#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot3 s LYS 13 N 0.00 3.10 0.40 -0.78 1.02 -1.26 -4.99 119.74 117.23 1ot3 s LYS 13 Ca 0.00 1.44 -0.25 0.00 0.02 0.00 0.00 55.97 57.18 1ot3 s LYS 13 Cb 0.00 -1.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 1ot3 s LYS 13 CO 0.00 -1.02 1.20 -0.47 -0.92 0.00 0.00 175.35 174.14 1ot3 s TYR 14 N -2.15 2.99 -1.51 3.18 5.04 0.12 -3.42 117.35 121.61 1ot3 s TYR 14 Ca 0.68 1.52 -0.13 0.00 -2.44 0.00 0.00 57.07 56.70 1ot3 s TYR 14 Cb -0.21 -3.46 0.08 0.00 0.35 0.00 0.00 41.96 38.72 1ot3 s TYR 14 CO 0.35 -1.52 0.89 0.00 -1.34 0.00 0.00 175.55 173.94 1ot3 n ALA 15 N 0.05 -1.23 -2.86 3.97 0.00 -1.26 -0.91 120.51 118.27 1ot3 n ALA 15 Ca 0.04 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 1ot3 n ALA 15 Cb 0.46 -4.23 -0.06 0.00 0.00 0.00 0.00 19.45 15.62 1ot3 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ot3 s GLU 16 N -6.51 3.49 -0.67 0.00 2.12 -1.22 -4.25 118.70 111.67 1ot3 s GLU 16 Ca 0.62 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1ot3 s GLU 16 Cb -0.31 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1ot3 s GLU 16 CO 0.76 0.74 0.00 0.41 -0.54 0.00 0.00 175.26 176.63 1ot3 n GLY 17 N 2.11 0.63 0.00 -1.50 0.00 -1.26 -4.87 105.19 100.30 1ot3 n GLY 17 Ca -0.20 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1ot3 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ot3 n THR 18 N -3.21 0.14 -4.45 2.61 -2.24 -1.26 -5.05 114.28 100.82 1ot3 n THR 18 Ca -0.07 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1ot3 n THR 18 Cb 0.34 1.31 -0.12 0.00 -2.10 0.00 0.00 70.33 69.76 1ot3 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ot3 s GLN 19 N -0.14 3.61 0.67 -0.78 -1.52 -1.26 -4.61 119.66 115.63 1ot3 s GLN 19 Ca 0.00 -0.53 -0.11 0.00 -1.95 0.00 0.00 55.36 52.77 1ot3 s GLN 19 Cb 0.00 -2.87 0.15 0.00 -0.22 0.00 0.00 33.01 30.07 1ot3 s GLN 19 CO 0.00 0.26 0.91 -0.35 -0.25 0.00 0.00 175.29 175.87 1ot3 n PRO 20 N 3.46 -0.83 -1.71 2.91 -0.04 -1.26 -4.91 135.00 132.62 1ot3 n PRO 20 Ca -0.17 -1.47 -0.56 0.00 -0.04 0.00 0.00 63.50 61.25 1ot3 n PRO 20 Cb 0.53 -0.92 -0.07 0.00 -0.04 0.00 0.00 33.50 33.00 1ot3 n PRO 20 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ot3 n PHE 21 N -3.22 2.10 -4.63 0.54 7.35 -1.22 -4.71 117.46 113.67 1ot3 n PHE 21 Ca 0.12 0.44 -0.33 0.00 -0.76 0.00 0.00 57.45 56.92 1ot3 n PHE 21 Cb 0.40 -2.49 -0.13 0.00 0.35 0.00 0.00 39.48 37.61 1ot3 n PHE 21 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ot3 s THR 22 N 3.61 3.41 -0.19 -2.13 2.01 -1.26 -0.65 115.64 120.44 1ot3 s THR 22 Ca 0.97 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 1ot3 s THR 22 Cb -1.00 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1ot3 s THR 22 CO 0.63 0.52 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.30 1ot3 s VAL 23 N 0.22 3.10 -0.20 3.82 1.01 0.98 -2.25 120.40 127.08 1ot3 s VAL 23 Ca -0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1ot3 s VAL 23 Cb -0.15 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1ot3 s VAL 23 CO 0.04 0.47 0.24 -0.76 0.00 0.00 0.00 175.10 175.08 1ot3 s LEU 24 N 1.17 4.19 -0.41 3.92 1.43 0.28 -1.09 118.68 128.16 1ot3 s LEU 24 Ca 0.02 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.31 1ot3 s LEU 24 Cb -0.14 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.84 1ot3 s LEU 24 CO -0.03 0.08 0.30 -0.63 0.23 0.00 0.00 176.35 176.31 1ot3 s ILE 25 N 0.74 5.22 0.18 -0.59 -1.09 0.10 0.15 121.20 125.90 1ot3 s ILE 25 Ca 0.12 -0.71 0.08 0.00 -2.23 0.00 0.00 60.65 57.92 1ot3 s ILE 25 Cb -0.13 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1ot3 s ILE 25 CO 0.03 -0.33 -0.06 -1.61 -1.23 0.00 0.00 174.94 171.74 1ot3 s GLU 26 N 1.67 2.18 0.00 2.79 0.41 -0.27 -0.60 118.70 124.88 1ot3 s GLU 26 Ca 0.05 -1.21 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 1ot3 s GLU 26 Cb -0.19 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 1ot3 s GLU 26 CO 0.09 0.44 0.00 0.41 -0.49 0.00 0.00 175.26 175.72 1ot3 n GLY 27 N -0.03 1.24 3.92 -1.39 0.00 -1.26 -1.08 105.19 106.59 1ot3 n GLY 27 Ca -0.10 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1ot3 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ot3 s ASN 28 N 0.00 4.93 0.07 1.61 2.47 -1.26 -4.94 114.94 117.81 1ot3 s ASN 28 Ca 0.00 0.57 -0.30 0.00 0.42 0.00 0.00 52.86 53.55 1ot3 s ASN 28 Cb 0.00 -1.26 -0.09 0.00 -1.45 0.00 0.00 41.25 38.44 1ot3 s ASN 28 CO 0.00 -1.54 1.90 -0.63 -3.72 0.00 0.00 177.10 173.10 1ot3 s ILE 29 N -3.26 2.84 0.00 -5.21 1.01 -1.26 -1.61 121.20 113.71 1ot3 s ILE 29 Ca 0.59 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1ot3 s ILE 29 Cb -0.11 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1ot3 s ILE 29 CO 0.46 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1ot3 n GLY 30 N 4.39 0.72 1.00 6.18 0.00 -1.26 -4.73 105.19 111.49 1ot3 n GLY 30 Ca 0.19 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1ot3 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ot3 n SER 31 N 1.42 2.95 0.00 1.61 3.41 -0.63 -4.43 113.62 117.95 1ot3 n SER 31 Ca 0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1ot3 n SER 31 Cb 0.20 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1ot3 n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ot3 n GLY 32 N 1.40 0.39 0.26 5.00 0.00 -1.26 -4.89 105.19 106.08 1ot3 n GLY 32 Ca 0.19 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1ot3 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ot3 h LYS 33 N 0.00 0.86 -0.44 1.61 1.57 -1.92 -1.57 116.57 116.68 1ot3 h LYS 33 Ca 0.00 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1ot3 h LYS 33 Cb 0.51 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1ot3 h LYS 33 CO 0.00 0.80 0.27 1.15 -0.57 0.00 0.00 179.45 181.10 1ot3 h THR 34 N 0.76 1.07 -0.53 -0.16 2.02 -2.00 -1.15 112.91 112.92 1ot3 h THR 34 Ca 0.17 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1ot3 h THR 34 Cb 0.31 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1ot3 h THR 34 CO -0.00 0.10 0.24 0.74 0.37 0.00 0.00 175.52 176.97 1ot3 h THR 35 N 0.55 1.19 -0.22 3.16 2.02 -1.94 -2.65 112.91 115.01 1ot3 h THR 35 Ca 0.17 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 1ot3 h THR 35 Cb -0.02 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1ot3 h THR 35 CO -0.06 0.22 -0.26 0.22 0.37 0.00 0.00 175.52 176.00 1ot3 h TYR 36 N 0.75 0.69 0.00 3.16 3.20 -0.58 -3.15 116.97 121.04 1ot3 h TYR 36 Ca 0.19 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1ot3 h TYR 36 Cb 0.11 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1ot3 h TYR 36 CO 0.01 0.93 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.33 1ot3 h LEU 37 N 0.26 0.00 -1.34 2.82 4.07 -1.09 -2.77 115.31 117.25 1ot3 h LEU 37 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1ot3 h LEU 37 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1ot3 h LEU 37 CO 0.06 0.05 0.00 0.78 -1.08 0.00 0.00 178.44 178.26 1ot3 h ASN 38 N 0.00 0.00 1.04 -0.43 2.35 -1.43 -0.03 115.58 117.08 1ot3 h ASN 38 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ot3 h ASN 38 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1ot3 h ASN 38 CO 0.01 0.00 -0.12 1.41 -1.65 0.00 0.00 177.43 177.08 1ot3 n HIS 39 N -2.35 0.28 0.92 1.19 8.25 -1.05 -3.51 115.22 118.96 1ot3 n HIS 39 Ca -0.00 0.08 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1ot3 n HIS 39 Cb 0.10 -0.59 -0.08 0.00 1.12 0.00 0.00 29.99 30.54 1ot3 n HIS 39 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ot3 n PHE 40 N -1.74 0.00 -0.35 4.41 3.01 -0.03 -4.44 117.46 118.33 1ot3 n PHE 40 Ca 0.06 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.59 1ot3 n PHE 40 Cb 0.37 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 40.08 1ot3 n PHE 40 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1ot3 h GLU 41 N 0.63 0.90 -0.00 -1.08 4.81 -1.59 0.47 114.58 118.72 1ot3 h GLU 41 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ot3 h GLU 41 Cb 0.53 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ot3 h GLU 41 CO 0.00 0.60 0.03 1.57 -0.73 0.00 0.00 179.01 180.48 1ot3 h LYS 42 N 0.93 0.00 -0.51 1.92 -0.00 -1.82 -0.65 116.57 116.44 1ot3 h LYS 42 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.14 1ot3 h LYS 42 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.76 1ot3 h LYS 42 CO -0.28 0.00 0.00 0.66 -0.00 0.00 0.00 179.45 179.83 1ot3 n TYR 43 N -3.09 0.67 -0.48 0.07 0.53 0.15 -4.55 117.16 110.47 1ot3 n TYR 43 Ca -0.03 -0.34 0.40 0.00 -1.02 0.00 0.00 57.90 56.92 1ot3 n TYR 43 Cb 0.10 0.00 0.68 0.00 -1.03 0.00 0.00 39.34 39.09 1ot3 n TYR 43 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 1ot3 h LYS 44 N 3.97 0.02 0.00 -0.72 1.79 -1.13 0.94 116.57 121.44 1ot3 h LYS 44 Ca 0.00 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1ot3 h LYS 44 Cb 0.89 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1ot3 h LYS 44 CO 0.00 0.01 -0.08 -0.91 -1.08 0.00 0.00 179.45 177.39 1ot3 h ASN 45 N 0.02 0.00 0.00 0.86 2.35 -1.84 -3.32 115.58 113.65 1ot3 h ASN 45 Ca 0.87 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.62 1ot3 h ASN 45 Cb 2.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.19 1ot3 h ASN 45 CO -0.44 0.08 -1.26 0.47 -1.65 0.00 0.00 177.43 174.63 1ot3 n ASP 46 N -3.12 1.40 -3.91 5.81 10.43 0.29 -5.01 116.55 122.44 1ot3 n ASP 46 Ca 0.03 -0.30 -0.12 0.00 2.57 0.00 0.00 54.79 56.97 1ot3 n ASP 46 Cb 0.54 1.39 -0.13 0.00 1.84 0.00 0.00 41.12 44.76 1ot3 n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ot3 s ILE 47 N -2.69 0.10 -0.62 0.53 1.01 0.69 -4.46 121.20 115.76 1ot3 s ILE 47 Ca -0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 1ot3 s ILE 47 Cb 0.09 -0.14 0.03 0.00 0.01 0.00 0.00 42.46 42.46 1ot3 s ILE 47 CO 0.56 -0.11 1.19 0.00 0.00 0.00 0.00 174.94 176.59 1ot3 s LEU 49 N 5.05 4.80 -0.29 0.00 1.98 -1.26 -1.39 118.68 127.57 1ot3 s LEU 49 Ca 0.40 -0.75 -0.01 0.00 -2.89 0.00 0.00 54.13 50.88 1ot3 s LEU 49 Cb -0.08 -2.12 0.05 0.00 0.66 0.00 0.00 46.19 44.70 1ot3 s LEU 49 CO 0.22 -0.36 -0.02 -0.76 -1.89 0.00 0.00 176.35 173.55 1ot3 s LEU 50 N 1.67 3.80 0.73 -0.68 1.43 -0.23 -5.02 118.68 120.38 1ot3 s LEU 50 Ca 0.05 -1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 51.81 1ot3 s LEU 50 Cb -0.18 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1ot3 s LEU 50 CO 0.09 -0.24 1.05 0.42 0.23 0.00 0.00 176.35 177.90 1ot3 s THR 51 N 1.24 2.21 0.20 5.49 -4.23 -1.26 -1.83 115.64 117.46 1ot3 s THR 51 Ca -0.05 -0.21 -0.33 0.00 -1.18 0.00 0.00 61.69 59.92 1ot3 s THR 51 Cb -0.20 -3.00 -0.13 0.00 1.34 0.00 0.00 72.50 70.52 1ot3 s THR 51 CO -0.02 0.00 1.66 -0.62 -0.54 0.00 0.00 174.62 175.10 1ot3 n GLU 52 N -3.01 2.54 -0.14 3.99 1.02 -1.26 -4.71 120.64 119.06 1ot3 n GLU 52 Ca 0.08 0.92 -0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1ot3 n GLU 52 Cb 0.61 -2.73 -0.00 0.00 -0.02 0.00 0.00 31.44 29.29 1ot3 n GLU 52 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ot3 n PRO 53 N 3.66 0.29 -0.35 3.49 -0.02 -1.26 -4.37 135.00 136.44 1ot3 n PRO 53 Ca 0.16 -0.02 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1ot3 n PRO 53 Cb 0.33 -1.39 0.17 0.00 -0.02 0.00 0.00 33.50 32.59 1ot3 n PRO 53 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ot3 h VAL 54 N 1.82 1.03 -0.43 -1.45 2.07 -2.00 -1.75 116.25 115.54 1ot3 h VAL 54 Ca 0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1ot3 h VAL 54 Cb 0.28 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1ot3 h VAL 54 CO 0.04 0.19 0.16 -0.33 0.02 0.00 0.00 177.57 177.64 1ot3 h GLU 55 N 1.06 0.62 -0.25 1.57 4.39 -1.99 -1.80 114.58 118.17 1ot3 h GLU 55 Ca 0.42 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.92 1ot3 h GLU 55 Cb 0.24 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ot3 h GLU 55 CO -0.19 0.53 -0.28 0.87 -1.16 0.00 0.00 179.01 178.77 1ot3 h LYS 56 N 0.61 0.63 -0.05 2.33 1.57 -1.63 -2.88 116.57 117.15 1ot3 h LYS 56 Ca 0.15 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1ot3 h LYS 56 Cb 0.15 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1ot3 h LYS 56 CO -0.01 0.95 -0.19 -1.49 -0.57 0.00 0.00 179.45 178.14 1ot3 h TRP 57 N 0.35 0.08 0.00 -1.35 6.55 -1.07 -1.80 115.95 118.71 1ot3 h TRP 57 Ca 0.04 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1ot3 h TRP 57 Cb 0.85 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.13 1ot3 h TRP 57 CO 0.08 0.27 0.00 0.54 -1.05 0.00 0.00 178.44 178.27 1ot3 n ARG 58 N -4.28 0.16 -3.34 0.49 1.74 -0.71 -2.03 116.66 108.68 1ot3 n ARG 58 Ca -0.02 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 57.03 1ot3 n ARG 58 Cb 0.27 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 1ot3 n ARG 58 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ot3 s ASN 59 N -3.93 1.33 -0.97 0.55 2.47 -0.68 -3.89 114.94 109.83 1ot3 s ASN 59 Ca 0.11 -1.98 -0.02 0.00 0.42 0.00 0.00 52.86 51.39 1ot3 s ASN 59 Cb 0.14 0.31 0.29 0.00 -1.45 0.00 0.00 41.25 40.54 1ot3 s ASN 59 CO 0.53 -0.23 1.25 0.52 -3.72 0.00 0.00 177.10 175.45 1ot3 n VAL 60 N 3.84 4.47 -3.04 -5.21 0.31 0.76 -4.59 118.33 114.87 1ot3 n VAL 60 Ca 0.15 -5.70 -0.13 0.00 -0.01 0.00 0.00 64.34 58.66 1ot3 n VAL 60 Cb 0.45 -2.13 0.05 0.00 -0.91 0.00 0.00 33.84 31.30 1ot3 n VAL 60 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ot3 n ASN 61 N 1.34 -3.39 0.00 4.52 3.02 -1.26 -3.38 115.26 116.11 1ot3 n ASN 61 Ca 0.27 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1ot3 n ASN 61 Cb 0.35 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 1ot3 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ot3 n GLY 62 N -1.27 1.55 3.87 7.41 0.00 -1.26 -5.06 105.19 110.43 1ot3 n GLY 62 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1ot3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ot3 s VAL 63 N -2.44 5.36 -0.79 1.61 1.01 -1.22 -4.99 120.40 118.95 1ot3 s VAL 63 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1ot3 s VAL 63 Cb 0.00 -3.50 0.20 0.00 0.00 0.00 0.00 36.38 33.08 1ot3 s VAL 63 CO 0.00 0.60 0.67 0.21 0.00 0.00 0.00 175.10 176.58 1ot3 s ASN 64 N -1.08 6.02 0.40 3.32 3.84 -1.25 -0.17 114.94 126.02 1ot3 s ASN 64 Ca 0.18 -3.09 0.08 0.00 0.21 0.00 0.00 52.86 50.24 1ot3 s ASN 64 Cb -0.13 -2.00 0.82 0.00 -0.55 0.00 0.00 41.25 39.39 1ot3 s ASN 64 CO 0.07 -0.37 1.98 -0.07 -2.79 0.00 0.00 177.10 175.92 1ot3 h LEU 65 N 6.95 0.34 0.30 3.21 3.38 -1.67 -1.72 115.31 126.09 1ot3 h LEU 65 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ot3 h LEU 65 Cb 0.94 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ot3 h LEU 65 CO 0.78 0.37 -0.14 0.25 0.09 0.00 0.00 178.44 179.78 1ot3 h LEU 66 N 0.37 -0.34 0.02 1.67 5.85 -1.90 0.20 115.31 121.19 1ot3 h LEU 66 Ca 0.09 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ot3 h LEU 66 Cb 0.18 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ot3 h LEU 66 CO -0.00 -0.21 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.80 1ot3 h GLU 67 N -0.44 -0.03 -0.94 1.25 4.81 -1.84 -2.50 114.58 114.88 1ot3 h GLU 67 Ca -0.04 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1ot3 h GLU 67 Cb 0.33 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 1ot3 h GLU 67 CO 0.07 -0.02 0.61 -0.07 -0.73 0.00 0.00 179.01 178.87 1ot3 h LEU 68 N -0.04 0.92 -1.18 1.64 3.38 -1.24 -0.39 115.31 118.40 1ot3 h LEU 68 Ca -0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1ot3 h LEU 68 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1ot3 h LEU 68 CO 0.01 0.57 -0.11 -0.03 0.09 0.00 0.00 178.44 178.96 1ot3 h MET 69 N 1.04 0.43 0.00 1.13 4.05 -0.62 -0.84 114.93 120.11 1ot3 h MET 69 Ca 0.42 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.72 1ot3 h MET 69 Cb 0.27 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1ot3 h MET 69 CO -0.17 0.55 -0.37 1.88 0.23 0.00 0.00 176.91 179.03 1ot3 h TYR 70 N 0.40 0.00 0.00 1.39 0.99 -0.78 -2.00 116.97 116.97 1ot3 h TYR 70 Ca 0.08 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.75 1ot3 h TYR 70 Cb 0.45 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 1ot3 h TYR 70 CO 0.01 0.04 -1.27 1.63 -0.00 0.00 0.00 178.16 178.58 1ot3 n LYS 71 N -2.98 0.62 -2.76 4.88 5.02 -0.28 -4.70 118.16 117.96 1ot3 n LYS 71 Ca 0.02 0.12 -0.05 0.00 -2.02 0.00 0.00 58.31 56.38 1ot3 n LYS 71 Cb 0.56 -1.78 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1ot3 n LYS 71 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ot3 n ASP 72 N -2.70 -3.28 -0.02 4.39 2.03 -0.35 -5.06 116.55 111.56 1ot3 n ASP 72 Ca -0.04 -3.03 -0.11 0.00 0.52 0.00 0.00 54.79 52.13 1ot3 n ASP 72 Cb 0.66 1.78 -0.04 0.00 -0.72 0.00 0.00 41.12 42.79 1ot3 n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ot3 h PRO 73 N 4.68 -0.39 -0.56 -0.67 0.11 -1.55 -1.91 132.00 131.71 1ot3 h PRO 73 Ca -0.01 0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.29 1ot3 h PRO 73 Cb 1.09 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1ot3 h PRO 73 CO 0.11 -0.26 0.56 0.87 -0.21 0.00 0.00 178.00 179.06 1ot3 h LYS 74 N -0.41 0.00 0.00 1.05 1.57 -1.87 0.32 116.57 117.22 1ot3 h LYS 74 Ca 0.10 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.51 1ot3 h LYS 74 Cb 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 1ot3 h LYS 74 CO -0.40 0.00 -2.38 1.17 -0.57 0.00 0.00 179.45 177.28 1ot3 n LYS 75 N -3.75 0.73 0.00 3.15 4.81 -0.99 -4.66 118.16 117.45 1ot3 n LYS 75 Ca 0.11 0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.60 1ot3 n LYS 75 Cb 0.77 -1.51 0.03 0.00 0.02 0.00 0.00 35.03 34.34 1ot3 n LYS 75 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1ot3 n TRP 76 N -2.80 0.00 -0.26 5.64 7.02 -0.75 -4.61 117.44 121.68 1ot3 n TRP 76 Ca -0.34 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.07 1ot3 n TRP 76 Cb 1.13 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 30.07 1ot3 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ot3 h ALA 77 N 1.46 0.94 0.55 6.99 0.00 -0.59 -0.36 119.26 128.25 1ot3 h ALA 77 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ot3 h ALA 77 Cb 0.31 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ot3 h ALA 77 CO 0.00 0.61 -0.26 1.98 0.00 0.00 0.00 179.25 181.58 1ot3 h MET 78 N 1.06 -0.71 -0.35 0.00 1.85 -1.81 -0.85 114.93 114.12 1ot3 h MET 78 Ca 0.23 0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 59.22 1ot3 h MET 78 Cb 0.29 0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 1ot3 h MET 78 CO -0.01 -0.46 -0.39 -1.00 -0.40 0.00 0.00 176.91 174.66 1ot3 h PRO 79 N -0.78 0.84 -0.39 0.39 0.13 -1.82 -2.28 132.00 128.09 1ot3 h PRO 79 Ca -0.08 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1ot3 h PRO 79 Cb 0.58 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1ot3 h PRO 79 CO 0.12 1.07 0.18 0.35 -0.23 0.00 0.00 178.00 179.50 1ot3 h PHE 80 N 0.68 0.56 -0.07 1.56 3.57 -1.08 -1.64 116.94 120.53 1ot3 h PHE 80 Ca 0.06 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1ot3 h PHE 80 Cb 0.96 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1ot3 h PHE 80 CO 0.06 0.48 -0.46 1.96 -2.23 0.00 0.00 178.31 178.11 1ot3 h GLN 81 N 0.49 0.16 -0.55 1.11 1.08 -1.16 -1.11 115.11 115.13 1ot3 h GLN 81 Ca 0.13 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1ot3 h GLN 81 Cb 0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1ot3 h GLN 81 CO -0.02 0.60 0.07 1.03 -0.95 0.00 0.00 178.83 179.56 1ot3 h SER 82 N 0.13 0.90 0.10 1.46 0.87 -1.21 -1.45 113.55 114.34 1ot3 h SER 82 Ca 0.01 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.17 1ot3 h SER 82 Cb 0.87 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1ot3 h SER 82 CO 0.07 0.94 -0.45 0.22 -0.53 0.00 0.00 176.83 177.08 1ot3 h TYR 83 N 0.82 0.51 -0.77 2.24 3.20 -1.00 -2.44 116.97 119.53 1ot3 h TYR 83 Ca 0.17 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1ot3 h TYR 83 Cb 0.44 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1ot3 h TYR 83 CO 0.03 0.80 0.40 0.28 -1.64 0.00 0.00 178.16 178.04 1ot3 h VAL 84 N 0.34 1.24 -0.32 1.81 2.07 -0.90 -0.02 116.25 120.47 1ot3 h VAL 84 Ca 0.02 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1ot3 h VAL 84 Cb 0.93 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1ot3 h VAL 84 CO 0.08 0.27 0.17 0.74 0.02 0.00 0.00 177.57 178.85 1ot3 h THR 85 N 1.07 1.01 -0.01 2.57 2.02 -0.93 0.23 112.91 118.88 1ot3 h THR 85 Ca 0.27 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1ot3 h THR 85 Cb 0.07 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1ot3 h THR 85 CO -0.04 0.06 0.01 0.25 0.37 0.00 0.00 175.52 176.17 1ot3 h LEU 86 N 0.35 0.01 -0.93 2.58 5.85 -1.09 -1.36 115.31 120.73 1ot3 h LEU 86 Ca 0.13 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ot3 h LEU 86 Cb 0.02 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1ot3 h LEU 86 CO -0.08 0.08 0.61 0.71 -0.34 0.00 0.00 178.44 179.43 1ot3 h THR 87 N -0.06 1.19 -0.62 1.05 1.35 -0.68 0.03 112.91 115.16 1ot3 h THR 87 Ca 0.00 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.42 1ot3 h THR 87 Cb 0.07 -0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 66.34 1ot3 h THR 87 CO -0.00 0.22 0.25 0.24 -0.25 0.00 0.00 175.52 175.98 1ot3 h MET 88 N 1.21 0.91 -0.46 4.72 2.86 -0.74 -2.02 114.93 121.40 1ot3 h MET 88 Ca 0.36 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1ot3 h MET 88 Cb -0.06 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 1ot3 h MET 88 CO -0.10 0.74 -0.09 -0.07 1.06 0.00 0.00 176.91 178.44 1ot3 h LEU 89 N 0.90 0.81 -1.07 1.22 3.38 -0.04 -0.67 115.31 119.84 1ot3 h LEU 89 Ca 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ot3 h LEU 89 Cb 0.17 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1ot3 h LEU 89 CO -0.02 0.93 0.48 1.56 0.09 0.00 0.00 178.44 181.48 1ot3 h GLN 90 N 0.74 1.12 0.06 1.13 4.20 -0.36 -0.82 115.11 121.18 1ot3 h GLN 90 Ca 0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ot3 h GLN 90 Cb 0.59 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ot3 h GLN 90 CO 0.04 0.80 -0.03 0.77 -0.67 0.00 0.00 178.83 179.74 1ot3 h SER 91 N 1.14 -0.06 -0.92 1.46 0.02 -1.06 -0.86 113.55 113.26 1ot3 h SER 91 Ca 0.29 -0.55 0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1ot3 h SER 91 Cb -0.02 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1ot3 h SER 91 CO -0.05 0.56 0.59 0.45 -1.14 0.00 0.00 176.83 177.23 1ot3 h HIS 92 N -0.73 0.78 -0.00 3.45 3.86 -0.96 -2.25 115.15 119.30 1ot3 h HIS 92 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ot3 h HIS 92 Cb 0.61 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1ot3 h HIS 92 CO 0.13 0.25 -0.84 0.25 0.86 0.00 0.00 177.93 178.58 1ot3 n THR 93 N -4.58 0.00 -1.68 2.45 -2.24 -0.33 -4.68 114.28 103.22 1ot3 n THR 93 Ca 0.19 -0.05 -0.46 0.00 -2.27 0.00 0.00 64.05 61.46 1ot3 n THR 93 Cb 0.55 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 1ot3 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ot3 n ALA 94 N -1.24 1.37 -1.31 6.98 0.00 -0.33 -4.93 120.51 121.04 1ot3 n ALA 94 Ca 0.05 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1ot3 n ALA 94 Cb 0.35 -2.46 0.08 0.00 0.00 0.00 0.00 19.45 17.43 1ot3 n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ot3 s PRO 95 N 2.42 2.33 -0.19 0.00 0.04 -1.26 -5.01 135.00 133.31 1ot3 s PRO 95 Ca 0.84 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 1ot3 s PRO 95 Cb -0.64 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 32.14 1ot3 s PRO 95 CO 0.43 -1.62 1.05 -0.08 0.04 0.00 0.00 177.00 176.82 1ot3 s THR 96 N -2.55 0.00 -0.37 1.26 -1.32 -1.26 -5.03 115.64 106.36 1ot3 s THR 96 Ca 0.65 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.21 1ot3 s THR 96 Cb -0.20 -1.00 0.67 0.00 -1.51 0.00 0.00 72.50 70.46 1ot3 s THR 96 CO 0.49 0.00 1.80 0.59 -2.21 0.00 0.00 174.62 175.29 1ot3 n ASN 97 N 0.91 3.97 -4.96 8.08 3.02 -1.26 -4.91 115.26 120.12 1ot3 n ASN 97 Ca -0.09 -3.48 -0.22 0.00 -0.03 0.00 0.00 54.58 50.76 1ot3 n ASN 97 Cb 0.58 -0.77 -0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1ot3 n ASN 97 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ot3 s LYS 98 N -3.17 3.29 0.06 3.52 -0.14 -1.26 -5.02 119.74 117.01 1ot3 s LYS 98 Ca 0.54 -0.54 0.18 0.00 -1.36 0.00 0.00 55.97 54.80 1ot3 s LYS 98 Cb 0.45 -2.68 -0.14 0.00 -1.68 0.00 0.00 37.83 33.78 1ot3 s LYS 98 CO 0.10 0.03 0.77 1.63 -0.76 0.00 0.00 175.35 177.12 1ot3 n LYS 99 N -1.82 0.63 -4.65 1.68 4.76 -1.26 -4.69 118.16 112.81 1ot3 n LYS 99 Ca -0.03 0.15 -0.23 0.00 -2.87 0.00 0.00 58.31 55.34 1ot3 n LYS 99 Cb 0.57 -1.76 -0.15 0.00 -1.84 0.00 0.00 35.03 31.84 1ot3 n LYS 99 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ot3 s LEU 100 N -5.57 1.93 -0.08 -0.35 2.96 -1.26 -3.43 118.68 112.87 1ot3 s LEU 100 Ca -0.04 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1ot3 s LEU 100 Cb 0.09 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 46.03 1ot3 s LEU 100 CO 0.82 0.14 -0.13 -0.75 -1.32 0.00 0.00 176.35 175.11 1ot3 s LYS 101 N -0.09 1.88 -0.13 1.98 2.20 0.18 -1.58 119.74 124.18 1ot3 s LYS 101 Ca 0.00 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1ot3 s LYS 101 Cb -0.08 -1.59 0.01 0.00 -1.51 0.00 0.00 37.83 34.66 1ot3 s LYS 101 CO 0.01 -0.02 -0.18 0.42 -0.36 0.00 0.00 175.35 175.21 1ot3 s ILE 102 N 0.84 1.80 0.15 5.43 1.01 -0.49 -0.02 121.20 129.94 1ot3 s ILE 102 Ca -0.11 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.82 1ot3 s ILE 102 Cb -0.15 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1ot3 s ILE 102 CO 0.01 0.50 -0.15 -0.04 0.00 0.00 0.00 174.94 175.26 1ot3 s MET 103 N 1.00 1.87 -0.29 2.79 -1.94 -0.25 -1.07 119.30 121.41 1ot3 s MET 103 Ca -0.04 -1.26 -0.09 0.00 -1.71 0.00 0.00 55.69 52.60 1ot3 s MET 103 Cb -0.15 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 1ot3 s MET 103 CO -0.04 0.45 0.12 -2.00 -0.01 0.00 0.00 175.02 173.54 1ot3 s GLU 104 N -2.48 3.42 0.31 2.03 2.12 -0.76 -0.72 118.70 122.62 1ot3 s GLU 104 Ca 0.21 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1ot3 s GLU 104 Cb -0.10 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1ot3 s GLU 104 CO 0.12 -0.34 0.00 0.54 -0.54 0.00 0.00 175.26 175.04 1ot3 n ARG 105 N 4.95 -1.98 -3.00 4.30 5.12 0.23 -4.14 116.66 122.14 1ot3 n ARG 105 Ca -0.15 1.50 -0.06 0.00 -1.93 0.00 0.00 57.85 57.21 1ot3 n ARG 105 Cb 0.50 -2.36 0.02 0.00 -1.16 0.00 0.00 32.46 29.46 1ot3 n ARG 105 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1ot3 n SER 106 N -3.63 -1.63 0.28 0.55 3.41 -1.26 -4.76 113.62 106.59 1ot3 n SER 106 Ca -0.03 -2.11 0.15 0.00 -0.26 0.00 0.00 58.87 56.62 1ot3 n SER 106 Cb 0.42 2.70 0.84 0.00 -0.26 0.00 0.00 64.21 67.92 1ot3 n SER 106 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1ot3 h ILE 107 N 1.71 0.43 -0.10 -1.33 2.10 -1.93 -2.40 117.51 115.99 1ot3 h ILE 107 Ca -0.24 -0.34 -0.13 0.00 1.08 0.00 0.00 64.86 65.24 1ot3 h ILE 107 Cb 0.89 1.23 0.01 0.00 -1.09 0.00 0.00 36.82 37.85 1ot3 h ILE 107 CO 0.30 0.07 -0.43 -0.26 -1.08 0.00 0.00 178.15 176.75 1ot3 h PHE 108 N 0.00 0.62 0.00 2.19 0.05 -1.99 -2.27 116.94 115.54 1ot3 h PHE 108 Ca -0.00 -0.27 -0.00 0.00 3.82 0.00 0.00 57.97 61.52 1ot3 h PHE 108 Cb 0.22 -0.10 -0.00 0.00 2.00 0.00 0.00 35.95 38.08 1ot3 h PHE 108 CO 0.00 1.03 -0.01 0.66 -0.18 0.00 0.00 178.31 179.81 1ot3 h SER 109 N 0.04 0.00 0.08 2.17 4.64 -1.87 0.12 113.55 118.73 1ot3 h SER 109 Ca -0.03 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.10 1ot3 h SER 109 Cb 1.07 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1ot3 h SER 109 CO 0.09 0.01 -0.80 0.00 -0.87 0.00 0.00 176.83 175.25 1ot3 h ALA 110 N 1.99 -0.01 0.18 5.18 0.00 -1.34 -2.98 119.26 122.28 1ot3 h ALA 110 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1ot3 h ALA 110 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ot3 h ALA 110 CO 0.00 0.42 -0.08 -0.09 0.00 0.00 0.00 179.25 179.49 1ot3 h ARG 111 N -0.16 -0.23 0.00 0.00 2.43 -1.14 -0.43 114.38 114.86 1ot3 h ARG 111 Ca -0.12 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1ot3 h ARG 111 Cb 1.56 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1ot3 h ARG 111 CO 0.15 -0.15 -0.16 1.88 -1.51 0.00 0.00 179.97 180.18 1ot3 h TYR 112 N -0.99 0.00 0.00 2.20 0.99 -1.19 -3.01 116.97 114.97 1ot3 h TYR 112 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1ot3 h TYR 112 Cb 0.18 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.91 1ot3 h TYR 112 CO 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 178.16 178.32 1ot3 h PHE 114 N 0.00 0.12 -0.64 0.00 -1.00 -1.55 -0.76 116.94 113.11 1ot3 h PHE 114 Ca 0.00 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 1ot3 h PHE 114 Cb 0.00 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 1ot3 h PHE 114 CO 0.00 0.29 0.29 0.28 -1.61 0.00 0.00 178.31 177.56 1ot3 h VAL 115 N -0.09 1.22 -0.38 -0.55 2.07 -1.19 -1.26 116.25 116.09 1ot3 h VAL 115 Ca 0.02 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1ot3 h VAL 115 Cb 0.23 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1ot3 h VAL 115 CO -0.00 0.27 0.03 -0.08 0.02 0.00 0.00 177.57 177.80 1ot3 h GLU 116 N 0.88 0.58 -0.24 1.57 4.57 -1.49 -2.49 114.58 117.97 1ot3 h GLU 116 Ca 0.22 -0.12 -0.19 0.00 -1.18 0.00 0.00 59.36 58.08 1ot3 h GLU 116 Cb 0.15 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1ot3 h GLU 116 CO -0.02 0.59 -0.61 -0.97 -1.18 0.00 0.00 179.01 176.81 1ot3 h ASN 117 N 0.56 0.92 0.61 1.04 -0.00 -0.65 -2.84 115.58 115.23 1ot3 h ASN 117 Ca 0.12 -0.53 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 1ot3 h ASN 117 Cb 0.32 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 1ot3 h ASN 117 CO 0.01 1.32 0.00 0.23 -0.00 0.00 0.00 177.43 178.99 1ot3 n MET 118 N -3.98 0.06 0.07 6.67 2.81 -0.52 -2.30 117.12 119.93 1ot3 n MET 118 Ca -0.05 0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 55.91 1ot3 n MET 118 Cb 0.66 -1.61 -0.15 0.00 -0.71 0.00 0.00 33.22 31.41 1ot3 n MET 118 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1ot3 h ARG 119 N 0.00 0.36 -0.16 0.03 2.43 -1.23 0.73 114.38 116.55 1ot3 h ARG 119 Ca 0.00 -0.61 -0.17 0.00 -0.81 0.00 0.00 59.98 58.38 1ot3 h ARG 119 Cb 0.31 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1ot3 h ARG 119 CO 0.00 1.27 -0.61 0.00 -1.51 0.00 0.00 179.97 179.11 1ot3 h ARG 120 N 0.10 0.54 -0.18 0.20 3.08 -1.26 -3.04 114.38 113.81 1ot3 h ARG 120 Ca -0.33 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.35 1ot3 h ARG 120 Cb 2.08 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.19 1ot3 h ARG 120 CO 0.17 0.99 0.00 0.27 -1.07 0.00 0.00 179.97 180.33 1ot3 n ASN 121 N -3.93 1.49 0.00 7.04 2.04 -1.02 -4.91 115.26 115.98 1ot3 n ASN 121 Ca -0.04 -1.74 0.00 0.00 -0.44 0.00 0.00 54.58 52.36 1ot3 n ASN 121 Cb 0.64 -0.12 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 1ot3 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ot3 n GLY 122 N 1.06 0.90 0.32 4.83 0.00 -1.15 -4.91 105.19 106.24 1ot3 n GLY 122 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1ot3 n GLY 122 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ot3 h SER 123 N 0.00 0.51 -3.83 1.61 0.02 -0.89 -3.37 113.55 107.60 1ot3 h SER 123 Ca 0.00 -0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 60.27 1ot3 h SER 123 Cb 0.00 -0.13 -0.36 0.00 0.14 0.00 0.00 62.40 62.06 1ot3 h SER 123 CO 0.00 0.37 -0.77 -0.76 -1.14 0.00 0.00 176.83 174.52 1ot3 s LEU 124 N -9.53 3.56 0.78 5.07 1.43 0.22 -3.89 118.68 116.32 1ot3 s LEU 124 Ca -0.09 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 51.53 1ot3 s LEU 124 Cb 0.18 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.87 1ot3 s LEU 124 CO 0.74 -0.21 1.21 -1.61 0.23 0.00 0.00 176.35 176.71 1ot3 s GLU 125 N 1.15 1.82 0.36 1.70 2.02 -1.26 -4.55 118.70 119.94 1ot3 s GLU 125 Ca -0.08 1.75 0.14 0.00 0.02 0.00 0.00 54.97 56.81 1ot3 s GLU 125 Cb -0.20 -1.80 0.99 0.00 0.10 0.00 0.00 34.13 33.22 1ot3 s GLU 125 CO -0.04 -2.08 1.76 0.37 0.02 0.00 0.00 175.26 175.29 1ot3 h GLN 126 N -0.69 0.49 -0.44 1.61 5.75 -1.96 0.29 115.11 120.16 1ot3 h GLN 126 Ca -0.47 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 57.94 1ot3 h GLN 126 Cb 1.30 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 1ot3 h GLN 126 CO 0.47 0.32 0.01 0.78 -2.65 0.00 0.00 178.83 177.77 1ot3 h GLY 127 N 0.50 0.77 0.82 2.39 0.00 -2.00 -1.56 103.07 104.00 1ot3 h GLY 127 Ca 0.61 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 1ot3 h GLY 127 CO -0.37 0.45 -0.48 -0.33 0.00 0.00 0.00 176.54 175.82 1ot3 h MET 128 N 0.68 0.47 0.75 4.80 2.86 -0.83 -3.20 114.93 120.44 1ot3 h MET 128 Ca 0.14 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1ot3 h MET 128 Cb 0.40 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.15 1ot3 h MET 128 CO 0.01 1.03 -0.36 -0.92 1.06 0.00 0.00 176.91 177.74 1ot3 h TYR 129 N 0.03 -0.93 -0.91 -0.22 3.20 -0.90 -2.83 116.97 114.40 1ot3 h TYR 129 Ca -0.04 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.03 1ot3 h TYR 129 Cb 1.13 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 39.65 1ot3 h TYR 129 CO 0.12 -0.58 0.61 -0.91 -1.64 0.00 0.00 178.16 175.77 1ot3 h ASN 130 N -1.01 0.35 -0.19 -2.11 2.35 -1.41 0.21 115.58 113.76 1ot3 h ASN 130 Ca -0.10 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1ot3 h ASN 130 Cb 0.77 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 1ot3 h ASN 130 CO 0.17 0.13 -0.13 0.74 -1.65 0.00 0.00 177.43 176.69 1ot3 h THR 131 N 0.34 1.32 -0.49 2.81 2.02 -1.52 -0.87 112.91 116.51 1ot3 h THR 131 Ca 0.47 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1ot3 h THR 131 Cb 1.29 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1ot3 h THR 131 CO -0.16 0.37 0.24 -0.07 0.37 0.00 0.00 175.52 176.27 1ot3 h LEU 132 N 0.10 0.64 -0.80 2.58 3.38 -0.94 -2.85 115.31 117.42 1ot3 h LEU 132 Ca 0.04 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1ot3 h LEU 132 Cb 0.64 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1ot3 h LEU 132 CO 0.03 0.58 0.51 -0.33 0.09 0.00 0.00 178.44 179.33 1ot3 h GLU 133 N 0.65 0.96 -0.09 1.13 4.39 -0.90 -1.75 114.58 118.97 1ot3 h GLU 133 Ca 0.17 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1ot3 h GLU 133 Cb 0.11 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1ot3 h GLU 133 CO -0.02 0.64 0.00 0.93 -1.16 0.00 0.00 179.01 179.39 1ot3 h GLU 134 N 0.99 0.12 -0.20 2.33 4.39 -0.93 0.48 114.58 121.76 1ot3 h GLU 134 Ca 0.32 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.93 1ot3 h GLU 134 Cb 0.03 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ot3 h GLU 134 CO -0.12 0.14 -0.20 -1.49 -1.16 0.00 0.00 179.01 176.18 1ot3 h TRP 135 N 0.13 0.59 -0.50 4.33 4.06 -1.18 -2.14 115.95 121.24 1ot3 h TRP 135 Ca 0.03 -0.18 0.03 0.00 2.06 0.00 0.00 58.89 60.83 1ot3 h TRP 135 Cb 0.09 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 1ot3 h TRP 135 CO 0.00 0.85 0.30 1.88 -3.56 0.00 0.00 178.44 177.90 1ot3 h TYR 136 N 0.17 0.55 -0.91 0.49 0.99 -0.70 0.41 116.97 117.99 1ot3 h TYR 136 Ca 0.03 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.80 1ot3 h TYR 136 Cb 0.74 -0.18 -0.05 0.00 1.00 0.00 0.00 36.73 38.25 1ot3 h TYR 136 CO 0.08 0.31 0.60 0.87 -0.00 0.00 0.00 178.16 180.02 1ot3 h LYS 137 N 0.59 1.16 -0.27 4.88 1.57 -0.86 -1.41 116.57 122.23 1ot3 h LYS 137 Ca 0.20 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 1ot3 h LYS 137 Cb 0.03 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1ot3 h LYS 137 CO -0.10 0.77 -0.49 0.35 -0.57 0.00 0.00 179.45 179.41 1ot3 h PHE 138 N 1.20 0.93 -0.38 -1.35 3.57 -0.64 -3.25 116.94 117.03 1ot3 h PHE 138 Ca 0.34 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ot3 h PHE 138 Cb -0.09 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1ot3 h PHE 138 CO -0.00 1.09 0.15 0.82 -2.23 0.00 0.00 178.31 178.14 1ot3 h ILE 139 N 0.59 1.20 0.00 1.41 2.04 0.47 -2.15 117.51 121.06 1ot3 h ILE 139 Ca 0.03 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1ot3 h ILE 139 Cb 1.07 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1ot3 h ILE 139 CO 0.11 0.22 0.00 -1.84 0.00 0.00 0.00 178.15 176.63 1ot3 n GLU 140 N -4.66 0.86 0.00 2.37 0.28 -0.59 -0.52 120.64 118.38 1ot3 n GLU 140 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1ot3 n GLU 140 Cb 0.15 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1ot3 n GLU 140 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ot3 n GLU 141 N -0.31 3.36 0.00 3.44 1.02 -1.01 -4.85 120.64 122.29 1ot3 n GLU 141 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ot3 n GLU 141 Cb 0.07 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1ot3 n GLU 141 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ot3 n SER 142 N -0.76 3.72 -4.61 1.62 3.41 -0.84 -4.91 113.62 111.25 1ot3 n SER 142 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1ot3 n SER 142 Cb 0.00 0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1ot3 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ot3 s ILE 143 N -1.64 3.74 -0.14 -1.33 1.01 0.32 0.12 121.20 123.28 1ot3 s ILE 143 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 1ot3 s ILE 143 Cb 0.00 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 1ot3 s ILE 143 CO 0.00 0.39 0.32 -2.28 0.00 0.00 0.00 174.94 173.37 1ot3 s HIS 144 N -1.01 3.48 -0.38 3.97 5.65 -0.09 -4.54 115.29 122.37 1ot3 s HIS 144 Ca 0.17 0.66 0.02 0.00 0.25 0.00 0.00 55.06 56.16 1ot3 s HIS 144 Cb -0.11 -2.36 0.12 0.00 -1.18 0.00 0.00 32.58 29.04 1ot3 s HIS 144 CO 0.08 0.26 0.15 0.08 -0.65 0.00 0.00 174.74 174.66 1ot3 s VAL 145 N 0.38 1.52 0.18 0.89 1.01 -1.26 -4.65 120.40 118.47 1ot3 s VAL 145 Ca 0.18 -2.20 -0.32 0.00 0.00 0.00 0.00 61.98 59.65 1ot3 s VAL 145 Cb -0.13 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 1ot3 s VAL 145 CO 0.05 -0.75 1.70 -1.58 0.00 0.00 0.00 175.10 174.53 1ot3 s GLN 146 N 0.83 4.15 -0.43 2.72 2.00 -1.26 -4.96 119.66 122.71 1ot3 s GLN 146 Ca 0.13 2.54 0.05 0.00 -2.00 0.00 0.00 55.36 56.09 1ot3 s GLN 146 Cb -0.21 -3.20 0.17 0.00 0.80 0.00 0.00 33.01 30.57 1ot3 s GLN 146 CO -0.10 -0.73 0.50 0.00 -0.50 0.00 0.00 175.29 174.46 1ot3 s ALA 147 N 1.49 -0.79 -0.00 1.58 0.00 -1.26 -4.79 121.76 117.99 1ot3 s ALA 147 Ca 0.75 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 1ot3 s ALA 147 Cb -0.47 -2.24 -0.29 0.00 0.00 0.00 0.00 23.12 20.11 1ot3 s ALA 147 CO 0.33 -2.15 0.85 -0.44 0.00 0.00 0.00 175.76 174.34 1ot3 h ASP 148 N 6.17 0.48 -5.01 0.00 3.32 -1.85 -3.42 116.42 116.11 1ot3 h ASP 148 Ca 0.10 -0.64 -0.11 0.00 0.02 0.00 0.00 57.03 56.39 1ot3 h ASP 148 Cb 1.06 -0.15 -0.19 0.00 0.22 0.00 0.00 39.33 40.26 1ot3 h ASP 148 CO 0.17 1.53 -0.30 -0.22 -1.72 0.00 0.00 179.24 178.70 1ot3 s LEU 149 N -7.10 0.96 -0.06 1.55 2.96 -0.95 -4.15 118.68 111.89 1ot3 s LEU 149 Ca -0.10 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1ot3 s LEU 149 Cb 0.06 1.21 0.01 0.00 0.50 0.00 0.00 46.19 47.97 1ot3 s LEU 149 CO 0.86 -0.49 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.67 1ot3 s ILE 150 N -1.69 0.97 -0.38 6.68 1.01 -0.90 -0.55 121.20 126.34 1ot3 s ILE 150 Ca -0.11 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1ot3 s ILE 150 Cb -0.04 -0.90 0.04 0.00 0.01 0.00 0.00 42.46 41.57 1ot3 s ILE 150 CO 0.02 0.32 0.20 -0.63 0.00 0.00 0.00 174.94 174.84 1ot3 s ILE 151 N 0.66 4.30 -0.32 2.92 1.01 0.12 0.05 121.20 129.94 1ot3 s ILE 151 Ca -0.13 -1.07 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 1ot3 s ILE 151 Cb -0.15 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1ot3 s ILE 151 CO 0.03 -0.29 0.38 -0.47 0.00 0.00 0.00 174.94 174.58 1ot3 s TYR 152 N 1.48 3.22 -1.08 3.97 5.04 0.11 -1.11 117.35 128.97 1ot3 s TYR 152 Ca 0.01 0.13 -0.14 0.00 -2.44 0.00 0.00 57.07 54.64 1ot3 s TYR 152 Cb -0.20 -2.67 0.18 0.00 0.35 0.00 0.00 41.96 39.63 1ot3 s TYR 152 CO 0.05 -0.38 1.24 -0.51 -1.34 0.00 0.00 175.55 174.60 1ot3 s LEU 153 N 2.08 5.45 0.13 6.97 1.43 -0.24 -0.26 118.68 134.23 1ot3 s LEU 153 Ca 0.13 -2.84 -0.31 0.00 -1.03 0.00 0.00 54.13 50.09 1ot3 s LEU 153 Cb -0.16 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.63 1ot3 s LEU 153 CO 0.11 -0.73 1.40 -0.60 0.23 0.00 0.00 176.35 176.77 1ot3 s ARG 154 N 1.21 4.31 0.10 1.70 3.52 -0.42 -4.48 118.95 124.88 1ot3 s ARG 154 Ca 0.36 2.11 -0.08 0.00 -0.13 0.00 0.00 55.73 57.99 1ot3 s ARG 154 Cb -0.05 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1ot3 s ARG 154 CO -0.05 -0.44 0.19 0.95 -0.81 0.00 0.00 175.30 175.14 1ot3 s THR 155 N 0.99 0.13 0.15 4.11 -4.23 -1.26 -2.11 115.64 113.42 1ot3 s THR 155 Ca 0.64 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 1ot3 s THR 155 Cb -0.38 -1.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.91 1ot3 s THR 155 CO 0.31 -0.59 0.60 -0.94 -0.54 0.00 0.00 174.62 173.46 1ot3 s SER 156 N -2.89 6.92 0.37 3.99 1.04 -1.26 -4.94 113.70 116.92 1ot3 s SER 156 Ca 0.08 1.19 0.13 0.00 0.48 0.00 0.00 55.95 57.84 1ot3 s SER 156 Cb 0.05 -2.33 0.96 0.00 0.10 0.00 0.00 66.02 64.79 1ot3 s SER 156 CO -0.08 0.11 1.80 -0.65 0.98 0.00 0.00 173.24 175.39 1ot3 h PRO 157 N 3.67 0.52 0.14 4.02 0.11 -1.95 0.10 132.00 138.61 1ot3 h PRO 157 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1ot3 h PRO 157 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ot3 h PRO 157 CO 0.65 0.35 -0.07 0.93 -0.21 0.00 0.00 178.00 179.65 1ot3 h GLU 158 N 0.54 -0.18 -0.87 1.05 3.07 -1.93 0.19 114.58 116.46 1ot3 h GLU 158 Ca 0.56 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.46 1ot3 h GLU 158 Cb 1.18 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 1ot3 h GLU 158 CO -0.30 0.10 0.57 0.28 -1.40 0.00 0.00 179.01 178.26 1ot3 h VAL 159 N -0.46 1.14 -0.01 3.13 2.07 -1.66 0.10 116.25 120.57 1ot3 h VAL 159 Ca -0.02 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ot3 h VAL 159 Cb 0.37 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1ot3 h VAL 159 CO 0.03 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1ot3 h ALA 160 N 1.50 0.01 -0.99 1.67 0.00 -0.64 -1.01 119.26 119.79 1ot3 h ALA 160 Ca 0.35 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1ot3 h ALA 160 Cb 0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1ot3 h ALA 160 CO -0.10 -0.33 0.63 -0.92 0.00 0.00 0.00 179.25 178.52 1ot3 h TYR 161 N -0.29 1.11 0.06 0.00 3.20 -0.08 -1.02 116.97 119.96 1ot3 h TYR 161 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ot3 h TYR 161 Cb 0.31 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1ot3 h TYR 161 CO 0.03 0.45 -0.03 1.49 -1.64 0.00 0.00 178.16 178.46 1ot3 h GLU 162 N 0.98 -0.08 -0.71 1.82 4.81 -0.54 -2.78 114.58 118.08 1ot3 h GLU 162 Ca 0.48 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1ot3 h GLU 162 Cb 0.48 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1ot3 h GLU 162 CO -0.25 0.02 0.35 -0.09 -0.73 0.00 0.00 179.01 178.31 1ot3 h ARG 163 N -0.17 1.01 0.00 1.92 2.43 -0.21 -2.05 114.38 117.31 1ot3 h ARG 163 Ca -0.01 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1ot3 h ARG 163 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1ot3 h ARG 163 CO 0.01 0.77 -0.19 0.82 -1.51 0.00 0.00 179.97 179.88 1ot3 h ILE 164 N 1.01 0.97 0.00 1.20 2.04 -1.12 -1.37 117.51 120.22 1ot3 h ILE 164 Ca 0.25 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ot3 h ILE 164 Cb 0.09 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1ot3 h ILE 164 CO -0.03 0.18 -0.46 -0.09 0.00 0.00 0.00 178.15 177.75 1ot3 h ARG 165 N 0.00 0.00 -0.00 2.37 2.43 -1.11 -3.26 114.38 114.80 1ot3 h ARG 165 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ot3 h ARG 165 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ot3 h ARG 165 CO 0.02 0.00 -0.31 1.04 -1.51 0.00 0.00 179.97 179.22 1ot3 n GLN 166 N -2.18 0.01 -3.57 0.20 1.13 -0.53 -4.89 117.38 107.54 1ot3 n GLN 166 Ca 0.04 -0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.86 1ot3 n GLN 166 Cb 0.44 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.31 1ot3 n GLN 166 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ot3 s ARG 167 N -3.00 2.26 -0.46 -1.09 0.52 -1.11 -5.06 118.95 111.00 1ot3 s ARG 167 Ca 0.12 -1.90 0.04 0.00 -0.52 0.00 0.00 55.73 53.48 1ot3 s ARG 167 Cb 0.18 -2.30 0.42 0.00 0.52 0.00 0.00 34.95 33.78 1ot3 s ARG 167 CO 0.63 -0.73 1.26 0.00 0.02 0.00 0.00 175.30 176.49 1ot3 n ALA 168 N -1.96 5.27 -1.00 2.13 0.00 -1.26 -5.01 120.51 118.67 1ot3 n ALA 168 Ca 0.05 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1ot3 n ALA 168 Cb 0.63 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1ot3 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot3 n ARG 169 N -0.55 1.26 0.00 0.00 5.12 -1.26 -5.08 116.66 116.15 1ot3 n ARG 169 Ca 0.43 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 1ot3 n ARG 169 Cb 0.68 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.98 1ot3 n ARG 169 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ot3 n SER 170 N 0.00 0.00 -0.08 0.55 2.88 -1.26 -4.80 113.62 110.90 1ot3 n SER 170 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1ot3 n SER 170 Cb 0.00 0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.48 1ot3 n SER 170 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1ot3 h GLU 171 N 0.00 -0.23 0.00 -1.46 3.07 -1.96 -2.45 114.58 111.55 1ot3 h GLU 171 Ca 0.00 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 1ot3 h GLU 171 Cb 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1ot3 h GLU 171 CO 0.00 -0.15 -0.37 1.05 -1.40 0.00 0.00 179.01 178.14 1ot3 h GLU 172 N -0.23 0.00 -3.15 2.33 4.11 -1.94 -3.39 114.58 112.31 1ot3 h GLU 172 Ca 0.16 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.26 1ot3 h GLU 172 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ot3 h GLU 172 CO -0.46 0.37 2.04 -1.13 0.07 0.00 0.00 179.01 179.90 1ot3 n SER 173 N -3.26 4.75 0.00 3.06 3.41 -0.92 -2.32 113.62 118.34 1ot3 n SER 173 Ca 0.02 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 1ot3 n SER 173 Cb 0.63 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1ot3 n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ot3 s VAL 175 N 0.00 3.63 0.75 0.00 -7.23 -0.98 -4.99 120.40 111.58 1ot3 s VAL 175 Ca 0.00 1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 61.10 1ot3 s VAL 175 Cb 0.00 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.29 1ot3 s VAL 175 CO 0.00 0.03 1.22 -2.84 -0.31 0.00 0.00 175.10 173.20 1ot3 s PRO 176 N 1.96 1.99 0.46 4.82 0.02 -1.26 -4.88 135.00 138.11 1ot3 s PRO 176 Ca 0.64 1.81 0.20 0.00 0.02 0.00 0.00 61.00 63.67 1ot3 s PRO 176 Cb -0.33 -1.81 1.19 0.00 0.02 0.00 0.00 34.50 33.57 1ot3 s PRO 176 CO 0.28 -1.96 1.93 1.25 -0.33 0.00 0.00 177.00 178.16 1ot3 h LEU 177 N -0.42 0.25 -1.23 -5.54 5.85 -1.95 -0.48 115.31 111.80 1ot3 h LEU 177 Ca -0.48 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 1ot3 h LEU 177 Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1ot3 h LEU 177 CO 0.49 0.12 -0.19 0.50 -0.34 0.00 0.00 178.44 179.02 1ot3 h LYS 178 N 0.27 0.29 0.09 1.25 3.64 -1.98 -1.86 116.57 118.27 1ot3 h LYS 178 Ca 0.36 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1ot3 h LYS 178 Cb 1.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1ot3 h LYS 178 CO -0.09 0.48 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.61 1ot3 h TYR 179 N 0.27 -0.11 0.00 1.91 3.20 -1.42 -1.22 116.97 119.60 1ot3 h TYR 179 Ca 0.05 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ot3 h TYR 179 Cb 0.50 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1ot3 h TYR 179 CO 0.01 0.12 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.56 1ot3 h LEU 180 N -0.33 0.00 -0.07 2.82 3.38 -1.44 -1.66 115.31 118.01 1ot3 h LEU 180 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ot3 h LEU 180 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ot3 h LEU 180 CO 0.02 0.02 -0.10 1.56 0.09 0.00 0.00 178.44 180.03 1ot3 h GLN 181 N 0.00 0.19 -0.81 1.13 4.20 -0.92 -0.95 115.11 117.95 1ot3 h GLN 181 Ca -0.00 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.63 1ot3 h GLN 181 Cb 0.03 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1ot3 h GLN 181 CO 0.00 0.66 0.51 0.93 -0.67 0.00 0.00 178.83 180.27 1ot3 h GLU 182 N -0.27 0.97 -0.52 1.46 5.08 -0.68 -1.65 114.58 118.96 1ot3 h GLU 182 Ca 0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1ot3 h GLU 182 Cb 0.64 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1ot3 h GLU 182 CO 0.02 0.64 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.52 1ot3 h LEU 183 N 0.99 0.94 0.29 1.33 3.38 -1.32 -2.75 115.31 118.18 1ot3 h LEU 183 Ca 0.33 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ot3 h LEU 183 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1ot3 h LEU 183 CO -0.12 1.05 -0.21 -0.74 0.09 0.00 0.00 178.44 178.51 1ot3 h HIS 184 N 0.86 -0.55 -0.54 1.13 2.76 -0.37 -1.61 115.15 116.82 1ot3 h HIS 184 Ca 0.14 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.41 1ot3 h HIS 184 Cb 0.62 0.20 -0.08 0.00 1.55 0.00 0.00 27.41 29.70 1ot3 h HIS 184 CO 0.04 -0.32 0.07 0.93 -1.30 0.00 0.00 177.93 177.35 1ot3 h GLU 185 N -0.50 0.19 -0.20 5.26 4.39 -1.27 0.53 114.58 122.99 1ot3 h GLU 185 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ot3 h GLU 185 Cb 0.43 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1ot3 h GLU 185 CO 0.00 0.13 0.13 -0.07 -1.16 0.00 0.00 179.01 178.04 1ot3 h LEU 186 N 0.19 0.22 -0.16 1.33 3.38 -1.24 0.27 115.31 119.31 1ot3 h LEU 186 Ca 0.28 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 58.01 1ot3 h LEU 186 Cb 0.41 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ot3 h LEU 186 CO -0.39 0.16 -0.83 0.45 0.09 0.00 0.00 178.44 177.91 1ot3 h HIS 187 N 0.26 1.00 -0.32 1.13 3.86 0.02 -2.67 115.15 118.43 1ot3 h HIS 187 Ca 0.07 -0.47 -0.04 0.00 -1.16 0.00 0.00 60.37 58.78 1ot3 h HIS 187 Cb -0.02 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1ot3 h HIS 187 CO -0.00 1.29 0.06 0.93 0.86 0.00 0.00 177.93 181.07 1ot3 h GLU 188 N 0.48 0.52 0.00 2.45 4.39 0.01 0.40 114.58 122.83 1ot3 h GLU 188 Ca -0.07 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1ot3 h GLU 188 Cb 1.46 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1ot3 h GLU 188 CO 0.17 0.61 -0.11 -0.44 -1.16 0.00 0.00 179.01 178.07 1ot3 h ASP 189 N 0.36 0.00 0.14 1.42 3.32 -0.52 0.31 116.42 121.45 1ot3 h ASP 189 Ca 0.10 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.79 1ot3 h ASP 189 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1ot3 h ASP 189 CO 0.00 0.11 -2.06 1.87 -1.72 0.00 0.00 179.24 177.44 1ot3 n TRP 190 N -4.31 1.00 0.85 4.55 -0.00 -1.01 -3.39 117.44 115.13 1ot3 n TRP 190 Ca -0.03 0.23 0.09 0.00 -0.00 0.00 0.00 57.50 57.79 1ot3 n TRP 190 Cb 0.18 -1.14 -0.11 0.00 -0.00 0.00 0.00 31.31 30.25 1ot3 n TRP 190 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1ot3 n LEU 191 N -3.38 0.85 0.04 5.87 4.77 0.14 -4.45 117.00 120.83 1ot3 n LEU 191 Ca -0.33 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1ot3 n LEU 191 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1ot3 n LEU 191 CO 0.40 0.21 0.00 -0.38 -1.33 0.00 0.00 177.39 176.30 1ot3 n ILE 192 N -1.50 0.83 0.80 -0.08 2.08 0.82 -4.75 119.36 117.56 1ot3 n ILE 192 Ca 0.03 0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.62 1ot3 n ILE 192 Cb 0.32 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 1ot3 n ILE 192 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1ot3 n HIS 193 N -3.19 0.00 -2.39 1.39 8.25 0.31 -5.01 115.22 114.58 1ot3 n HIS 193 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1ot3 n HIS 193 Cb 0.00 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1ot3 n HIS 193 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1ot3 n GLN 194 N 0.21 0.00 0.00 -0.41 7.27 -1.22 -4.89 117.38 118.34 1ot3 n GLN 194 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1ot3 n GLN 194 Cb 0.25 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.90 1ot3 n GLN 194 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ot3 s LYS 201 N 0.00 3.77 -0.16 0.00 -0.14 -1.26 -4.87 119.74 117.08 1ot3 s LYS 201 Ca 0.00 2.21 0.01 0.00 -1.36 0.00 0.00 55.97 56.84 1ot3 s LYS 201 Cb 0.00 -2.64 0.01 0.00 -1.68 0.00 0.00 37.83 33.52 1ot3 s LYS 201 CO 0.00 -0.68 -0.19 0.08 -0.76 0.00 0.00 175.35 173.80 1ot3 s VAL 202 N -1.27 2.31 -0.37 3.17 1.01 -1.26 -2.11 120.40 121.88 1ot3 s VAL 202 Ca 0.60 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1ot3 s VAL 202 Cb -0.39 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1ot3 s VAL 202 CO 0.50 0.53 0.25 -0.76 0.00 0.00 0.00 175.10 175.62 1ot3 s LEU 203 N 0.95 4.76 -0.17 3.92 1.02 0.11 -4.95 118.68 124.31 1ot3 s LEU 203 Ca -0.03 -0.70 -0.20 0.00 0.02 0.00 0.00 54.13 53.21 1ot3 s LEU 203 Cb -0.15 -2.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 1ot3 s LEU 203 CO -0.04 -0.34 0.60 -0.69 0.02 0.00 0.00 176.35 175.91 1ot3 s VAL 204 N 1.67 5.06 -0.03 -1.59 1.01 -1.26 0.04 120.40 125.30 1ot3 s VAL 204 Ca 0.05 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.26 1ot3 s VAL 204 Cb -0.18 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1ot3 s VAL 204 CO 0.09 0.17 -0.24 -0.76 0.00 0.00 0.00 175.10 174.36 1ot3 s LEU 205 N 1.56 2.04 -0.90 3.92 1.43 0.63 -4.96 118.68 122.42 1ot3 s LEU 205 Ca 0.29 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 1ot3 s LEU 205 Cb -0.16 -1.27 0.07 0.00 0.03 0.00 0.00 46.19 44.86 1ot3 s LEU 205 CO 0.11 0.28 1.27 -0.62 0.23 0.00 0.00 176.35 177.62 1ot3 s ASP 206 N -0.44 6.43 -1.06 2.29 3.68 -1.26 -1.30 116.67 125.00 1ot3 s ASP 206 Ca 0.06 -1.37 -0.14 0.00 2.13 0.00 0.00 52.55 53.23 1ot3 s ASP 206 Cb -0.11 -2.50 -0.08 0.00 -1.45 0.00 0.00 42.92 38.78 1ot3 s ASP 206 CO 0.00 -1.44 2.17 0.00 0.13 0.00 0.00 175.17 176.04 1ot3 n ALA 207 N 8.20 4.72 -1.30 3.66 0.00 -0.90 -5.00 120.51 129.90 1ot3 n ALA 207 Ca 0.20 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1ot3 n ALA 207 Cb 0.49 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.55 1ot3 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25