 0.00 175.10 175.12 1se2 s SER 34 N -0.76 0.49 -0.00 3.32 0.15 -1.26 -2.44 113.70 113.19 1se2 s SER 34 Ca 0.11 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1se2 s SER 34 Cb -0.10 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1se2 s SER 34 CO 0.00 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.32 1se2 s ALA 35 N 1.22 0.01 -0.23 5.45 0.00 -1.09 -4.96 121.76 122.16 1se2 s ALA 35 Ca -0.07 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1se2 s ALA 35 Cb -0.13 -0.02 -0.18 0.00 0.00 0.00 0.00 23.12 22.79 1se2 s ALA 35 CO -0.02 -0.01 -0.05 2.41 0.00 0.00 0.00 175.76 178.09 1se2 n THR 36 N 3.18 1.57 -3.10 0.00 -1.04 -1.26 -0.53 114.28 113.10 1se2 n THR 36 Ca -0.13 -0.38 -0.17 0.00 -2.04 0.00 0.00 64.05 61.33 1se2 n THR 36 Cb 0.59 -1.80 -0.01 0.00 -1.82 0.00 0.00 70.33 67.29 1se2 n THR 36 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1se2 n LYS 37 N -3.94 0.95 -3.94 -2.82 5.02 -1.24 -4.11 118.16 108.08 1se2 n LYS 37 Ca -0.43 -3.07 -0.33 0.00 -2.02 0.00 0.00 58.31 52.46 1se2 n LYS 37 Cb 0.89 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 34.31 1se2 n LYS 37 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1se2 s VAL 38 N -1.75 5.31 0.06 -0.18 1.01 -0.78 -4.75 120.40 119.31 1se2 s VAL 38 Ca 0.36 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.20 1se2 s VAL 38 Cb 0.32 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1se2 s VAL 38 CO -0.08 0.31 -0.25 -0.32 0.00 0.00 0.00 175.10 174.75 1se2 s MET 39 N -1.98 1.62 0.17 2.72 1.75 -1.25 -0.07 119.30 122.25 1se2 s MET 39 Ca 0.27 -1.13 -0.33 0.00 -1.25 0.00 0.00 55.69 53.26 1se2 s MET 39 Cb -0.13 -1.85 -0.13 0.00 2.84 0.00 0.00 34.83 35.57 1se2 s MET 39 CO 0.19 0.47 1.66 -1.13 -0.65 0.00 0.00 175.02 175.56 1se2 n SER 40 N 1.60 3.52 0.03 1.11 3.41 -1.26 -4.78 113.62 117.24 1se2 n SER 40 Ca -0.17 1.06 -0.16 0.00 -0.26 0.00 0.00 58.87 59.34 1se2 n SER 40 Cb 0.52 -1.49 -0.14 0.00 -0.26 0.00 0.00 64.21 62.84 1se2 n SER 40 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1se2 h VAL 41 N 3.81 0.91 -1.94 -3.33 2.07 -1.58 -3.43 116.25 112.75 1se2 h VAL 41 Ca -0.44 -2.63 0.36 0.00 0.82 0.00 0.00 66.70 64.80 1se2 h VAL 41 Cb 1.23 2.60 -0.08 0.00 -1.52 0.00 0.00 31.29 33.52 1se2 h VAL 41 CO 0.92 0.77 0.92 1.51 0.02 0.00 0.00 177.57 181.71 1se2 s ASP 42 N -6.79 -0.00 0.19 0.57 -4.77 -1.11 -5.02 116.67 99.73 1se2 s ASP 42 Ca -0.12 -0.15 0.08 0.00 -3.30 0.00 0.00 52.55 49.05 1se2 s ASP 42 Cb 0.07 0.12 -0.04 0.00 -1.09 0.00 0.00 42.92 41.97 1se2 s ASP 42 CO 0.82 -0.23 -0.15 -0.54 0.70 0.00 0.00 175.17 175.77 1se2 s LYS 43 N -2.07 1.28 -0.08 2.11 3.01 -1.26 0.12 119.74 122.85 1se2 s LYS 43 Ca 0.27 -1.52 -0.09 0.00 -1.01 0.00 0.00 55.97 53.61 1se2 s LYS 43 Cb 0.01 -1.12 -0.03 0.00 -1.01 0.00 0.00 37.83 35.68 1se2 s LYS 43 CO -0.02 0.19 -0.18 0.34 0.51 0.00 0.00 175.35 176.19 1se2 n PHE 44 N -0.18 0.00 -3.94 3.18 7.35 -1.26 -4.96 117.46 117.65 1se2 n PHE 44 Ca -0.10 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.37 1se2 n PHE 44 Cb 0.60 -0.26 -0.05 0.00 0.35 0.00 0.00 39.48 40.11 1se2 n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1se2 s LEU 45 N -6.84 3.34 0.36 -2.13 1.02 -1.26 -5.04 118.68 108.14 1se2 s LEU 45 Ca -0.15 -0.75 0.12 0.00 0.02 0.00 0.00 54.13 53.37 1se2 s LEU 45 Cb 0.02 -1.86 0.93 0.00 0.02 0.00 0.00 46.19 45.30 1se2 s LEU 45 CO 0.23 -0.41 1.81 0.00 0.02 0.00 0.00 176.35 177.99 1se2 h ALA 46 N 1.36 1.97 -0.00 4.21 0.00 -1.98 -3.10 119.26 121.72 1se2 h ALA 46 Ca -0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1se2 h ALA 46 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1se2 h ALA 46 CO 0.62 -0.31 -0.23 -2.39 0.00 0.00 0.00 179.25 176.95 1se2 n HIS 47 N -4.63 0.00 -3.90 0.00 1.44 -1.26 -4.37 115.22 102.49 1se2 n HIS 47 Ca 0.22 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.69 1se2 n HIS 47 Cb 0.66 -0.28 -0.05 0.00 0.12 0.00 0.00 29.99 30.44 1se2 n HIS 47 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1se2 s ASP 48 N -2.79 4.67 -0.00 4.39 1.47 -1.18 -0.49 116.67 122.74 1se2 s ASP 48 Ca 0.19 -1.00 0.00 0.00 1.18 0.00 0.00 52.55 52.91 1se2 s ASP 48 Cb 0.19 -0.34 0.00 0.00 -0.34 0.00 0.00 42.92 42.44 1se2 s ASP 48 CO 0.57 -0.69 -0.01 -0.76 0.68 0.00 0.00 175.17 174.96 1se2 s LEU 49 N -4.05 1.88 -0.13 2.11 2.01 -0.27 -4.61 118.68 115.63 1se2 s LEU 49 Ca 0.42 -0.02 -0.04 0.00 0.01 0.00 0.00 54.13 54.50 1se2 s LEU 49 Cb 0.00 -0.08 -0.03 0.00 0.01 0.00 0.00 46.19 46.09 1se2 s LEU 49 CO 0.24 -0.00 0.00 -0.63 1.01 0.00 0.00 176.35 176.97 1se2 s ILE 50 N 0.12 4.27 0.16 -0.59 1.01 0.33 -0.97 121.20 125.53 1se2 s ILE 50 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 60.65 60.49 1se2 s ILE 50 Cb -0.02 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1se2 s ILE 50 CO -0.00 0.54 -0.21 -0.31 0.00 0.00 0.00 174.94 174.95 1se2 s TYR 51 N -0.23 2.01 -1.22 3.97 1.51 0.00 -1.34 117.35 122.05 1se2 s TYR 51 Ca 0.05 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.59 1se2 s TYR 51 Cb -0.12 -1.02 0.19 0.00 -0.11 0.00 0.00 41.96 40.89 1se2 s TYR 51 CO 0.02 0.37 1.59 0.09 -1.11 0.00 0.00 175.55 176.50 1se2 n ASN 52 N 0.47 5.30 -4.40 2.29 3.02 -1.26 -1.19 115.26 119.49 1se2 n ASN 52 Ca -0.14 -3.07 -0.39 0.00 -0.03 0.00 0.00 54.58 50.95 1se2 n ASN 52 Cb 0.56 -1.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.12 1se2 n ASN 52 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1se2 s ILE 53 N 0.51 4.45 0.04 2.41 1.01 -0.83 -4.93 121.20 123.86 1se2 s ILE 53 Ca 0.40 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 1se2 s ILE 53 Cb 0.02 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1se2 s ILE 53 CO 0.01 -0.04 0.51 -0.94 0.00 0.00 0.00 174.94 174.48 1se2 s SER 54 N 1.57 6.96 -0.76 3.58 1.04 -1.24 -2.79 113.70 122.06 1se2 s SER 54 Ca 0.03 1.14 -0.26 0.00 0.48 0.00 0.00 55.95 57.35 1se2 s SER 54 Cb -0.18 -2.32 -0.11 0.00 0.10 0.00 0.00 66.02 63.51 1se2 s SER 54 CO 0.06 0.28 2.33 -0.62 0.98 0.00 0.00 173.24 176.26 1se2 s ASP 55 N -1.00 4.17 0.00 7.02 2.15 0.13 -4.71 116.67 124.43 1se2 s ASP 55 Ca 0.27 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.35 1se2 s ASP 55 Cb -0.18 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1se2 s ASP 55 CO 0.17 -3.55 0.35 2.29 -0.17 0.00 0.00 175.17 174.26 1se2 n LYS 56 N 8.86 0.25 0.00 4.34 0.00 -1.26 -3.15 118.16 127.20 1se2 n LYS 56 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 1se2 n LYS 56 Cb 0.46 -1.37 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 1se2 n LYS 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1se2 n LYS 57 N 1.26 0.00 -1.25 -1.58 4.81 -1.26 -5.01 118.16 115.13 1se2 n LYS 57 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1se2 n LYS 57 Cb 0.13 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.13 1se2 n LYS 57 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1se2 n LEU 58 N 0.00 4.74 0.00 3.14 -0.00 -1.26 -4.84 117.00 118.78 1se2 n LEU 58 Ca 0.00 -3.16 0.00 0.00 -0.00 0.00 0.00 56.01 52.85 1se2 n LEU 58 Cb 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.19 1se2 n LEU 58 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 1se2 n LYS 59 N 6.66 0.00 -0.01 1.47 3.00 -1.19 -4.82 118.16 123.28 1se2 n LYS 59 Ca 0.50 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.92 1se2 n LYS 59 Cb 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.27 1se2 n LYS 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1se2 n ASN 60 N 0.00 0.36 -3.46 3.14 5.03 -1.26 -4.95 115.26 114.12 1se2 n ASN 60 Ca 0.00 -0.30 -0.12 0.00 0.87 0.00 0.00 54.58 55.03 1se2 n ASN 60 Cb 0.00 1.68 -0.03 0.00 -1.02 0.00 0.00 39.78 40.42 1se2 n ASN 60 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1se2 s TYR 61 N -3.33 -0.51 0.00 3.10 -0.85 -1.26 -4.10 117.35 110.40 1se2 s TYR 61 Ca -0.03 0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.87 1se2 s TYR 61 Cb 0.14 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.99 1se2 s TYR 61 CO 0.88 -0.80 0.05 -0.25 -1.52 0.00 0.00 175.55 173.91 1se2 n ASP 62 N -0.22 0.10 -4.01 -0.18 9.92 -1.09 0.22 116.55 121.29 1se2 n ASP 62 Ca -0.17 -0.43 -0.17 0.00 -0.53 0.00 0.00 54.79 53.48 1se2 n ASP 62 Cb 0.64 0.55 -0.14 0.00 -0.64 0.00 0.00 41.12 41.52 1se2 n ASP 62 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1se2 s LYS 63 N -0.55 0.63 -0.09 -1.24 1.02 -1.12 -1.96 119.74 116.44 1se2 s LYS 63 Ca 0.00 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 55.67 1se2 s LYS 63 Cb 0.00 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1se2 s LYS 63 CO 0.00 0.16 -0.05 0.08 -0.92 0.00 0.00 175.35 174.62 1se2 s VAL 64 N -0.27 0.77 -0.39 3.17 1.01 -0.33 -2.11 120.40 122.25 1se2 s VAL 64 Ca 0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1se2 s VAL 64 Cb -0.03 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1se2 s VAL 64 CO -0.00 0.32 0.24 -0.75 0.00 0.00 0.00 175.10 174.90 1se2 s LYS 65 N 1.59 2.83 -0.15 2.72 2.20 -0.75 -0.82 119.74 127.37 1se2 s LYS 65 Ca 0.01 -1.12 -0.06 0.00 -0.36 0.00 0.00 55.97 54.44 1se2 s LYS 65 Cb -0.13 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1se2 s LYS 65 CO -0.05 -0.75 0.07 -0.08 -0.36 0.00 0.00 175.35 174.18 1se2 s THR 66 N 1.57 4.88 -0.15 3.43 -1.32 -0.14 -2.47 115.64 121.43 1se2 s THR 66 Ca 0.03 -0.01 -0.09 0.00 -1.21 0.00 0.00 61.69 60.41 1se2 s THR 66 Cb -0.20 -3.15 -0.04 0.00 -1.51 0.00 0.00 72.50 67.60 1se2 s THR 66 CO 0.07 0.53 0.14 -1.61 -2.21 0.00 0.00 174.62 171.54 1se2 s GLU 67 N -0.24 3.77 0.49 7.08 2.02 -0.83 -1.11 118.70 129.88 1se2 s GLU 67 Ca 0.08 -0.15 0.08 0.00 0.02 0.00 0.00 54.97 55.00 1se2 s GLU 67 Cb -0.12 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.85 1se2 s GLU 67 CO 0.01 0.57 0.53 -0.51 0.02 0.00 0.00 175.26 175.88 1se2 s LEU 68 N -0.43 3.17 0.36 1.80 1.43 0.36 -0.89 118.68 124.48 1se2 s LEU 68 Ca 0.12 -0.86 0.26 0.00 -1.03 0.00 0.00 54.13 52.63 1se2 s LEU 68 Cb -0.12 -1.80 1.26 0.00 0.03 0.00 0.00 46.19 45.56 1se2 s LEU 68 CO 0.02 -0.98 1.78 0.25 0.23 0.00 0.00 176.35 177.65 1se2 h LEU 69 N 0.66 0.00 0.00 1.79 5.85 -1.13 -3.45 115.31 119.03 1se2 h LEU 69 Ca -0.37 0.00 0.30 0.00 0.84 0.00 0.00 57.88 58.66 1se2 h LEU 69 Cb 1.28 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 1se2 h LEU 69 CO 0.51 0.00 0.76 -0.46 -0.34 0.00 0.00 178.44 178.91 1se2 n ASN 70 N -2.41 -0.86 -0.16 1.25 0.23 -1.26 -5.01 115.26 107.03 1se2 n ASN 70 Ca -0.00 -1.09 -0.02 0.00 -0.53 0.00 0.00 54.58 52.93 1se2 n ASN 70 Cb 0.13 1.31 0.19 0.00 -2.08 0.00 0.00 39.78 39.33 1se2 n ASN 70 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1se2 h GLU 71 N 0.00 0.90 -0.53 -3.83 4.57 -1.86 -2.60 114.58 111.24 1se2 h GLU 71 Ca -0.16 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 57.79 1se2 h GLU 71 Cb 0.92 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1se2 h GLU 71 CO 0.24 0.75 0.03 -0.44 -1.18 0.00 0.00 179.01 178.40 1se2 h ASP 72 N 0.88 0.88 -0.01 1.04 5.19 -1.95 0.59 116.42 123.03 1se2 h ASP 72 Ca 0.21 -0.29 -0.11 0.00 -0.62 0.00 0.00 57.03 56.21 1se2 h ASP 72 Cb 0.20 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1se2 h ASP 72 CO -0.02 0.96 -0.33 0.25 -3.12 0.00 0.00 179.24 176.98 1se2 h LEU 73 N 0.78 0.50 0.58 1.55 5.85 -1.92 -2.59 115.31 120.06 1se2 h LEU 73 Ca 0.15 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1se2 h LEU 73 Cb 0.49 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1se2 h LEU 73 CO 0.02 0.80 -0.28 0.00 -0.34 0.00 0.00 178.44 178.64 1se2 h ALA 74 N 1.23 -0.78 -1.67 1.25 0.00 -1.07 -3.02 119.26 115.20 1se2 h ALA 74 Ca 0.05 -0.20 0.52 0.00 0.00 0.00 0.00 54.91 55.28 1se2 h ALA 74 Cb 0.78 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 1se2 h ALA 74 CO 0.06 -0.79 1.15 -0.22 0.00 0.00 0.00 179.25 179.45 1se2 h LYS 75 N -1.07 0.01 -0.17 0.00 3.64 -0.82 0.33 116.57 118.48 1se2 h LYS 75 Ca -0.08 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.11 1se2 h LYS 75 Cb 0.65 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1se2 h LYS 75 CO 0.13 0.01 -0.66 -0.22 -2.27 0.00 0.00 179.45 176.44 1se2 h LYS 76 N 0.01 0.66 0.00 1.90 3.64 -1.33 -3.35 116.57 118.11 1se2 h LYS 76 Ca 0.90 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1se2 h LYS 76 Cb 3.28 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 35.19 1se2 h LYS 76 CO -0.23 1.10 -0.94 0.66 -2.27 0.00 0.00 179.45 177.76 1se2 n TYR 77 N -3.93 0.00 -2.52 1.91 4.01 0.11 -4.74 117.16 112.00 1se2 n TYR 77 Ca -0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 1se2 n TYR 77 Cb 0.68 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 1se2 n TYR 77 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1se2 s LYS 78 N -3.00 4.52 0.00 -0.72 2.47 -0.69 -2.19 119.74 120.13 1se2 s LYS 78 Ca 0.08 1.67 0.00 0.00 -1.56 0.00 0.00 55.97 56.16 1se2 s LYS 78 Cb 0.16 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.18 1se2 s LYS 78 CO 0.85 -0.09 0.00 -0.25 0.16 0.00 0.00 175.35 176.02 1se2 n ASP 79 N 3.37 0.00 -4.90 1.43 8.00 -1.26 -4.94 116.55 118.25 1se2 n ASP 79 Ca 0.06 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 1se2 n ASP 79 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1se2 n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1se2 s GLU 80 N -0.48 3.51 -0.40 -1.24 0.41 -0.93 -4.95 118.70 114.62 1se2 s GLU 80 Ca 0.00 -0.22 -0.23 0.00 -0.41 0.00 0.00 54.97 54.11 1se2 s GLU 80 Cb 0.00 -3.05 0.02 0.00 -1.78 0.00 0.00 34.13 29.31 1se2 s GLU 80 CO 0.00 0.63 0.76 0.08 -0.49 0.00 0.00 175.26 176.24 1se2 s VAL 81 N -1.38 4.72 0.14 2.63 1.01 -1.26 -3.95 120.40 122.31 1se2 s VAL 81 Ca 0.30 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.97 1se2 s VAL 81 Cb -0.13 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1se2 s VAL 81 CO 0.20 -0.55 -0.15 0.68 0.00 0.00 0.00 175.10 175.28 1se2 s VAL 82 N 3.13 1.49 0.04 2.92 -7.23 0.89 -1.80 120.40 119.84 1se2 s VAL 82 Ca 0.30 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1se2 s VAL 82 Cb -0.13 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1se2 s VAL 82 CO 0.19 -0.42 0.31 -1.81 -0.31 0.00 0.00 175.10 173.06 1se2 s ASP 83 N -2.61 6.52 0.07 4.85 1.11 0.38 -1.87 116.67 125.12 1se2 s ASP 83 Ca 0.12 0.60 0.05 0.00 0.18 0.00 0.00 52.55 53.50 1se2 s ASP 83 Cb -0.04 -2.10 -0.03 0.00 1.07 0.00 0.00 42.92 41.81 1se2 s ASP 83 CO 0.04 0.21 -0.14 -0.69 1.18 0.00 0.00 175.17 175.77 1se2 s VAL 84 N -1.37 1.08 -0.30 -1.27 1.01 0.31 -1.06 120.40 118.80 1se2 s VAL 84 Ca 0.31 -1.33 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1se2 s VAL 84 Cb -0.13 -1.08 0.16 0.00 0.00 0.00 0.00 36.38 35.33 1se2 s VAL 84 CO 0.18 -0.26 0.82 -0.47 0.00 0.00 0.00 175.10 175.37 1se2 s TYR 85 N -1.39 -1.04 0.10 5.22 6.14 0.52 -2.66 117.35 124.24 1se2 s TYR 85 Ca -0.01 1.52 -0.27 0.00 0.64 0.00 0.00 57.07 58.95 1se2 s TYR 85 Cb -0.09 0.52 0.08 0.00 0.42 0.00 0.00 41.96 42.88 1se2 s TYR 85 CO 0.02 -0.54 0.99 0.20 0.64 0.00 0.00 175.55 176.86 1se2 s GLY 86 N 2.74 -0.30 -0.21 8.97 0.00 -1.02 -4.40 107.32 113.10 1se2 s GLY 86 Ca 0.02 0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.97 1se2 s GLY 86 CO -0.18 0.09 0.40 -0.45 0.00 0.00 0.00 173.10 172.96 1se2 s SER 87 N -2.84 6.43 0.27 1.64 0.15 -1.26 0.74 113.70 118.82 1se2 s SER 87 Ca 0.11 0.50 0.04 0.00 0.70 0.00 0.00 55.95 57.30 1se2 s SER 87 Cb -0.01 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1se2 s SER 87 CO -0.01 -0.09 0.41 0.54 1.20 0.00 0.00 173.24 175.30 1se2 s ASN 88 N 1.09 6.31 0.10 5.45 4.22 -1.26 -4.57 114.94 126.28 1se2 s ASN 88 Ca 0.19 0.17 0.03 0.00 -2.14 0.00 0.00 52.86 51.10 1se2 s ASN 88 Cb -0.15 -1.90 -0.04 0.00 1.28 0.00 0.00 41.25 40.45 1se2 s ASN 88 CO 0.08 -0.14 -0.08 -0.72 -2.04 0.00 0.00 177.10 174.20 1se2 s TYR 89 N -2.07 0.95 -0.02 1.54 1.13 -0.77 -4.90 117.35 113.21 1se2 s TYR 89 Ca 0.36 -0.77 0.07 0.00 -1.41 0.00 0.00 57.07 55.32 1se2 s TYR 89 Cb -0.09 -0.53 -0.11 0.00 -1.10 0.00 0.00 41.96 40.13 1se2 s TYR 89 CO 0.31 -0.07 0.16 0.66 -2.51 0.00 0.00 175.55 174.09 1se2 n TYR 90 N 0.31 0.00 -0.33 -3.49 4.02 -1.26 -2.59 117.16 113.82 1se2 n TYR 90 Ca -0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.66 1se2 n TYR 90 Cb 0.59 -0.15 -0.08 0.00 -0.02 0.00 0.00 39.34 39.68 1se2 n TYR 90 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1se2 h VAL 91 N 0.00 0.00 -2.61 -0.72 3.04 -1.96 -3.40 116.25 110.60 1se2 h VAL 91 Ca 0.00 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 65.10 1se2 h VAL 91 Cb 0.31 0.00 -0.12 0.00 -2.01 0.00 0.00 31.29 29.47 1se2 h VAL 91 CO 0.00 0.00 -0.68 0.20 -1.01 0.00 0.00 177.57 176.08 1se2 s ASN 92 N -5.01 4.41 -0.29 3.17 0.02 -1.26 -5.14 114.94 110.84 1se2 s ASN 92 Ca -0.10 -0.61 -0.22 0.00 -1.02 0.00 0.00 52.86 50.92 1se2 s ASN 92 Cb 0.09 -0.79 0.14 0.00 0.02 0.00 0.00 41.25 40.71 1se2 s ASN 92 CO 0.50 0.06 1.08 0.00 0.02 0.00 0.00 177.10 178.76 1se2 n TYR 94 N 2.63 -3.88 -3.47 0.00 4.11 -1.26 -4.98 117.16 110.31 1se2 n TYR 94 Ca -0.14 0.25 -0.29 0.00 -0.00 0.00 0.00 57.90 57.72 1se2 n TYR 94 Cb 0.57 -1.58 -0.08 0.00 -0.00 0.00 0.00 39.34 38.25 1se2 n TYR 94 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 1se2 n PHE 95 N -1.92 3.51 0.00 -3.48 3.72 -1.26 -5.09 117.46 112.94 1se2 n PHE 95 Ca 0.04 -4.05 0.00 0.00 -0.05 0.00 0.00 57.45 53.38 1se2 n PHE 95 Cb 0.51 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1se2 n PHE 95 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1se2 n SER 96 N 1.13 -0.22 0.00 4.37 7.64 -1.26 -4.62 113.62 120.66 1se2 n SER 96 Ca 0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1se2 n SER 96 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1se2 n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1se2 n SER 97 N -0.33 0.00 -0.69 6.43 7.64 -1.26 -4.67 113.62 120.74 1se2 n SER 97 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1se2 n SER 97 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1se2 n SER 97 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1se2 n LYS 98 N -1.27 -0.60 -3.43 1.43 5.02 -1.26 -4.96 118.16 113.09 1se2 n LYS 98 Ca 0.00 0.74 -0.02 0.00 -2.02 0.00 0.00 58.31 57.01 1se2 n LYS 98 Cb 0.00 -4.61 -0.05 0.00 -0.02 0.00 0.00 35.03 30.35 1se2 n LYS 98 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1se2 s ASP 99 N -2.87 -0.85 -0.04 4.39 -4.77 -1.26 -5.29 116.67 105.97 1se2 s ASP 99 Ca 0.00 1.02 -0.04 0.00 -3.30 0.00 0.00 52.55 50.23 1se2 s ASP 99 Cb 0.00 1.90 0.01 0.00 -1.09 0.00 0.00 42.92 43.75 1se2 s ASP 99 CO 0.00 -0.25 0.08 -0.46 0.70 0.00 0.00 175.17 175.24 1se2 n ASN 100 N 5.42 -5.56 0.00 2.11 2.04 -1.26 -5.10 115.26 112.90 1se2 n ASN 100 Ca -0.06 1.40 0.00 0.00 -0.44 0.00 0.00 54.58 55.48 1se2 n ASN 100 Cb 0.50 -4.53 0.00 0.00 -2.53 0.00 0.00 39.78 33.22 1se2 n ASN 100 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 1se2 n THR 105 N 1.49 0.00 0.00 5.53 -1.04 -1.26 -4.90 114.28 114.10 1se2 n THR 105 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1se2 n THR 105 Cb 0.20 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1se2 n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1se2 n GLY 106 N 0.07 1.05 3.31 3.41 0.00 -1.26 -4.56 105.19 107.21 1se2 n GLY 106 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 1se2 n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1se2 s GLY 107 N 0.00 -0.66 -0.21 -0.02 0.00 -1.26 -4.92 107.32 100.25 1se2 s GLY 107 Ca 0.00 1.79 -0.02 0.00 0.00 0.00 0.00 44.72 46.49 1se2 s GLY 107 CO 0.00 2.93 -0.11 0.54 0.00 0.00 0.00 173.10 176.46 1se2 s LYS 108 N 2.76 3.18 -0.07 2.90 1.02 -1.26 -2.67 119.74 125.60 1se2 s LYS 108 Ca 0.05 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.34 1se2 s LYS 108 Cb -0.13 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1se2 s LYS 108 CO -0.17 -0.22 -0.17 -0.08 -0.92 0.00 0.00 175.35 173.78 1se2 s THR 109 N 1.39 2.77 0.22 2.17 -1.32 -0.90 -4.87 115.64 115.10 1se2 s THR 109 Ca 0.05 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 59.79 1se2 s THR 109 Cb -0.14 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 1se2 s THR 109 CO -0.07 0.57 0.08 0.00 -2.21 0.00 0.00 174.62 172.99 1se2 n MET 111 N -0.66 0.46 -4.31 0.00 0.00 -1.03 -1.85 117.12 109.74 1se2 n MET 111 Ca -0.08 -0.99 -0.18 0.00 0.00 0.00 0.00 57.70 56.45 1se2 n MET 111 Cb 0.57 1.29 -0.14 0.00 0.00 0.00 0.00 33.22 34.94 1se2 n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1se2 s TYR 112 N -4.21 0.93 0.00 3.17 1.51 -1.26 -1.97 117.35 115.52 1se2 s TYR 112 Ca 0.12 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1se2 s TYR 112 Cb -0.02 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1se2 s TYR 112 CO 0.04 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 1se2 n GLY 113 N 2.28 2.08 2.15 0.71 0.00 -0.07 -4.63 105.19 107.71 1se2 n GLY 113 Ca -0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1se2 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1se2 n GLY 114 N 0.00 0.70 3.37 -0.02 0.00 -1.26 -4.80 105.19 103.19 1se2 n GLY 114 Ca 0.00 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 1se2 n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1se2 s ILE 115 N -2.13 3.89 -0.00 -0.61 1.09 -1.26 -0.35 121.20 121.82 1se2 s ILE 115 Ca 0.00 -0.40 0.04 0.00 -1.10 0.00 0.00 60.65 59.20 1se2 s ILE 115 Cb 0.00 -2.84 -0.01 0.00 -1.06 0.00 0.00 42.46 38.54 1se2 s ILE 115 CO 0.00 0.32 -0.14 -0.89 -0.10 0.00 0.00 174.94 174.13 1se2 s THR 116 N 1.54 1.08 0.42 2.92 2.01 -0.23 -4.98 115.64 118.40 1se2 s THR 116 Ca 0.05 -0.65 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 1se2 s THR 116 Cb -0.15 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.36 1se2 s THR 116 CO 0.01 0.25 1.04 -0.54 -0.69 0.00 0.00 174.62 174.69 1se2 s LYS 117 N -0.45 4.09 0.10 4.92 3.01 -1.26 0.14 119.74 130.30 1se2 s LYS 117 Ca 0.05 1.45 -0.10 0.00 -1.01 0.00 0.00 55.97 56.36 1se2 s LYS 117 Cb -0.06 -2.42 -0.15 0.00 -1.01 0.00 0.00 37.83 34.19 1se2 s LYS 117 CO -0.00 -0.19 1.27 1.25 0.51 0.00 0.00 175.35 178.18 1se2 h HIS 118 N 2.26 0.89 -1.32 3.18 -0.00 -1.66 -3.40 115.15 115.11 1se2 h HIS 118 Ca -0.49 -0.46 -0.63 0.00 -0.00 0.00 0.00 60.37 58.79 1se2 h HIS 118 Cb 1.21 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.50 1se2 h HIS 118 CO 0.58 1.28 1.46 -1.91 -0.00 0.00 0.00 177.93 179.34 1se2 n GLU 119 N -3.84 1.27 -2.75 5.26 4.07 -1.26 -2.81 120.64 120.58 1se2 n GLU 119 Ca -0.09 0.33 -0.20 0.00 -0.06 0.00 0.00 57.16 57.15 1se2 n GLU 119 Cb 0.83 -2.69 0.01 0.00 -0.06 0.00 0.00 31.44 29.52 1se2 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1se2 n GLY 120 N 6.32 -0.51 0.50 8.31 0.00 -1.26 -4.86 105.19 113.70 1se2 n GLY 120 Ca 0.39 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.52 1se2 n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1se2 n ASN 121 N -2.17 2.11 -4.80 1.61 2.85 -1.12 -4.90 115.26 108.83 1se2 n ASN 121 Ca -0.15 -1.56 -0.22 0.00 -0.11 0.00 0.00 54.58 52.55 1se2 n ASN 121 Cb 0.63 -0.03 -0.05 0.00 1.24 0.00 0.00 39.78 41.57 1se2 n ASN 121 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1se2 s HIS 122 N -0.99 3.06 0.45 1.20 3.76 -1.26 0.33 115.29 121.83 1se2 s HIS 122 Ca 0.15 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.76 1se2 s HIS 122 Cb 0.10 -1.38 -0.09 0.00 1.11 0.00 0.00 32.58 32.32 1se2 s HIS 122 CO 0.15 0.53 0.91 -0.06 -0.85 0.00 0.00 174.74 175.42 1se2 s PHE 123 N -2.16 3.39 0.38 1.40 0.08 -1.23 -4.83 117.98 115.01 1se2 s PHE 123 Ca 0.33 1.44 0.14 0.00 0.12 0.00 0.00 56.93 58.96 1se2 s PHE 123 Cb -0.08 -2.74 0.99 0.00 -0.57 0.00 0.00 43.02 40.62 1se2 s PHE 123 CO 0.24 -0.18 1.81 0.38 -0.10 0.00 0.00 175.22 177.38 1se2 h ASP 124 N 1.50 0.53 -3.31 1.36 3.04 -1.99 -3.39 116.42 114.16 1se2 h ASP 124 Ca -0.48 0.07 -0.28 0.00 -3.24 0.00 0.00 57.03 53.10 1se2 h ASP 124 Cb 1.18 -0.03 -0.34 0.00 -1.04 0.00 0.00 39.33 39.10 1se2 h ASP 124 CO 0.62 0.18 -0.64 0.20 -2.04 0.00 0.00 179.24 177.56 1se2 s ASN 125 N -5.49 0.32 0.00 4.15 0.01 -1.26 -5.15 114.94 107.53 1se2 s ASN 125 Ca -0.09 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1se2 s ASN 125 Cb 0.24 0.16 0.00 0.00 0.41 0.00 0.00 41.25 42.06 1se2 s ASN 125 CO 0.79 -0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.80 1se2 n GLY 126 N 4.70 1.17 3.40 0.66 0.00 -1.26 -4.32 105.19 109.55 1se2 n GLY 126 Ca -0.17 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 1se2 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1se2 s ASN 127 N -3.97 6.18 0.56 1.61 -0.87 -1.26 -4.42 114.94 112.77 1se2 s ASN 127 Ca 0.00 -1.27 -0.15 0.00 -1.57 0.00 0.00 52.86 49.86 1se2 s ASN 127 Cb 0.00 -2.34 -0.06 0.00 -0.02 0.00 0.00 41.25 38.83 1se2 s ASN 127 CO 0.00 -1.20 1.01 -0.22 -2.57 0.00 0.00 177.10 174.12 1se2 s LEU 128 N 3.10 3.53 0.00 0.60 0.20 -1.19 -4.12 118.68 120.79 1se2 s LEU 128 Ca 0.15 1.62 0.00 0.00 0.69 0.00 0.00 54.13 56.59 1se2 s LEU 128 Cb -0.22 -4.51 0.00 0.00 -0.43 0.00 0.00 46.19 41.03 1se2 s LEU 128 CO 0.08 -0.81 0.00 1.67 -0.29 0.00 0.00 176.35 177.00 1se2 n GLN 129 N -1.90 -0.75 -0.44 1.98 -0.06 -1.26 -4.23 117.38 110.72 1se2 n GLN 129 Ca 0.07 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.99 1se2 n GLN 129 Cb 0.54 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.66 1se2 n GLN 129 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1se2 n ASN 130 N 0.25 -0.27 -2.78 1.69 2.04 -1.26 -4.50 115.26 110.44 1se2 n ASN 130 Ca 0.00 -0.09 -0.39 0.00 -0.44 0.00 0.00 54.58 53.65 1se2 n ASN 130 Cb 0.00 -0.19 -0.07 0.00 -2.53 0.00 0.00 39.78 36.99 1se2 n ASN 130 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1se2 n VAL 131 N 1.78 0.00 -2.83 3.53 0.31 -0.33 -3.94 118.33 116.85 1se2 n VAL 131 Ca 0.20 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.15 1se2 n VAL 131 Cb 0.03 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.58 1se2 n VAL 131 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1se2 s LEU 132 N 3.19 4.39 -0.09 7.52 2.96 -1.26 0.57 118.68 135.97 1se2 s LEU 132 Ca 0.73 1.78 0.02 0.00 -0.22 0.00 0.00 54.13 56.44 1se2 s LEU 132 Cb -0.95 -3.86 0.01 0.00 0.50 0.00 0.00 46.19 41.89 1se2 s LEU 132 CO 0.45 -0.01 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.68 1se2 s ILE 133 N -1.52 1.45 -0.22 6.68 1.01 0.16 -4.16 121.20 124.61 1se2 s ILE 133 Ca 0.47 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1se2 s ILE 133 Cb -0.20 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1se2 s ILE 133 CO 0.25 0.43 0.29 -0.13 0.00 0.00 0.00 174.94 175.77 1se2 s ARG 134 N 0.75 4.13 -0.13 2.79 0.52 -0.69 -1.78 118.95 124.56 1se2 s ARG 134 Ca -0.12 -0.01 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 1se2 s ARG 134 Cb -0.16 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 1se2 s ARG 134 CO 0.02 0.02 -0.06 0.08 0.02 0.00 0.00 175.30 175.39 1se2 s VAL 135 N 1.15 3.76 -0.20 3.52 1.01 -0.68 -0.00 120.40 128.96 1se2 s VAL 135 Ca 0.14 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1se2 s VAL 135 Cb -0.14 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.67 1se2 s VAL 135 CO 0.06 0.53 -0.13 -0.31 0.00 0.00 0.00 175.10 175.25 1se2 s TYR 136 N -0.01 2.62 -0.41 5.22 1.51 0.37 -0.87 117.35 125.78 1se2 s TYR 136 Ca 0.00 -1.70 -0.08 0.00 -1.01 0.00 0.00 57.07 54.27 1se2 s TYR 136 Cb -0.13 -1.75 0.08 0.00 -0.11 0.00 0.00 41.96 40.05 1se2 s TYR 136 CO 0.03 -0.78 0.24 -1.21 -1.11 0.00 0.00 175.55 172.72 1se2 s GLU 137 N 1.33 2.57 -0.50 -0.62 0.41 0.16 -0.19 118.70 121.85 1se2 s GLU 137 Ca -0.01 -1.45 -0.12 0.00 -0.41 0.00 0.00 54.97 52.98 1se2 s GLU 137 Cb -0.16 -3.73 0.02 0.00 -1.78 0.00 0.00 34.13 28.47 1se2 s GLU 137 CO -0.09 -0.93 0.62 0.09 -0.49 0.00 0.00 175.26 174.46 1se2 n ASN 138 N 4.88 -7.93 0.00 -0.19 3.02 -1.04 -3.82 115.26 110.19 1se2 n ASN 138 Ca -0.10 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1se2 n ASN 138 Cb 0.43 -5.38 0.00 0.00 -0.61 0.00 0.00 39.78 34.22 1se2 n ASN 138 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1se2 n LYS 139 N -0.65 0.00 0.00 3.52 0.00 -1.26 -4.86 118.16 114.90 1se2 n LYS 139 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1se2 n LYS 139 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.50 1se2 n LYS 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1se2 n ARG 140 N 0.00 0.00 -3.02 1.64 3.00 -1.25 -4.48 116.66 112.55 1se2 n ARG 140 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1se2 n ARG 140 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1se2 n ARG 140 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1se2 s ASN 141 N 0.00 6.83 0.00 0.55 2.47 -1.26 0.37 114.94 123.90 1se2 s ASN 141 Ca 0.00 1.01 0.00 0.00 0.42 0.00 0.00 52.86 54.29 1se2 s ASN 141 Cb 0.00 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1se2 s ASN 141 CO 0.00 -0.31 0.00 0.35 -3.72 0.00 0.00 177.10 173.42 1se2 n THR 142 N 4.60 0.00 -4.22 -5.21 -2.24 -0.05 -4.96 114.28 102.21 1se2 n THR 142 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1se2 n THR 142 Cb 0.49 -0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 68.05 1se2 n THR 142 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1se2 s ILE 143 N -1.92 0.07 -0.30 2.28 -1.09 -1.24 -5.03 121.20 113.97 1se2 s ILE 143 Ca 0.00 -2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 56.26 1se2 s ILE 143 Cb 0.00 -2.52 0.17 0.00 -1.58 0.00 0.00 42.46 38.53 1se2 s ILE 143 CO 0.00 0.00 1.03 -0.44 -1.23 0.00 0.00 174.94 174.30 1se2 s SER 144 N -3.19 -0.50 0.19 3.58 0.01 -1.25 -1.69 113.70 110.86 1se2 s SER 144 Ca 0.39 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.36 1se2 s SER 144 Cb 0.07 1.52 -0.05 0.00 0.21 0.00 0.00 66.02 67.78 1se2 s SER 144 CO 0.13 -0.10 0.02 0.72 0.41 0.00 0.00 173.24 174.42 1se2 s PHE 145 N 2.25 1.28 0.19 2.43 -0.71 -0.73 -4.94 117.98 117.75 1se2 s PHE 145 Ca -0.03 -1.05 0.09 0.00 -1.04 0.00 0.00 56.93 54.90 1se2 s PHE 145 Cb -0.05 -0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 40.99 1se2 s PHE 145 CO -0.17 -0.23 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.16 1se2 s GLU 146 N -3.94 2.01 -0.04 1.99 2.02 -1.26 0.39 118.70 119.86 1se2 s GLU 146 Ca 0.27 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 53.96 1se2 s GLU 146 Cb 0.06 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.19 1se2 s GLU 146 CO 0.06 0.42 -0.10 0.14 0.02 0.00 0.00 175.26 175.80 1se2 s VAL 147 N -1.78 0.94 0.16 2.63 -7.23 0.19 -4.93 120.40 110.39 1se2 s VAL 147 Ca 0.25 -0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.86 1se2 s VAL 147 Cb -0.08 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.93 1se2 s VAL 147 CO 0.15 0.30 0.59 -1.10 -0.31 0.00 0.00 175.10 174.73 1se2 s GLN 148 N 0.44 4.04 -0.07 4.82 -1.52 -1.26 -1.19 119.66 124.92 1se2 s GLN 148 Ca -0.08 0.57 -0.06 0.00 -1.95 0.00 0.00 55.36 53.84 1se2 s GLN 148 Cb -0.12 -2.91 0.02 0.00 -0.22 0.00 0.00 33.01 29.77 1se2 s GLN 148 CO 0.02 0.46 0.18 -0.08 -0.25 0.00 0.00 175.29 175.62 1se2 s THR 149 N -1.48 -0.00 -0.42 -0.19 -1.32 -1.26 -4.97 115.64 105.99 1se2 s THR 149 Ca 0.39 0.02 0.14 0.00 -1.21 0.00 0.00 61.69 61.03 1se2 s THR 149 Cb -0.15 -0.27 0.79 0.00 -1.51 0.00 0.00 72.50 71.36 1se2 s THR 149 CO 0.19 0.01 1.70 -0.90 -2.21 0.00 0.00 174.62 173.41 1se2 n ASP 150 N 3.11 5.47 -4.27 8.08 5.75 -1.26 -3.19 116.55 130.24 1se2 n ASP 150 Ca -0.14 -2.83 -0.24 0.00 -0.01 0.00 0.00 54.79 51.58 1se2 n ASP 150 Cb 0.58 -0.67 -0.13 0.00 -1.03 0.00 0.00 41.12 39.88 1se2 n ASP 150 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1se2 s LYS 151 N -2.57 1.14 -0.08 0.11 -2.85 -1.25 -3.53 119.74 110.71 1se2 s LYS 151 Ca 0.53 -1.10 -0.27 0.00 -1.00 0.00 0.00 55.97 54.13 1se2 s LYS 151 Cb 0.39 -1.36 -0.24 0.00 -2.06 0.00 0.00 37.83 34.57 1se2 s LYS 151 CO 0.17 0.32 0.98 0.87 0.10 0.00 0.00 175.35 177.79 1se2 h LYS 152 N 4.26 0.06 -3.87 1.78 1.57 -0.44 -3.39 116.57 116.53 1se2 h LYS 152 Ca -0.45 -0.07 -0.76 0.00 -1.87 0.00 0.00 60.65 57.50 1se2 h LYS 152 Cb 1.18 0.02 -0.28 0.00 0.08 0.00 0.00 32.23 33.23 1se2 h LYS 152 CO 0.40 0.85 -0.08 0.45 -0.57 0.00 0.00 179.45 180.50 1se2 s SER 153 N -6.13 6.29 0.07 0.86 0.15 -1.26 -2.05 113.70 111.63 1se2 s SER 153 Ca -0.17 -2.51 -0.01 0.00 0.70 0.00 0.00 55.95 53.96 1se2 s SER 153 Cb -0.01 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1se2 s SER 153 CO 0.70 -0.59 0.24 0.54 1.20 0.00 0.00 173.24 175.33 1se2 s VAL 154 N 0.46 5.35 0.45 4.45 0.11 -1.22 -4.79 120.40 125.21 1se2 s VAL 154 Ca 0.14 -0.29 -0.24 0.00 -2.93 0.00 0.00 61.98 58.66 1se2 s VAL 154 Cb -0.17 -3.62 -0.08 0.00 -1.53 0.00 0.00 36.38 30.99 1se2 s VAL 154 CO -0.05 0.14 1.23 0.42 -3.33 0.00 0.00 175.10 173.51 1se2 s THR 155 N -1.52 2.83 0.45 5.04 -4.23 -1.26 -1.11 115.64 115.83 1se2 s THR 155 Ca 0.35 0.67 0.13 0.00 -1.18 0.00 0.00 61.69 61.65 1se2 s THR 155 Cb -0.13 -3.36 0.21 0.00 1.34 0.00 0.00 72.50 70.56 1se2 s THR 155 CO 0.27 0.04 2.02 0.00 -0.54 0.00 0.00 174.62 176.41 1se2 h ALA 156 N 2.24 1.73 -0.28 3.99 0.00 -1.25 -2.52 119.26 123.18 1se2 h ALA 156 Ca -0.50 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1se2 h ALA 156 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1se2 h ALA 156 CO 0.61 0.20 0.15 0.37 0.00 0.00 0.00 179.25 180.58 1se2 h GLN 157 N 0.13 0.30 -0.54 0.00 4.15 -1.90 0.02 115.11 117.27 1se2 h GLN 157 Ca 0.03 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.48 1se2 h GLN 157 Cb 0.19 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1se2 h GLN 157 CO 0.01 0.20 0.28 1.49 -1.93 0.00 0.00 178.83 178.87 1se2 h GLU 158 N 0.31 0.52 -0.41 1.69 4.81 -1.69 0.16 114.58 119.96 1se2 h GLU 158 Ca 0.11 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1se2 h GLU 158 Cb 0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1se2 h GLU 158 CO -0.07 0.34 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.28 1se2 h LEU 159 N 0.53 0.83 -0.70 1.64 3.38 -1.43 -1.34 115.31 118.22 1se2 h LEU 159 Ca 0.24 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1se2 h LEU 159 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1se2 h LEU 159 CO -0.17 1.02 0.25 -0.78 0.09 0.00 0.00 178.44 178.85 1se2 h ASP 160 N 0.72 1.00 0.07 -0.43 1.82 -0.54 0.11 116.42 119.17 1se2 h ASP 160 Ca 0.10 -0.19 -0.14 0.00 -0.39 0.00 0.00 57.03 56.41 1se2 h ASP 160 Cb 0.73 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1se2 h ASP 160 CO 0.06 0.92 -0.49 0.40 -1.61 0.00 0.00 179.24 178.52 1se2 h ILE 161 N 1.02 1.32 0.00 2.25 2.04 -0.34 -2.36 117.51 121.44 1se2 h ILE 161 Ca 0.23 -1.70 -0.12 0.00 1.00 0.00 0.00 64.86 64.26 1se2 h ILE 161 Cb 0.26 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1se2 h ILE 161 CO -0.01 0.53 -0.60 0.11 0.00 0.00 0.00 178.15 178.17 1se2 h LYS 162 N 0.38 0.00 0.02 2.37 1.57 -1.07 -2.74 116.57 117.10 1se2 h LYS 162 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1se2 h LYS 162 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1se2 h LYS 162 CO 0.09 0.58 -0.01 0.00 -0.57 0.00 0.00 179.45 179.54 1se2 h ALA 163 N 1.42 -0.03 -0.44 3.86 0.00 -0.62 -3.06 119.26 120.39 1se2 h ALA 163 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1se2 h ALA 163 Cb 1.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1se2 h ALA 163 CO 0.08 -0.27 0.28 0.00 0.00 0.00 0.00 179.25 179.34 1se2 h ARG 164 N -0.52 0.59 -0.49 0.00 3.08 -1.54 -2.44 114.38 113.06 1se2 h ARG 164 Ca -0.00 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.10 1se2 h ARG 164 Cb 0.50 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 1se2 h ARG 164 CO 0.00 0.41 -0.03 -0.97 -1.07 0.00 0.00 179.97 178.31 1se2 h ASN 165 N 0.59 -0.27 -0.43 7.04 -0.73 -1.54 0.18 115.58 120.42 1se2 h ASN 165 Ca 0.16 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.45 1se2 h ASN 165 Cb -0.04 0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1se2 h ASN 165 CO -0.03 -0.10 0.23 0.15 -0.37 0.00 0.00 177.43 177.31 1se2 h PHE 166 N 0.08 0.59 -0.43 0.67 3.04 -1.40 -2.51 116.94 116.98 1se2 h PHE 166 Ca 0.25 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 1se2 h PHE 166 Cb 0.37 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1se2 h PHE 166 CO -0.34 0.46 0.21 -0.07 -2.02 0.00 0.00 178.31 176.55 1se2 h LEU 167 N 0.55 0.56 -1.14 0.59 3.38 -0.83 -2.52 115.31 115.90 1se2 h LEU 167 Ca 0.15 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1se2 h LEU 167 Cb 0.07 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1se2 h LEU 167 CO -0.02 0.53 0.60 0.40 0.09 0.00 0.00 178.44 180.03 1se2 h ILE 168 N 0.55 0.99 0.01 1.22 2.04 -0.41 0.65 117.51 122.57 1se2 h ILE 168 Ca 0.15 -0.33 -0.18 0.00 1.00 0.00 0.00 64.86 65.50 1se2 h ILE 168 Cb 0.12 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1se2 h ILE 168 CO -0.02 0.18 -0.70 0.78 0.00 0.00 0.00 178.15 178.39 1se2 h ASN 169 N 0.96 0.60 0.00 1.72 2.35 -1.23 -2.98 115.58 117.01 1se2 h ASN 169 Ca 0.42 -0.76 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 1se2 h ASN 169 Cb 0.35 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1se2 h ASN 169 CO -0.18 1.29 -1.77 0.29 -1.65 0.00 0.00 177.43 175.41 1se2 n LYS 170 N -4.14 0.55 0.00 0.81 4.76 -0.97 -4.48 118.16 114.68 1se2 n LYS 170 Ca -0.11 -0.14 0.04 0.00 -2.87 0.00 0.00 58.31 55.23 1se2 n LYS 170 Cb 0.72 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 32.51 1se2 n LYS 170 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1se2 n LYS 171 N -2.10 2.54 -3.68 1.97 4.76 0.21 -5.00 118.16 116.86 1se2 n LYS 171 Ca -0.04 -0.46 -0.27 0.00 -2.87 0.00 0.00 58.31 54.67 1se2 n LYS 171 Cb 0.46 -1.01 0.04 0.00 -1.84 0.00 0.00 35.03 32.68 1se2 n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1se2 n ASN 172 N -0.44 -5.44 -0.29 4.39 3.02 -0.18 -4.86 115.26 111.46 1se2 n ASN 172 Ca 0.03 -0.62 0.07 0.00 -0.03 0.00 0.00 54.58 54.03 1se2 n ASN 172 Cb 0.17 -4.33 0.18 0.00 -0.61 0.00 0.00 39.78 35.19 1se2 n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1se2 h LEU 173 N -2.15 -0.50 -8.43 3.41 5.85 -1.70 -3.38 115.31 108.41 1se2 h LEU 173 Ca -0.56 0.23 -0.56 0.00 0.84 0.00 0.00 57.88 57.84 1se2 h LEU 173 Cb 1.37 0.43 -0.27 0.00 0.37 0.00 0.00 40.66 42.56 1se2 h LEU 173 CO 0.62 -0.25 -0.83 -0.31 -0.34 0.00 0.00 178.44 177.32 1se2 s TYR 174 N -6.12 1.66 0.22 1.25 2.02 -1.26 -4.36 117.35 110.76 1se2 s TYR 174 Ca -0.14 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1se2 s TYR 174 Cb 0.25 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1se2 s TYR 174 CO 0.76 0.03 0.11 -0.85 -1.57 0.00 0.00 175.55 174.03 1se2 n GLU 175 N 2.22 0.58 0.04 -0.62 0.28 -0.95 -4.89 120.64 117.29 1se2 n GLU 175 Ca -0.16 -1.95 -0.14 0.00 -0.16 0.00 0.00 57.16 54.74 1se2 n GLU 175 Cb 0.54 1.22 -0.04 0.00 1.43 0.00 0.00 31.44 34.59 1se2 n GLU 175 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1se2 h PHE 176 N 1.45 0.78 0.00 -1.84 3.57 -1.95 -2.80 116.94 116.16 1se2 h PHE 176 Ca -0.17 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 60.95 1se2 h PHE 176 Cb 0.69 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1se2 h PHE 176 CO 0.00 1.19 0.00 0.09 -2.23 0.00 0.00 178.31 177.36 1se2 n ASN 177 N -3.84 0.00 0.00 0.41 4.13 -1.26 -2.62 115.26 112.08 1se2 n ASN 177 Ca -0.07 0.47 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1se2 n ASN 177 Cb 0.78 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 1se2 n ASN 177 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1se2 n SER 178 N -1.67 0.14 -4.05 6.41 7.64 -1.26 -2.14 113.62 118.68 1se2 n SER 178 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1se2 n SER 178 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1se2 n SER 178 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1se2 s SER 179 N 1.08 0.55 0.46 6.43 0.15 -1.26 -2.25 113.70 118.86 1se2 s SER 179 Ca 0.00 -0.71 0.23 0.00 0.70 0.00 0.00 55.95 56.17 1se2 s SER 179 Cb 0.00 0.11 1.09 0.00 -1.71 0.00 0.00 66.02 65.51 1se2 s SER 179 CO 0.00 -0.38 1.92 -0.65 1.20 0.00 0.00 173.24 175.33 1se2 h PRO 180 N 4.00 0.00 -5.80 5.44 0.11 -1.76 -3.44 132.00 130.55 1se2 h PRO 180 Ca -0.34 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.11 1se2 h PRO 180 Cb 1.18 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1se2 h PRO 180 CO 0.51 0.22 -0.52 0.71 -0.21 0.00 0.00 178.00 178.71 1se2 s TYR 181 N -3.96 3.46 -0.14 0.65 2.02 -1.26 -0.58 117.35 117.54 1se2 s TYR 181 Ca -0.01 0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 56.87 1se2 s TYR 181 Cb 0.12 -1.86 -0.18 0.00 -0.40 0.00 0.00 41.96 39.65 1se2 s TYR 181 CO 0.63 0.64 0.48 1.49 -1.57 0.00 0.00 175.55 177.22 1se2 h GLU 182 N 4.61 0.00 -5.52 -0.62 4.57 0.47 -3.41 114.58 114.68 1se2 h GLU 182 Ca -0.52 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 57.02 1se2 h GLU 182 Cb 1.21 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.69 1se2 h GLU 182 CO 0.60 0.70 -0.46 0.95 -1.18 0.00 0.00 179.01 179.63 1se2 s THR 183 N -2.06 1.49 0.00 0.32 -4.23 -1.04 -1.70 115.64 108.41 1se2 s THR 183 Ca -0.15 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1se2 s THR 183 Cb -0.01 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1se2 s THR 183 CO 0.48 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 1se2 n GLY 184 N -1.38 1.81 3.48 3.99 0.00 -1.26 -3.25 105.19 108.58 1se2 n GLY 184 Ca -0.11 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1se2 n GLY 184 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1se2 s TYR 185 N -1.20 -0.60 -0.26 1.61 -0.85 -0.38 -0.99 117.35 114.69 1se2 s TYR 185 Ca 0.00 1.27 -0.09 0.00 -0.52 0.00 0.00 57.07 57.73 1se2 s TYR 185 Cb 0.00 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1se2 s TYR 185 CO 0.00 -0.43 0.12 -1.50 -1.52 0.00 0.00 175.55 172.21 1se2 s ILE 186 N -0.44 4.75 -0.16 -3.49 2.07 -0.65 -0.48 121.20 122.80 1se2 s ILE 186 Ca -0.06 -0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.11 1se2 s ILE 186 Cb -0.03 -3.24 -0.03 0.00 0.13 0.00 0.00 42.46 39.30 1se2 s ILE 186 CO 0.05 0.31 -0.02 -0.75 -1.91 0.00 0.00 174.94 172.62 1se2 s LYS 187 N 1.60 3.73 -0.23 3.50 2.47 0.14 -1.05 119.74 129.91 1se2 s LYS 187 Ca 0.06 -0.48 -0.06 0.00 -1.56 0.00 0.00 55.97 53.93 1se2 s LYS 187 Cb -0.15 -2.98 -0.02 0.00 -1.46 0.00 0.00 37.83 33.22 1se2 s LYS 187 CO 0.06 0.25 0.02 -0.06 0.16 0.00 0.00 175.35 175.78 1se2 s PHE 188 N 0.37 3.03 -0.28 4.03 0.40 0.89 -0.54 117.98 125.89 1se2 s PHE 188 Ca -0.03 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 55.74 1se2 s PHE 188 Cb -0.14 -2.16 0.06 0.00 0.51 0.00 0.00 43.02 41.30 1se2 s PHE 188 CO 0.02 -0.38 -0.07 0.42 0.70 0.00 0.00 175.22 175.91 1se2 s ILE 189 N 1.40 2.32 0.58 0.64 1.09 0.25 -2.23 121.20 125.25 1se2 s ILE 189 Ca 0.05 -1.68 -0.17 0.00 -1.10 0.00 0.00 60.65 57.75 1se2 s ILE 189 Cb -0.15 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.81 1se2 s ILE 189 CO 0.01 -0.11 1.09 -1.61 -0.10 0.00 0.00 174.94 174.23 1se2 s GLU 190 N 1.10 3.25 0.65 2.79 2.02 0.19 -1.16 118.70 127.55 1se2 s GLU 190 Ca -0.06 1.41 0.34 0.00 0.02 0.00 0.00 54.97 56.68 1se2 s GLU 190 Cb -0.20 -2.01 1.86 0.00 0.10 0.00 0.00 34.13 33.89 1se2 s GLU 190 CO -0.05 -0.89 2.05 -2.95 0.02 0.00 0.00 175.26 173.44 1se2 h ASN 191 N 0.74 0.00 0.21 -0.19 -0.00 -1.87 0.61 115.58 115.08 1se2 h ASN 191 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 1se2 h ASN 191 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1se2 h ASN 191 CO 0.56 0.00 -0.23 -0.46 -0.00 0.00 0.00 177.43 177.30 1se2 n ASN 192 N -2.91 1.08 0.00 6.14 6.94 -1.26 -4.92 115.26 120.34 1se2 n ASN 192 Ca -0.02 -0.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.58 1se2 n ASN 192 Cb 0.27 0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 1se2 n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1se2 n GLY 193 N 1.33 2.08 3.67 4.83 0.00 0.21 -5.04 105.19 112.27 1se2 n GLY 193 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1se2 n GLY 193 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1se2 n ASN 194 N 0.00 2.73 -4.12 1.61 4.05 -1.25 -4.72 115.26 113.56 1se2 n ASN 194 Ca 0.00 1.15 -0.18 0.00 0.45 0.00 0.00 54.58 56.00 1se2 n ASN 194 Cb 0.00 -1.43 -0.13 0.00 1.23 0.00 0.00 39.78 39.45 1se2 n ASN 194 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1se2 s THR 195 N -0.22 0.94 -0.01 -0.44 -1.32 -1.26 -0.64 115.64 112.70 1se2 s THR 195 Ca 0.66 -1.02 -0.28 0.00 -1.21 0.00 0.00 61.69 59.84 1se2 s THR 195 Cb -0.64 -0.89 0.09 0.00 -1.51 0.00 0.00 72.50 69.55 1se2 s THR 195 CO 0.52 -0.11 0.80 0.72 -2.21 0.00 0.00 174.62 174.34 1se2 s PHE 196 N -0.98 -0.46 0.17 9.09 -0.71 -0.95 0.85 117.98 124.99 1se2 s PHE 196 Ca -0.01 0.52 -0.07 0.00 -1.04 0.00 0.00 56.93 56.32 1se2 s PHE 196 Cb -0.08 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.21 1se2 s PHE 196 CO 0.01 -0.58 0.25 1.67 -1.34 0.00 0.00 175.22 175.23 1se2 s TRP 197 N -2.44 0.52 -0.02 3.49 1.48 -1.26 -0.08 118.94 120.63 1se2 s TRP 197 Ca -0.01 -0.87 0.04 0.00 -1.06 0.00 0.00 56.10 54.20 1se2 s TRP 197 Cb -0.01 -0.14 -0.00 0.00 -1.16 0.00 0.00 33.47 32.16 1se2 s TRP 197 CO -0.04 -0.71 -0.13 0.71 -4.06 0.00 0.00 176.95 172.72 1se2 s TYR 198 N -4.00 1.26 0.08 1.66 2.02 -0.22 -4.96 117.35 113.20 1se2 s TYR 198 Ca 0.20 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.30 1se2 s TYR 198 Cb 0.04 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.70 1se2 s TYR 198 CO 0.02 -0.08 1.14 0.34 -1.57 0.00 0.00 175.55 175.40 1se2 s ASP 199 N -0.08 7.17 0.04 2.29 -1.08 -1.26 -1.63 116.67 122.12 1se2 s ASP 199 Ca 0.01 1.97 0.24 0.00 -0.52 0.00 0.00 52.55 54.24 1se2 s ASP 199 Cb -0.08 -2.58 0.21 0.00 -1.46 0.00 0.00 42.92 39.01 1se2 s ASP 199 CO 0.00 -0.37 1.18 0.23 0.52 0.00 0.00 175.17 176.73 1se2 n MET 200 N 3.55 0.18 -3.67 4.34 2.81 -0.16 -4.93 117.12 119.24 1se2 n MET 200 Ca 0.07 0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.63 1se2 n MET 200 Cb 0.47 -1.57 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 1se2 n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1se2 s MET 201 N -3.11 3.67 0.57 0.03 -1.94 -1.26 -4.99 119.30 112.26 1se2 s MET 201 Ca 0.07 0.04 -0.18 0.00 -1.71 0.00 0.00 55.69 53.91 1se2 s MET 201 Cb 0.15 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 1se2 s MET 201 CO 0.76 0.61 1.12 -1.25 -0.01 0.00 0.00 175.02 176.25 1se2 s PRO 202 N -1.83 3.23 0.70 2.03 0.04 -1.26 -4.73 135.00 133.17 1se2 s PRO 202 Ca 0.30 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 1se2 s PRO 202 Cb -0.14 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1se2 s PRO 202 CO 0.17 -0.94 1.15 0.00 0.04 0.00 0.00 177.00 177.42 1se2 s ALA 203 N -1.92 2.30 -0.15 8.56 0.00 -1.26 -4.30 121.76 124.99 1se2 s ALA 203 Ca 0.71 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 1se2 s ALA 203 Cb -0.23 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1se2 s ALA 203 CO 0.30 -1.56 1.77 -2.14 0.00 0.00 0.00 175.76 174.13 1se2 s PRO 204 N -4.07 3.83 0.00 0.00 0.02 -1.26 -4.38 135.00 129.13 1se2 s PRO 204 Ca 0.69 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1se2 s PRO 204 Cb -0.24 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.19 1se2 s PRO 204 CO 0.44 -1.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.25 1se2 n GLY 205 N 4.70 -1.20 0.13 0.52 0.00 -1.04 -4.91 105.19 103.39 1se2 n GLY 205 Ca 0.20 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1se2 n GLY 205 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1se2 n ASP 206 N 2.15 1.95 -4.89 1.61 -0.08 -1.26 0.18 116.55 116.21 1se2 n ASP 206 Ca 0.00 0.27 -0.30 0.00 -1.51 0.00 0.00 54.79 53.24 1se2 n ASP 206 Cb 0.00 -0.79 -0.04 0.00 2.34 0.00 0.00 41.12 42.63 1se2 n ASP 206 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1se2 s LYS 207 N -2.48 3.71 -0.13 -0.67 -0.14 -1.26 -1.20 119.74 117.56 1se2 s LYS 207 Ca -0.34 0.13 -0.01 0.00 -1.36 0.00 0.00 55.97 54.39 1se2 s LYS 207 Cb 0.11 -2.64 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1se2 s LYS 207 CO 0.56 0.26 -0.11 0.12 -0.76 0.00 0.00 175.35 175.41 1se2 s PHE 208 N -1.97 2.85 -0.38 3.18 5.36 -1.26 -4.92 117.98 120.84 1se2 s PHE 208 Ca 0.46 -0.58 -0.10 0.00 -0.96 0.00 0.00 56.93 55.74 1se2 s PHE 208 Cb -0.11 -1.86 0.03 0.00 -0.34 0.00 0.00 43.02 40.74 1se2 s PHE 208 CO 0.26 -0.18 0.20 0.34 -1.46 0.00 0.00 175.22 174.39 1se2 s ASP 209 N 0.34 5.69 0.17 6.13 2.15 -1.26 -5.00 116.67 124.89 1se2 s ASP 209 Ca -0.10 -1.06 -0.16 0.00 0.43 0.00 0.00 52.55 51.66 1se2 s ASP 209 Cb -0.16 -2.01 0.11 0.00 -0.30 0.00 0.00 42.92 40.57 1se2 s ASP 209 CO 0.05 -0.40 1.69 1.56 -0.17 0.00 0.00 175.17 177.91 1se2 h GLN 210 N 8.42 0.09 -0.31 4.34 4.20 -1.98 -2.54 115.11 127.32 1se2 h GLN 210 Ca -0.25 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 1se2 h GLN 210 Cb 1.10 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 1se2 h GLN 210 CO 0.67 0.06 -0.17 0.66 -0.67 0.00 0.00 178.83 179.38 1se2 h SER 211 N 0.10 0.55 0.65 1.46 4.64 -1.98 -1.81 113.55 117.16 1se2 h SER 211 Ca 0.20 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1se2 h SER 211 Cb 0.28 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1se2 h SER 211 CO -0.34 0.74 -0.60 0.50 -0.87 0.00 0.00 176.83 176.27 1se2 h LYS 212 N 0.51 0.00 0.01 4.77 1.63 -1.96 -2.63 116.57 118.89 1se2 h LYS 212 Ca 0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1se2 h LYS 212 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1se2 h LYS 212 CO 0.04 0.60 -0.06 -0.92 -3.45 0.00 0.00 179.45 175.66 1se2 h TYR 213 N 0.00 0.05 0.00 1.91 3.20 -1.35 -3.30 116.97 117.48 1se2 h TYR 213 Ca -0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1se2 h TYR 213 Cb 1.08 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1se2 h TYR 213 CO 0.00 0.92 0.00 -0.07 -1.64 0.00 0.00 178.16 177.37 1se2 h LEU 214 N -0.84 0.00 -1.02 2.82 3.38 -1.34 -2.28 115.31 116.04 1se2 h LEU 214 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1se2 h LEU 214 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1se2 h LEU 214 CO 0.01 0.00 0.00 0.80 0.09 0.00 0.00 178.44 179.34 1se2 n MET 215 N -2.54 0.12 -0.23 1.13 1.56 -0.99 -1.97 117.12 114.19 1se2 n MET 215 Ca -0.02 0.56 0.04 0.00 -0.27 0.00 0.00 57.70 58.01 1se2 n MET 215 Cb 0.07 -1.85 0.15 0.00 2.15 0.00 0.00 33.22 33.74 1se2 n MET 215 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1se2 h MET 216 N 0.00 0.19 -0.00 2.12 2.86 -1.63 -2.81 114.93 115.66 1se2 h MET 216 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1se2 h MET 216 Cb 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1se2 h MET 216 CO 0.00 0.13 -0.01 0.66 1.06 0.00 0.00 176.91 178.75 1se2 n TYR 217 N -5.22 0.00 0.32 -0.22 4.01 -0.83 -4.15 117.16 111.07 1se2 n TYR 217 Ca 0.12 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 58.07 1se2 n TYR 217 Cb 0.43 -0.11 1.02 0.00 -0.31 0.00 0.00 39.34 40.36 1se2 n TYR 217 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 1se2 h ASN 218 N 0.11 0.00 0.20 7.72 -1.07 -1.67 -2.21 115.58 118.66 1se2 h ASN 218 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1se2 h ASN 218 Cb 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 1se2 h ASN 218 CO 0.00 0.00 0.00 -0.90 0.07 0.00 0.00 177.43 176.60 1se2 n ASP 219 N -3.10 0.38 -2.35 6.14 5.75 -1.26 -0.64 116.55 121.47 1se2 n ASP 219 Ca -0.02 0.65 -0.19 0.00 -0.01 0.00 0.00 54.79 55.22 1se2 n ASP 219 Cb 0.16 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.53 1se2 n ASP 219 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1se2 n ASN 220 N -1.98 -5.56 -4.61 -1.12 5.15 -0.83 -4.84 115.26 101.47 1se2 n ASN 220 Ca 0.00 0.05 -0.49 0.00 -0.60 0.00 0.00 54.58 53.54 1se2 n ASN 220 Cb 0.08 -4.66 -0.05 0.00 -0.53 0.00 0.00 39.78 34.62 1se2 n ASN 220 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1se2 n LYS 221 N -2.93 1.74 -4.08 1.20 3.00 -1.26 -4.91 118.16 110.92 1se2 n LYS 221 Ca -0.23 0.59 -0.22 0.00 -0.00 0.00 0.00 58.31 58.45 1se2 n LYS 221 Cb 0.67 -2.62 -0.05 0.00 0.00 0.00 0.00 35.03 33.04 1se2 n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1se2 s THR 222 N 5.50 4.01 0.00 3.15 -4.23 -1.26 -0.73 115.64 122.07 1se2 s THR 222 Ca 0.99 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1se2 s THR 222 Cb -0.73 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1se2 s THR 222 CO 0.50 -0.31 0.00 1.33 -0.54 0.00 0.00 174.62 175.60 1se2 n VAL 223 N -1.17 0.00 -3.56 2.29 0.24 -0.27 -4.81 118.33 111.05 1se2 n VAL 223 Ca -0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.02 1se2 n VAL 223 Cb 0.59 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.81 1se2 n VAL 223 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1se2 s ASP 224 N 1.00 1.79 0.28 -1.34 2.15 -1.26 -3.40 116.67 115.89 1se2 s ASP 224 Ca 0.00 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 1se2 s ASP 224 Cb 0.00 0.07 0.61 0.00 -0.30 0.00 0.00 42.92 43.30 1se2 s ASP 224 CO 0.00 -0.33 1.62 0.77 -0.17 0.00 0.00 175.17 177.06 1se2 h SER 225 N 8.37 -0.25 -0.27 -0.34 4.64 -1.64 -1.14 113.55 122.91 1se2 h SER 225 Ca -0.16 0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1se2 h SER 225 Cb 1.15 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 63.56 1se2 h SER 225 CO 0.28 -0.21 0.13 0.11 -0.87 0.00 0.00 176.83 176.26 1se2 h LYS 226 N 0.12 0.26 0.00 4.77 6.56 -1.85 -3.32 116.57 123.11 1se2 h LYS 226 Ca 0.51 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.08 1se2 h LYS 226 Cb 0.98 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1se2 h LYS 226 CO -0.72 0.17 -1.47 -1.13 -2.06 0.00 0.00 179.45 174.24 1se2 n SER 227 N -4.99 0.41 -4.75 0.86 3.41 -0.80 -5.00 113.62 102.77 1se2 n SER 227 Ca -0.01 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 1se2 n SER 227 Cb 0.07 1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 65.27 1se2 n SER 227 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1se2 s VAL 228 N -3.37 3.86 0.21 -3.33 1.01 -0.50 -4.30 120.40 113.98 1se2 s VAL 228 Ca -0.02 1.79 0.06 0.00 0.00 0.00 0.00 61.98 63.80 1se2 s VAL 228 Cb 0.13 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1se2 s VAL 228 CO 0.86 0.39 0.19 -0.54 0.00 0.00 0.00 175.10 175.99 1se2 s LYS 229 N -1.03 2.97 -0.20 2.72 1.02 -0.31 -4.76 119.74 120.16 1se2 s LYS 229 Ca 0.44 -0.95 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1se2 s LYS 229 Cb -0.29 -2.63 0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1se2 s LYS 229 CO 0.36 0.44 0.52 0.42 -0.92 0.00 0.00 175.35 176.17 1se2 s ILE 230 N -1.96 -0.00 -0.02 2.17 1.01 -1.26 -0.59 121.20 120.56 1se2 s ILE 230 Ca 0.32 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1se2 s ILE 230 Cb -0.09 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1se2 s ILE 230 CO 0.25 0.01 -0.00 -1.61 0.00 0.00 0.00 174.94 173.58 1se2 s GLU 231 N 0.54 0.27 -0.19 2.79 2.02 0.30 -1.70 118.70 122.73 1se2 s GLU 231 Ca -0.02 0.04 -0.05 0.00 0.02 0.00 0.00 54.97 54.96 1se2 s GLU 231 Cb -0.04 -0.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.75 1se2 s GLU 231 CO -0.03 -0.09 -0.01 0.14 0.02 0.00 0.00 175.26 175.29 1se2 s VAL 232 N 0.77 3.90 -0.24 2.63 -7.23 1.00 0.28 120.40 121.52 1se2 s VAL 232 Ca -0.08 -0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1se2 s VAL 232 Cb -0.11 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.09 1se2 s VAL 232 CO -0.01 0.44 -0.05 -1.00 -0.31 0.00 0.00 175.10 174.17 1se2 s HIS 233 N 0.86 3.01 0.49 2.82 3.76 0.37 -0.48 115.29 126.12 1se2 s HIS 233 Ca 0.00 -1.25 0.05 0.00 -0.15 0.00 0.00 55.06 53.71 1se2 s HIS 233 Cb -0.14 -2.09 -0.00 0.00 1.11 0.00 0.00 32.58 31.45 1se2 s HIS 233 CO 0.02 -0.65 0.23 -0.51 -0.85 0.00 0.00 174.74 172.99 1se2 s LEU 234 N 1.40 2.75 -0.29 0.89 1.02 0.74 -1.25 118.68 123.95 1se2 s LEU 234 Ca 0.03 -1.28 0.01 0.00 0.02 0.00 0.00 54.13 52.91 1se2 s LEU 234 Cb -0.15 -1.18 0.18 0.00 0.02 0.00 0.00 46.19 45.06 1se2 s LEU 234 CO -0.04 -0.85 0.55 -0.89 0.02 0.00 0.00 176.35 175.14 1se2 s THR 235 N -2.73 -0.92 0.59 5.49 2.01 -1.20 -2.50 115.64 116.38 1se2 s THR 235 Ca 0.30 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 1se2 s THR 235 Cb 0.01 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1se2 s THR 235 CO 0.17 -0.04 1.33 0.42 -0.69 0.00 0.00 174.62 175.81 1se2 s THR 236 N 2.79 2.06 -0.01 -0.82 -4.23 -1.26 0.10 115.64 114.27 1se2 s THR 236 Ca 0.17 0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 1se2 s THR 236 Cb -0.14 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 1se2 s THR 236 CO -0.22 -0.00 1.31 -0.54 -0.54 0.00 0.00 174.62 174.62 1se2 s LYS 237 N -3.13 4.32 0.84 3.99 1.02 0.25 -4.35 119.74 122.68 1se2 s LYS 237 Ca 0.77 1.85 -0.11 0.00 0.02 0.00 0.00 55.97 58.50 1se2 s LYS 237 Cb -0.39 -3.53 0.10 0.00 -0.52 0.00 0.00 37.83 33.49 1se2 s LYS 237 CO 0.44 -0.49 1.09 -0.80 -0.92 0.00 0.00 175.35 174.67 1se2 s ASN 238 N 1.62 3.96 0.00 2.83 0.01 -1.26 -4.97 114.94 117.14 1se2 s ASN 238 Ca 0.61 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 54.38 1se2 s ASN 238 Cb -0.29 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1se2 s ASN 238 CO 0.25 -2.35 0.00 0.61 -1.51 0.00 0.00 177.10 174.10