#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot3 n LYS 13 N 0.00 0.06 -2.45 -0.78 5.02 -1.26 -4.93 118.16 113.81 1ot3 n LYS 13 Ca 0.00 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 1ot3 n LYS 13 Cb 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 35.03 32.94 1ot3 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ot3 s TYR 14 N -2.15 3.53 -1.62 2.13 5.04 0.38 -3.40 117.35 121.26 1ot3 s TYR 14 Ca 0.65 1.56 -0.01 0.00 -2.44 0.00 0.00 57.07 56.84 1ot3 s TYR 14 Cb -0.28 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 38.69 1ot3 s TYR 14 CO 0.59 -0.80 0.09 0.00 -1.34 0.00 0.00 175.55 174.08 1ot3 n ALA 15 N 2.13 -0.70 -2.77 3.97 0.00 -1.26 -3.51 120.51 118.36 1ot3 n ALA 15 Ca 0.02 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1ot3 n ALA 15 Cb 0.45 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 -5.15 3.52 0.00 0.00 2.12 -1.22 -3.37 118.70 114.60 1ot3 s GLU 16 Ca 0.05 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 54.03 1ot3 s GLU 16 Cb -0.02 -4.96 0.00 0.00 0.26 0.00 0.00 34.13 29.41 1ot3 s GLU 16 CO 0.06 -1.95 0.00 0.41 -0.54 0.00 0.00 175.26 173.23 1ot3 n GLY 17 N 5.97 0.31 0.02 -1.50 0.00 -1.26 -4.96 105.19 103.77 1ot3 n GLY 17 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 1.18 -4.08 2.61 -2.24 -1.22 -5.00 114.28 105.53 1ot3 n THR 18 Ca 0.00 -1.26 -0.35 0.00 -2.27 0.00 0.00 64.05 60.18 1ot3 n THR 18 Cb 0.00 0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.38 3.38 0.00 -0.78 -1.52 -1.26 -4.65 119.66 113.45 1ot3 s GLN 19 Ca 0.07 -0.64 0.00 0.00 -1.95 0.00 0.00 55.36 52.84 1ot3 s GLN 19 Cb 0.06 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 1ot3 s GLN 19 CO 0.01 -0.11 0.00 -0.35 -0.25 0.00 0.00 175.29 174.59 1ot3 n PRO 20 N 4.51 3.18 -3.07 2.91 -0.04 -1.26 -4.92 135.00 136.31 1ot3 n PRO 20 Ca -0.18 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.84 1ot3 n PRO 20 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 1ot3 n PRO 20 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ot3 s PHE 21 N 0.00 2.96 -0.10 0.54 5.36 -1.16 -4.95 117.98 120.63 1ot3 s PHE 21 Ca 0.00 -0.63 -0.13 0.00 -0.96 0.00 0.00 56.93 55.21 1ot3 s PHE 21 Cb 0.00 -3.84 -0.05 0.00 -0.34 0.00 0.00 43.02 38.79 1ot3 s PHE 21 CO 0.00 -1.23 0.31 0.99 -1.46 0.00 0.00 175.22 173.83 1ot3 s THR 22 N 2.96 5.25 -0.17 0.12 2.01 -1.26 -0.63 115.64 123.93 1ot3 s THR 22 Ca 0.16 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1ot3 s THR 22 Cb -0.20 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1ot3 s THR 22 CO 0.11 0.48 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.67 1ot3 s VAL 23 N -0.23 2.57 -0.29 3.82 1.01 0.18 -3.08 120.40 124.38 1ot3 s VAL 23 Ca 0.19 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1ot3 s VAL 23 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1ot3 s VAL 23 CO 0.07 0.51 0.17 -0.76 0.00 0.00 0.00 175.10 175.09 1ot3 s LEU 24 N 0.97 3.98 -0.63 3.92 1.43 -0.79 -0.22 118.68 127.34 1ot3 s LEU 24 Ca -0.02 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 1ot3 s LEU 24 Cb -0.15 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.09 1ot3 s LEU 24 CO -0.03 -0.09 0.87 -0.63 0.23 0.00 0.00 176.35 176.70 1ot3 s ILE 25 N 1.70 4.50 0.19 -0.59 -1.09 0.51 -1.77 121.20 124.66 1ot3 s ILE 25 Ca 0.06 -0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 1ot3 s ILE 25 Cb -0.16 -4.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.06 1ot3 s ILE 25 CO 0.09 -1.34 0.39 -1.61 -1.23 0.00 0.00 174.94 171.24 1ot3 s GLU 26 N 3.58 3.54 0.00 2.79 0.41 -0.62 -0.97 118.70 127.43 1ot3 s GLU 26 Ca 0.18 -0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.47 1ot3 s GLU 26 Cb -0.19 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1ot3 s GLU 26 CO 0.09 0.41 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 1ot3 n GLY 27 N -0.49 2.23 3.60 -1.39 0.00 -1.26 -1.80 105.19 106.08 1ot3 n GLY 27 Ca -0.04 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 1.73 -0.45 1.61 3.84 -1.26 -4.89 114.94 115.53 1ot3 s ASN 28 Ca 0.00 1.16 -0.28 0.00 0.21 0.00 0.00 52.86 53.95 1ot3 s ASN 28 Cb 0.00 -1.80 -0.01 0.00 -0.55 0.00 0.00 41.25 38.89 1ot3 s ASN 28 CO 0.00 -3.68 1.70 -0.63 -2.79 0.00 0.00 177.10 171.70 1ot3 s ILE 29 N -2.81 3.55 0.00 -5.21 1.01 -1.26 -2.53 121.20 113.96 1ot3 s ILE 29 Ca 0.67 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1ot3 s ILE 29 Cb -0.19 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1ot3 s ILE 29 CO 0.59 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1ot3 n GLY 30 N 5.42 1.91 1.20 6.18 0.00 -1.26 -4.71 105.19 113.93 1ot3 n GLY 30 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 3.49 -1.95 1.61 3.41 -1.05 -4.26 113.62 114.87 1ot3 n SER 31 Ca 0.00 -1.99 -0.09 0.00 -0.26 0.00 0.00 58.87 56.53 1ot3 n SER 31 Cb 0.00 -0.42 0.04 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.54 0.19 0.14 5.00 0.00 -1.26 -4.89 105.19 105.90 1ot3 n GLY 32 Ca 0.22 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.96 0.45 -0.32 1.61 1.57 -1.92 -2.94 116.57 114.07 1ot3 h LYS 33 Ca -0.25 -0.77 -0.02 0.00 -1.87 0.00 0.00 60.65 57.74 1ot3 h LYS 33 Cb 1.15 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1ot3 h LYS 33 CO 0.22 1.36 0.12 1.15 -0.57 0.00 0.00 179.45 181.73 1ot3 h THR 34 N 0.12 1.19 0.01 -0.16 2.02 -2.00 -1.72 112.91 112.38 1ot3 h THR 34 Ca -0.28 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1ot3 h THR 34 Cb 2.12 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1ot3 h THR 34 CO 0.23 0.20 -0.01 0.74 0.37 0.00 0.00 175.52 177.05 1ot3 h THR 35 N 0.36 1.09 -0.83 3.16 2.02 -1.99 -2.85 112.91 113.88 1ot3 h THR 35 Ca 0.10 -0.33 0.14 0.00 0.77 0.00 0.00 66.41 67.10 1ot3 h THR 35 Cb 0.20 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 1ot3 h THR 35 CO -0.01 0.08 0.54 0.22 0.37 0.00 0.00 175.52 176.73 1ot3 h TYR 36 N -0.16 0.69 0.00 3.16 3.20 -1.41 -1.65 116.97 120.81 1ot3 h TYR 36 Ca -0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 1ot3 h TYR 36 Cb 0.15 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1ot3 h TYR 36 CO -0.03 0.27 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.20 1ot3 h LEU 37 N 0.60 0.00 -2.48 2.82 3.38 -1.08 -2.95 115.31 115.60 1ot3 h LEU 37 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ot3 h LEU 37 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ot3 h LEU 37 CO -0.17 0.49 0.00 0.78 0.09 0.00 0.00 178.44 179.64 1ot3 h ASN 38 N 0.00 0.00 0.36 -0.43 4.21 -1.15 -1.33 115.58 117.25 1ot3 h ASN 38 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ot3 h ASN 38 Cb 0.92 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 1ot3 h ASN 38 CO 0.06 0.00 0.00 0.45 -1.29 0.00 0.00 177.43 176.65 1ot3 h HIS 39 N 0.00 0.00 -0.45 1.19 3.86 -1.59 0.07 115.15 118.23 1ot3 h HIS 39 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ot3 h HIS 39 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1ot3 h HIS 39 CO 0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 1ot3 n PHE 40 N -2.75 0.84 0.43 2.45 3.01 -0.50 -4.63 117.46 116.32 1ot3 n PHE 40 Ca -0.01 -0.60 -0.18 0.00 1.01 0.00 0.00 57.45 57.67 1ot3 n PHE 40 Cb 0.14 -0.13 -0.09 0.00 -0.01 0.00 0.00 39.48 39.40 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 2.72 -1.04 0.00 -1.08 4.57 -1.05 -2.59 114.58 116.10 1ot3 h GLU 41 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1ot3 h GLU 41 Cb 1.06 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1ot3 h GLU 41 CO 0.09 -0.68 0.00 0.36 -1.18 0.00 0.00 179.01 177.60 1ot3 n LYS 42 N -5.52 0.04 -0.66 1.92 2.85 -1.26 -1.64 118.16 113.89 1ot3 n LYS 42 Ca -0.14 0.31 0.03 0.00 -1.05 0.00 0.00 58.31 57.46 1ot3 n LYS 42 Cb 0.43 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.58 1ot3 n LYS 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ot3 n TYR 43 N -1.36 1.35 0.77 5.58 0.53 -0.98 -4.69 117.16 118.37 1ot3 n TYR 43 Ca 0.02 -1.06 0.00 0.00 -1.02 0.00 0.00 57.90 55.83 1ot3 n TYR 43 Cb 0.04 -0.44 0.00 0.00 -1.03 0.00 0.00 39.34 37.91 1ot3 n TYR 43 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 1ot3 n LYS 44 N -0.48 0.69 -0.04 -0.72 5.02 -0.65 -2.06 118.16 119.93 1ot3 n LYS 44 Ca 0.28 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.56 1ot3 n LYS 44 Cb 1.04 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 34.66 1ot3 n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ot3 n ASN 45 N 0.07 2.38 -0.00 4.39 3.02 -1.26 -4.62 115.26 119.23 1ot3 n ASN 45 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 1ot3 n ASN 45 Cb 0.15 1.04 -0.07 0.00 -0.61 0.00 0.00 39.78 40.29 1ot3 n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ot3 n ASP 46 N -2.21 2.16 -4.27 6.41 9.92 -1.10 -5.00 116.55 122.46 1ot3 n ASP 46 Ca -0.12 -0.18 -0.25 0.00 -0.53 0.00 0.00 54.79 53.70 1ot3 n ASP 46 Cb 0.65 1.34 -0.14 0.00 -0.64 0.00 0.00 41.12 42.33 1ot3 n ASP 46 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ot3 s ILE 47 N -2.49 1.74 -0.36 0.53 1.01 -0.88 -4.10 121.20 116.65 1ot3 s ILE 47 Ca -0.02 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.13 1ot3 s ILE 47 Cb 0.07 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 1ot3 s ILE 47 CO 0.41 0.13 0.41 0.00 0.00 0.00 0.00 174.94 175.88 1ot3 s LEU 49 N 2.12 4.15 -0.38 0.00 1.98 -1.26 -0.03 118.68 125.26 1ot3 s LEU 49 Ca 0.13 -0.36 0.02 0.00 -2.89 0.00 0.00 54.13 51.04 1ot3 s LEU 49 Cb -0.16 -2.06 0.11 0.00 0.66 0.00 0.00 46.19 44.73 1ot3 s LEU 49 CO 0.12 -0.16 0.11 -0.76 -1.89 0.00 0.00 176.35 173.77 1ot3 s LEU 50 N 1.68 4.86 0.92 -0.68 1.43 0.22 -4.99 118.68 122.11 1ot3 s LEU 50 Ca 0.06 -2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 50.83 1ot3 s LEU 50 Cb -0.17 -1.68 0.14 0.00 0.03 0.00 0.00 46.19 44.52 1ot3 s LEU 50 CO 0.08 -0.41 1.12 0.42 0.23 0.00 0.00 176.35 177.79 1ot3 s THR 51 N 0.85 2.16 0.24 5.49 -4.23 -1.26 -1.61 115.64 117.28 1ot3 s THR 51 Ca 0.11 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.37 1ot3 s THR 51 Cb -0.20 -2.72 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 1ot3 s THR 51 CO -0.06 -0.07 1.50 -1.61 -0.54 0.00 0.00 174.62 173.84 1ot3 s GLU 52 N -5.17 4.22 0.00 3.99 2.02 -1.26 -4.72 118.70 117.78 1ot3 s GLU 52 Ca 0.64 2.38 0.00 0.00 0.02 0.00 0.00 54.97 58.01 1ot3 s GLU 52 Cb -0.16 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1ot3 s GLU 52 CO 0.55 -0.51 0.16 -2.30 0.02 0.00 0.00 175.26 173.18 1ot3 n PRO 53 N 2.60 0.14 0.13 0.39 -0.02 -1.26 -4.17 135.00 132.81 1ot3 n PRO 53 Ca 0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.69 1ot3 n PRO 53 Cb 0.39 -1.43 0.63 0.00 -0.02 0.00 0.00 33.50 33.07 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 1.05 0.91 0.00 -1.45 2.07 -1.99 0.28 116.25 117.11 1ot3 h VAL 54 Ca 0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ot3 h VAL 54 Cb 0.14 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ot3 h VAL 54 CO 0.00 0.01 -0.00 1.05 0.02 0.00 0.00 177.57 178.65 1ot3 h GLU 55 N 0.07 0.00 0.00 1.57 9.09 -1.99 -1.49 114.58 121.84 1ot3 h GLU 55 Ca 0.12 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.38 1ot3 h GLU 55 Cb 0.37 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.45 1ot3 h GLU 55 CO -0.01 0.00 -0.86 0.87 0.05 0.00 0.00 179.01 179.06 1ot3 h LYS 56 N 0.00 0.00 -0.47 1.06 1.57 -0.76 -3.19 116.57 114.77 1ot3 h LYS 56 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1ot3 h LYS 56 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1ot3 h LYS 56 CO 0.00 0.78 0.31 -1.49 -0.57 0.00 0.00 179.45 178.48 1ot3 h TRP 57 N -1.00 0.52 0.00 -1.35 6.55 -1.26 0.32 115.95 119.74 1ot3 h TRP 57 Ca -0.21 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.60 1ot3 h TRP 57 Cb 1.05 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 29.17 1ot3 h TRP 57 CO 0.07 0.31 -0.20 -0.09 -1.05 0.00 0.00 178.44 177.47 1ot3 h ARG 58 N 0.54 0.00 -2.56 0.49 2.43 -1.42 -1.70 114.38 112.16 1ot3 h ARG 58 Ca 0.19 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.80 1ot3 h ARG 58 Cb 0.08 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.24 1ot3 h ARG 58 CO -0.05 0.20 -0.83 1.21 -1.51 0.00 0.00 179.97 179.00 1ot3 s ASN 59 N -6.15 2.90 -0.68 -3.80 2.47 0.09 -3.82 114.94 105.95 1ot3 s ASN 59 Ca 0.01 -2.04 -0.02 0.00 0.42 0.00 0.00 52.86 51.23 1ot3 s ASN 59 Cb 0.09 -0.32 0.17 0.00 -1.45 0.00 0.00 41.25 39.74 1ot3 s ASN 59 CO 0.64 -0.32 0.50 -0.69 -3.72 0.00 0.00 177.10 173.51 1ot3 s VAL 60 N 1.21 3.78 -1.66 -5.21 1.01 0.15 -4.63 120.40 115.05 1ot3 s VAL 60 Ca 0.17 -3.21 0.00 0.00 0.00 0.00 0.00 61.98 58.94 1ot3 s VAL 60 Cb -0.22 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1ot3 s VAL 60 CO -0.03 -0.92 0.00 0.59 0.00 0.00 0.00 175.10 174.73 1ot3 n ASN 61 N 3.18 -5.47 0.00 3.32 4.13 -1.26 -1.98 115.26 117.17 1ot3 n ASN 61 Ca 0.11 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1ot3 n ASN 61 Cb 0.37 -4.53 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 1ot3 n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ot3 n GLY 62 N -0.98 2.35 3.80 7.41 0.00 -1.26 -5.08 105.19 111.42 1ot3 n GLY 62 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.46 5.20 -0.91 1.61 1.01 -0.84 -5.00 120.40 119.01 1ot3 s VAL 63 Ca 0.00 0.68 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 1ot3 s VAL 63 Cb 0.00 -3.66 0.23 0.00 0.00 0.00 0.00 36.38 32.95 1ot3 s VAL 63 CO 0.00 0.50 0.83 0.21 0.00 0.00 0.00 175.10 176.65 1ot3 s ASN 64 N -0.43 6.52 0.33 3.32 2.47 -1.25 0.33 114.94 126.23 1ot3 s ASN 64 Ca 0.21 -3.28 0.01 0.00 0.42 0.00 0.00 52.86 50.22 1ot3 s ASN 64 Cb -0.15 -2.08 0.58 0.00 -1.45 0.00 0.00 41.25 38.15 1ot3 s ASN 64 CO 0.09 -0.35 1.99 -0.07 -3.72 0.00 0.00 177.10 175.04 1ot3 h LEU 65 N 6.85 0.77 -0.55 3.21 3.38 -1.55 -1.72 115.31 125.71 1ot3 h LEU 65 Ca 0.13 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ot3 h LEU 65 Cb 0.92 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1ot3 h LEU 65 CO 0.86 0.58 0.36 0.25 0.09 0.00 0.00 178.44 180.57 1ot3 h LEU 66 N 0.90 0.62 -0.22 1.67 5.85 -1.85 0.12 115.31 122.39 1ot3 h LEU 66 Ca 0.24 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 1ot3 h LEU 66 Cb -0.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1ot3 h LEU 66 CO -0.05 0.45 -0.67 -0.08 -0.34 0.00 0.00 178.44 177.75 1ot3 h GLU 67 N 0.73 0.00 -0.14 1.25 4.81 -1.81 -3.26 114.58 116.16 1ot3 h GLU 67 Ca 0.20 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.27 1ot3 h GLU 67 Cb -0.07 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ot3 h GLU 67 CO -0.05 0.67 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.29 1ot3 h LEU 68 N 0.00 0.72 -1.15 1.64 3.38 -0.96 -1.60 115.31 117.34 1ot3 h LEU 68 Ca -0.01 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.43 1ot3 h LEU 68 Cb 1.42 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1ot3 h LEU 68 CO 0.09 1.21 0.59 -0.03 0.09 0.00 0.00 178.44 180.39 1ot3 h MET 69 N 0.27 0.96 0.13 1.13 4.05 -0.83 0.39 114.93 121.02 1ot3 h MET 69 Ca -0.03 -0.06 -0.27 0.00 -0.28 0.00 0.00 59.70 59.06 1ot3 h MET 69 Cb 1.17 -0.22 0.01 0.00 -0.80 0.00 0.00 31.60 31.76 1ot3 h MET 69 CO 0.11 0.63 -1.24 1.88 0.23 0.00 0.00 176.91 178.52 1ot3 h TYR 70 N 0.99 0.50 -0.24 1.39 0.99 -1.60 -1.86 116.97 117.13 1ot3 h TYR 70 Ca 0.41 -0.37 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1ot3 h TYR 70 Cb 0.29 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.00 1ot3 h TYR 70 CO -0.00 1.28 -0.12 -0.22 -0.00 0.00 0.00 178.16 179.11 1ot3 h LYS 71 N 0.08 0.51 -2.18 4.88 3.64 -0.55 -3.39 116.57 119.55 1ot3 h LYS 71 Ca -0.13 -0.22 -0.55 0.00 -1.27 0.00 0.00 60.65 58.47 1ot3 h LYS 71 Cb 1.97 -0.02 -0.36 0.00 -0.41 0.00 0.00 32.23 33.41 1ot3 h LYS 71 CO 0.20 0.77 -0.96 -3.47 -2.27 0.00 0.00 179.45 173.72 1ot3 n ASP 72 N -4.49 -0.62 -0.15 4.20 -0.08 0.13 -5.02 116.55 110.51 1ot3 n ASP 72 Ca -0.04 -2.47 -0.03 0.00 -1.51 0.00 0.00 54.79 50.73 1ot3 n ASP 72 Cb 0.34 -0.38 0.03 0.00 2.34 0.00 0.00 41.12 43.46 1ot3 n ASP 72 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ot3 h PRO 73 N 5.31 -0.01 0.00 -0.67 0.11 -1.50 -1.43 132.00 133.81 1ot3 h PRO 73 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1ot3 h PRO 73 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ot3 h PRO 73 CO 0.36 -0.01 0.04 0.87 -0.21 0.00 0.00 178.00 179.06 1ot3 h LYS 74 N -0.01 0.00 0.00 1.05 6.56 -1.86 -0.78 116.57 121.52 1ot3 h LYS 74 Ca 0.23 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.59 1ot3 h LYS 74 Cb 0.37 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.98 1ot3 h LYS 74 CO -0.50 0.00 -1.88 1.17 -2.06 0.00 0.00 179.45 176.18 1ot3 n LYS 75 N -2.52 1.14 -0.00 3.15 4.81 -0.62 -4.77 118.16 119.35 1ot3 n LYS 75 Ca -0.02 0.05 0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1ot3 n LYS 75 Cb 0.09 -1.32 -0.05 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.73 0.00 -0.23 5.64 7.02 -0.70 -4.60 117.44 121.84 1ot3 n TRP 76 Ca -0.24 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.23 1ot3 n TRP 76 Cb 0.85 -0.01 0.11 0.00 -2.42 0.00 0.00 31.31 29.84 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 1.28 0.90 0.51 6.99 0.00 -1.33 0.35 119.26 127.96 1ot3 h ALA 77 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ot3 h ALA 77 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ot3 h ALA 77 CO 0.00 -0.04 -0.26 1.98 0.00 0.00 0.00 179.25 180.93 1ot3 h MET 78 N 0.60 -0.68 -0.27 0.00 1.85 -1.81 0.39 114.93 115.00 1ot3 h MET 78 Ca 0.32 0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 59.34 1ot3 h MET 78 Cb 0.29 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.46 1ot3 h MET 78 CO -0.23 -0.45 -0.30 -1.00 -0.40 0.00 0.00 176.91 174.52 1ot3 h PRO 79 N -0.71 0.56 -0.02 0.39 0.13 -1.77 -2.68 132.00 127.90 1ot3 h PRO 79 Ca -0.07 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ot3 h PRO 79 Cb 0.55 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1ot3 h PRO 79 CO 0.10 0.80 0.01 0.35 -0.23 0.00 0.00 178.00 179.03 1ot3 h PHE 80 N 0.48 0.03 0.00 1.56 3.57 -0.17 -1.77 116.94 120.64 1ot3 h PHE 80 Ca 0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ot3 h PHE 80 Cb 0.76 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1ot3 h PHE 80 CO 0.03 0.16 -0.12 1.96 -2.23 0.00 0.00 178.31 178.11 1ot3 h GLN 81 N -0.10 0.00 -0.14 1.11 1.08 -0.94 -0.34 115.11 115.78 1ot3 h GLN 81 Ca 0.01 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.01 1ot3 h GLN 81 Cb 0.14 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1ot3 h GLN 81 CO -0.00 0.12 -0.69 1.03 -0.95 0.00 0.00 178.83 178.34 1ot3 h SER 82 N 0.00 0.84 -0.34 1.46 0.87 -1.18 -1.69 113.55 113.50 1ot3 h SER 82 Ca -0.00 -0.63 -0.13 0.00 -1.23 0.00 0.00 61.79 59.80 1ot3 h SER 82 Cb 0.44 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1ot3 h SER 82 CO 0.02 1.34 -0.28 0.22 -0.53 0.00 0.00 176.83 177.59 1ot3 h TYR 83 N 0.40 0.94 -0.60 2.24 3.20 -0.72 -2.23 116.97 120.21 1ot3 h TYR 83 Ca -0.05 -0.27 0.06 0.00 3.14 0.00 0.00 58.73 61.62 1ot3 h TYR 83 Cb 1.32 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.33 1ot3 h TYR 83 CO 0.10 1.04 0.29 0.28 -1.64 0.00 0.00 178.16 178.23 1ot3 h VAL 84 N 0.57 0.90 -0.32 1.81 2.07 -1.08 0.20 116.25 120.40 1ot3 h VAL 84 Ca 0.06 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ot3 h VAL 84 Cb 0.85 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1ot3 h VAL 84 CO 0.07 0.10 0.12 0.74 0.02 0.00 0.00 177.57 178.62 1ot3 h THR 85 N 0.54 0.92 0.71 2.57 2.02 -1.08 0.35 112.91 118.94 1ot3 h THR 85 Ca 0.28 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 1ot3 h THR 85 Cb 0.23 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1ot3 h THR 85 CO -0.21 0.05 -0.48 0.25 0.37 0.00 0.00 175.52 175.50 1ot3 h LEU 86 N 0.26 -1.24 -1.39 2.58 5.85 -0.58 -1.78 115.31 119.01 1ot3 h LEU 86 Ca 0.14 0.08 0.22 0.00 0.84 0.00 0.00 57.88 59.16 1ot3 h LEU 86 Cb 0.11 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1ot3 h LEU 86 CO -0.14 -0.72 0.63 0.71 -0.34 0.00 0.00 178.44 178.58 1ot3 h THR 87 N -1.13 0.63 -0.18 1.05 1.35 -0.49 0.56 112.91 114.70 1ot3 h THR 87 Ca -0.09 -0.16 -0.08 0.00 -0.55 0.00 0.00 66.41 65.54 1ot3 h THR 87 Cb 0.92 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1ot3 h THR 87 CO 0.06 0.08 -0.22 0.24 -0.25 0.00 0.00 175.52 175.43 1ot3 h MET 88 N 0.46 0.32 0.00 4.72 2.86 -0.40 -2.86 114.93 120.03 1ot3 h MET 88 Ca 0.53 -0.10 -0.21 0.00 -2.06 0.00 0.00 59.70 57.86 1ot3 h MET 88 Cb 1.26 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1ot3 h MET 88 CO -0.24 0.53 -0.90 -0.07 1.06 0.00 0.00 176.91 177.28 1ot3 h LEU 89 N 0.29 0.38 0.00 1.22 3.38 0.91 -2.03 115.31 119.46 1ot3 h LEU 89 Ca 0.05 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1ot3 h LEU 89 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ot3 h LEU 89 CO 0.04 1.11 0.00 0.00 0.09 0.00 0.00 178.44 179.68 1ot3 n GLN 90 N -3.70 0.47 -0.01 1.13 6.02 -0.30 -2.76 117.38 118.22 1ot3 n GLN 90 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.92 1ot3 n GLN 90 Cb 0.82 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.59 1ot3 n GLN 90 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ot3 n SER 91 N -0.98 3.82 0.09 1.08 7.64 -1.15 -4.17 113.62 119.95 1ot3 n SER 91 Ca 0.11 -0.01 0.08 0.00 1.01 0.00 0.00 58.87 60.06 1ot3 n SER 91 Cb 0.05 -0.00 0.38 0.00 -1.01 0.00 0.00 64.21 63.63 1ot3 n SER 91 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ot3 n HIS 92 N -2.55 0.46 -2.77 1.43 8.25 -0.78 -2.87 115.22 116.40 1ot3 n HIS 92 Ca -0.05 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1ot3 n HIS 92 Cb 0.56 -0.83 0.05 0.00 1.12 0.00 0.00 29.99 30.89 1ot3 n HIS 92 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ot3 n THR 93 N -1.94 0.98 -2.83 1.59 -2.24 -1.12 -4.34 114.28 104.37 1ot3 n THR 93 Ca 0.01 -2.47 -0.28 0.00 -2.27 0.00 0.00 64.05 59.04 1ot3 n THR 93 Cb 0.12 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1ot3 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ot3 s ALA 94 N -2.94 3.45 -0.04 6.98 0.00 -1.14 -4.99 121.76 123.09 1ot3 s ALA 94 Ca 0.27 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1ot3 s ALA 94 Cb 0.33 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1ot3 s ALA 94 CO -0.07 -0.18 1.55 -1.25 0.00 0.00 0.00 175.76 175.82 1ot3 s PRO 95 N -4.38 4.21 0.00 0.00 0.04 -1.26 -4.98 135.00 128.63 1ot3 s PRO 95 Ca 0.47 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.65 1ot3 s PRO 95 Cb -0.10 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.60 1ot3 s PRO 95 CO 0.40 -0.76 -0.14 -0.08 0.04 0.00 0.00 177.00 176.45 1ot3 s THR 96 N 3.46 1.14 -0.12 1.26 -1.32 -1.26 -5.02 115.64 113.78 1ot3 s THR 96 Ca 0.69 -0.71 0.16 0.00 -1.21 0.00 0.00 61.69 60.63 1ot3 s THR 96 Cb -0.32 -0.97 0.26 0.00 -1.51 0.00 0.00 72.50 69.96 1ot3 s THR 96 CO 0.27 0.25 1.14 -0.46 -2.21 0.00 0.00 174.62 173.61 1ot3 n ASN 97 N 2.53 2.34 -0.70 8.08 6.94 -1.26 -5.02 115.26 128.16 1ot3 n ASN 97 Ca -0.15 -2.94 0.00 0.00 -0.02 0.00 0.00 54.58 51.47 1ot3 n ASN 97 Cb 0.55 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1ot3 n ASN 97 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ot3 n LYS 98 N -1.29 2.64 0.00 -3.83 4.76 -1.26 -5.06 118.16 114.12 1ot3 n LYS 98 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1ot3 n LYS 98 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1ot3 n LYS 98 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ot3 n LYS 99 N -0.23 6.62 -3.79 1.97 4.76 -1.26 -4.88 118.16 121.35 1ot3 n LYS 99 Ca 0.00 -0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1ot3 n LYS 99 Cb 0.00 -0.47 -0.15 0.00 -1.84 0.00 0.00 35.03 32.56 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 -1.89 1.27 0.02 -0.35 2.96 -1.26 -3.00 118.68 116.43 1ot3 s LEU 100 Ca 0.00 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1ot3 s LEU 100 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 46.19 46.67 1ot3 s LEU 100 CO 0.00 -0.10 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.98 1ot3 s LYS 101 N 0.81 1.47 -0.06 1.98 2.20 0.20 -1.09 119.74 125.25 1ot3 s LYS 101 Ca -0.07 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 1ot3 s LYS 101 Cb -0.10 -1.52 0.01 0.00 -1.51 0.00 0.00 37.83 34.71 1ot3 s LYS 101 CO -0.02 0.40 -0.13 0.42 -0.36 0.00 0.00 175.35 175.66 1ot3 s ILE 102 N -0.68 1.16 -0.04 5.43 1.01 0.96 0.51 121.20 129.55 1ot3 s ILE 102 Ca 0.07 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1ot3 s ILE 102 Cb -0.08 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 1ot3 s ILE 102 CO 0.01 0.36 -0.17 -0.04 0.00 0.00 0.00 174.94 175.09 1ot3 s MET 103 N 0.54 1.82 -0.37 2.79 -1.94 0.69 -0.61 119.30 122.21 1ot3 s MET 103 Ca -0.12 -0.62 -0.25 0.00 -1.71 0.00 0.00 55.69 52.99 1ot3 s MET 103 Cb -0.15 -1.57 0.01 0.00 2.01 0.00 0.00 34.83 35.13 1ot3 s MET 103 CO 0.03 0.24 0.87 -2.00 -0.01 0.00 0.00 175.02 174.16 1ot3 s GLU 104 N 0.05 3.78 0.38 2.03 2.12 -0.63 -0.36 118.70 126.06 1ot3 s GLU 104 Ca -0.04 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.73 1ot3 s GLU 104 Cb -0.12 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1ot3 s GLU 104 CO 0.02 -0.93 0.00 0.54 -0.54 0.00 0.00 175.26 174.35 1ot3 n ARG 105 N 6.66 -2.14 -1.01 4.30 5.12 -0.14 -4.36 116.66 125.08 1ot3 n ARG 105 Ca 0.05 1.70 0.00 0.00 -1.93 0.00 0.00 57.85 57.67 1ot3 n ARG 105 Cb 0.48 -2.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.25 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 -3.61 0.00 0.11 0.55 3.41 -1.26 -4.72 113.62 108.10 1ot3 n SER 106 Ca -0.05 -0.51 0.12 0.00 -0.26 0.00 0.00 58.87 58.17 1ot3 n SER 106 Cb 0.45 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.51 0.00 -0.00 -1.33 2.10 -1.96 -3.17 117.51 113.65 1ot3 h ILE 107 Ca 0.00 -0.84 -0.22 0.00 1.08 0.00 0.00 64.86 64.88 1ot3 h ILE 107 Cb 0.00 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 1ot3 h ILE 107 CO 0.00 0.00 -0.93 -0.26 -1.08 0.00 0.00 178.15 175.88 1ot3 h PHE 108 N 0.00 0.59 0.00 2.19 -1.00 -1.99 -2.91 116.94 113.82 1ot3 h PHE 108 Ca 0.00 -0.32 -0.17 0.00 2.81 0.00 0.00 57.97 60.29 1ot3 h PHE 108 Cb 0.92 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.39 1ot3 h PHE 108 CO 0.00 1.13 -0.82 0.66 -1.61 0.00 0.00 178.31 177.67 1ot3 h SER 109 N 0.23 0.00 0.28 2.17 4.64 -1.97 -0.75 113.55 118.14 1ot3 h SER 109 Ca -0.07 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 1ot3 h SER 109 Cb 1.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 1ot3 h SER 109 CO 0.16 0.82 -0.40 0.00 -0.87 0.00 0.00 176.83 176.54 1ot3 h ALA 110 N 1.18 1.18 0.00 5.18 0.00 -1.55 -1.33 119.26 123.91 1ot3 h ALA 110 Ca -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1ot3 h ALA 110 Cb 1.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1ot3 h ALA 110 CO 0.11 0.56 -0.55 -0.09 0.00 0.00 0.00 179.25 179.28 1ot3 h ARG 111 N 0.15 0.00 -0.08 0.00 2.43 -1.47 -0.68 114.38 114.73 1ot3 h ARG 111 Ca 0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1ot3 h ARG 111 Cb 0.78 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1ot3 h ARG 111 CO 0.06 0.41 -0.32 1.88 -1.51 0.00 0.00 179.97 180.49 1ot3 h TYR 112 N -1.00 0.16 0.00 2.20 0.99 -1.24 -2.92 116.97 115.16 1ot3 h TYR 112 Ca -0.10 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1ot3 h TYR 112 Cb 0.70 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 38.39 1ot3 h TYR 112 CO -0.02 0.45 0.00 0.00 -0.00 0.00 0.00 178.16 178.59 1ot3 h PHE 114 N 0.00 -0.77 -0.64 0.00 -1.00 -1.59 0.33 116.94 113.27 1ot3 h PHE 114 Ca 0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1ot3 h PHE 114 Cb 0.00 0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 1ot3 h PHE 114 CO 0.00 -0.47 0.42 0.28 -1.61 0.00 0.00 178.31 176.93 1ot3 h VAL 115 N -0.84 1.17 -0.33 -0.55 2.07 -1.25 -0.04 116.25 116.49 1ot3 h VAL 115 Ca -0.08 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1ot3 h VAL 115 Cb 0.64 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ot3 h VAL 115 CO 0.14 0.16 -0.07 -0.08 0.02 0.00 0.00 177.57 177.74 1ot3 h GLU 116 N 0.87 0.63 -0.53 1.57 4.57 -1.40 -2.48 114.58 117.80 1ot3 h GLU 116 Ca 0.23 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1ot3 h GLU 116 Cb -0.09 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1ot3 h GLU 116 CO -0.05 0.80 -0.06 -0.97 -1.18 0.00 0.00 179.01 177.55 1ot3 h ASN 117 N 0.41 0.95 0.46 1.04 -0.00 -0.33 -2.29 115.58 115.81 1ot3 h ASN 117 Ca 0.08 -0.28 -0.02 0.00 -0.00 0.00 0.00 56.30 56.08 1ot3 h ASN 117 Cb 0.57 -0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 38.63 1ot3 h ASN 117 CO 0.03 1.03 -0.12 0.24 -0.00 0.00 0.00 177.43 178.62 1ot3 h MET 118 N 0.87 0.00 -0.03 6.67 2.86 -0.95 -1.18 114.93 123.17 1ot3 h MET 118 Ca 0.15 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.60 1ot3 h MET 118 Cb 0.59 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.27 1ot3 h MET 118 CO 0.04 0.12 -0.72 -0.09 1.06 0.00 0.00 176.91 177.31 1ot3 h ARG 119 N 0.00 0.54 -0.30 1.72 2.43 -0.95 0.16 114.38 117.99 1ot3 h ARG 119 Ca -0.00 -0.54 -0.10 0.00 -0.81 0.00 0.00 59.98 58.53 1ot3 h ARG 119 Cb 0.38 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1ot3 h ARG 119 CO 0.01 1.17 -0.24 0.00 -1.51 0.00 0.00 179.97 179.41 1ot3 h ARG 120 N 0.12 0.57 -0.50 0.20 3.08 -0.90 -3.06 114.38 113.88 1ot3 h ARG 120 Ca -0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1ot3 h ARG 120 Cb 1.40 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1ot3 h ARG 120 CO 0.14 0.76 0.00 0.27 -1.07 0.00 0.00 179.97 180.08 1ot3 n ASN 121 N -4.12 2.54 0.00 7.04 2.04 -0.52 -4.91 115.26 117.33 1ot3 n ASN 121 Ca -0.00 -2.13 0.00 0.00 -0.44 0.00 0.00 54.58 52.01 1ot3 n ASN 121 Cb 0.41 -0.36 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 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 0.93 2.06 0.34 4.83 0.00 -1.16 -4.91 105.19 107.29 1ot3 n GLY 122 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.80 -3.53 1.61 0.02 -1.28 -3.39 113.55 107.78 1ot3 h SER 123 Ca 0.00 -0.03 -0.67 0.00 -0.84 0.00 0.00 61.79 60.25 1ot3 h SER 123 Cb 0.00 -0.20 -0.29 0.00 0.14 0.00 0.00 62.40 62.05 1ot3 h SER 123 CO 0.00 0.60 -0.69 -0.76 -1.14 0.00 0.00 176.83 174.83 1ot3 s LEU 124 N -9.74 3.38 0.61 5.07 1.43 0.38 -4.09 118.68 115.72 1ot3 s LEU 124 Ca -0.10 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 1ot3 s LEU 124 Cb 0.17 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1ot3 s LEU 124 CO 0.78 -0.13 1.08 -1.61 0.23 0.00 0.00 176.35 176.69 1ot3 s GLU 125 N 1.42 3.15 0.22 1.70 2.02 -1.26 -4.53 118.70 121.41 1ot3 s GLU 125 Ca 0.02 1.27 -0.17 0.00 0.02 0.00 0.00 54.97 56.11 1ot3 s GLU 125 Cb -0.16 -2.00 0.23 0.00 0.10 0.00 0.00 34.13 32.29 1ot3 s GLU 125 CO -0.02 -0.96 1.57 0.37 0.02 0.00 0.00 175.26 176.25 1ot3 h GLN 126 N 0.31 -0.05 -0.34 1.61 5.75 -1.96 0.12 115.11 120.56 1ot3 h GLN 126 Ca -0.47 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.09 1ot3 h GLN 126 Cb 1.23 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.74 1ot3 h GLN 126 CO 0.56 -0.03 0.00 0.78 -2.65 0.00 0.00 178.83 177.49 1ot3 h GLY 127 N -0.05 0.34 1.01 2.39 0.00 -2.00 -0.43 103.07 104.32 1ot3 h GLY 127 Ca 0.33 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.64 1ot3 h GLY 127 CO -0.88 -0.07 0.16 -0.33 0.00 0.00 0.00 176.54 175.42 1ot3 h MET 128 N 0.10 0.94 -0.42 4.80 2.86 -1.51 -2.95 114.93 118.75 1ot3 h MET 128 Ca 0.16 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1ot3 h MET 128 Cb 0.22 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1ot3 h MET 128 CO -0.27 0.86 0.24 -0.92 1.06 0.00 0.00 176.91 177.87 1ot3 h TYR 129 N 0.85 0.57 -0.60 -0.22 3.20 -0.38 -2.82 116.97 117.58 1ot3 h TYR 129 Ca 0.19 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1ot3 h TYR 129 Cb 0.32 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1ot3 h TYR 129 CO 0.02 0.43 0.39 -0.91 -1.64 0.00 0.00 178.16 176.45 1ot3 h ASN 130 N 0.55 0.64 -0.50 -2.11 2.35 -0.99 -1.30 115.58 114.21 1ot3 h ASN 130 Ca 0.15 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1ot3 h ASN 130 Cb 0.04 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1ot3 h ASN 130 CO -0.02 0.45 -0.12 0.74 -1.65 0.00 0.00 177.43 176.82 1ot3 h THR 131 N 0.75 1.27 -0.58 2.81 2.02 -1.34 -0.28 112.91 117.56 1ot3 h THR 131 Ca 0.23 -1.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 1ot3 h THR 131 Cb 0.01 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1ot3 h THR 131 CO -0.06 0.44 0.00 -0.07 0.37 0.00 0.00 175.52 176.21 1ot3 h LEU 132 N 0.82 0.98 -0.77 2.58 3.38 -1.17 -2.52 115.31 118.61 1ot3 h LEU 132 Ca 0.13 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1ot3 h LEU 132 Cb 0.68 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ot3 h LEU 132 CO 0.05 1.03 -0.27 -0.33 0.09 0.00 0.00 178.44 179.01 1ot3 h GLU 133 N 0.92 0.63 -0.33 1.13 4.39 -1.03 -2.58 114.58 117.71 1ot3 h GLU 133 Ca 0.17 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1ot3 h GLU 133 Cb 0.53 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1ot3 h GLU 133 CO 0.03 0.83 -0.13 0.93 -1.16 0.00 0.00 179.01 179.51 1ot3 h GLU 134 N 0.54 0.58 -0.25 2.33 4.39 -0.81 -1.26 114.58 120.11 1ot3 h GLU 134 Ca 0.07 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1ot3 h GLU 134 Cb 0.74 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1ot3 h GLU 134 CO 0.06 0.70 -0.31 -1.49 -1.16 0.00 0.00 179.01 176.80 1ot3 h TRP 135 N 0.53 0.58 0.14 4.33 4.06 -1.24 -2.72 115.95 121.63 1ot3 h TRP 135 Ca 0.09 -0.14 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1ot3 h TRP 135 Cb 0.54 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1ot3 h TRP 135 CO 0.02 0.77 -0.07 1.88 -3.56 0.00 0.00 178.44 177.48 1ot3 h TYR 136 N 0.44 -0.17 -0.29 0.49 0.99 -1.04 -0.31 116.97 117.07 1ot3 h TYR 136 Ca 0.05 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.86 1ot3 h TYR 136 Cb 0.76 0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.54 1ot3 h TYR 136 CO 0.03 0.17 0.36 0.87 -0.00 0.00 0.00 178.16 179.59 1ot3 h LYS 137 N -0.54 0.00 0.00 4.88 1.57 -1.18 -1.62 116.57 119.68 1ot3 h LYS 137 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1ot3 h LYS 137 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1ot3 h LYS 137 CO 0.03 0.00 -0.31 0.35 -0.57 0.00 0.00 179.45 178.95 1ot3 h PHE 138 N 0.00 0.00 -0.87 -1.35 3.57 -1.17 -3.36 116.94 113.75 1ot3 h PHE 138 Ca 0.14 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.81 1ot3 h PHE 138 Cb 0.86 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.49 1ot3 h PHE 138 CO 0.00 1.00 0.43 0.82 -2.23 0.00 0.00 178.31 178.33 1ot3 h ILE 139 N -1.00 0.63 0.00 1.41 2.04 -0.12 0.59 117.51 121.05 1ot3 h ILE 139 Ca -0.08 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ot3 h ILE 139 Cb 0.97 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1ot3 h ILE 139 CO -0.05 0.10 0.00 -1.84 0.00 0.00 0.00 178.15 176.36 1ot3 n GLU 140 N -4.93 0.68 0.00 2.37 0.28 -0.86 -0.43 120.64 117.75 1ot3 n GLU 140 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1ot3 n GLU 140 Cb 0.52 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.07 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 0.19 3.08 -0.01 3.44 1.02 0.16 -4.89 120.64 123.63 1ot3 n GLU 141 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1ot3 n GLU 141 Cb 0.18 -0.26 -0.02 0.00 -0.02 0.00 0.00 31.44 31.33 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 0.00 4.20 -4.26 1.62 3.41 -0.95 -4.76 113.62 112.88 1ot3 n SER 142 Ca 0.00 -0.01 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1ot3 n SER 142 Cb 0.00 0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.05 3.11 -0.13 -1.33 1.01 0.42 -0.47 121.20 121.76 1ot3 s ILE 143 Ca -0.02 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1ot3 s ILE 143 Cb 0.01 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1ot3 s ILE 143 CO 0.08 0.34 1.06 -2.28 0.00 0.00 0.00 174.94 174.13 1ot3 s HIS 144 N 1.41 3.39 -0.26 3.97 5.65 -1.23 -4.43 115.29 123.80 1ot3 s HIS 144 Ca 0.04 1.48 -0.08 0.00 0.25 0.00 0.00 55.06 56.74 1ot3 s HIS 144 Cb -0.15 -3.26 -0.03 0.00 -1.18 0.00 0.00 32.58 27.96 1ot3 s HIS 144 CO -0.04 -0.53 0.10 0.08 -0.65 0.00 0.00 174.74 173.69 1ot3 s VAL 145 N 2.38 4.51 -0.39 0.89 1.01 -1.26 -4.77 120.40 122.76 1ot3 s VAL 145 Ca 0.49 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1ot3 s VAL 145 Cb -0.19 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1ot3 s VAL 145 CO 0.16 0.30 1.45 -1.58 0.00 0.00 0.00 175.10 175.43 1ot3 s GLN 146 N 1.64 3.58 -0.49 2.72 2.00 -1.26 -4.94 119.66 122.90 1ot3 s GLN 146 Ca 0.06 1.03 0.03 0.00 -2.00 0.00 0.00 55.36 54.49 1ot3 s GLN 146 Cb -0.15 -4.03 0.15 0.00 0.80 0.00 0.00 33.01 29.78 1ot3 s GLN 146 CO 0.05 -1.56 0.33 0.00 -0.50 0.00 0.00 175.29 173.61 1ot3 s ALA 147 N 5.50 2.30 -0.18 1.58 0.00 -1.26 -4.71 121.76 124.99 1ot3 s ALA 147 Ca 0.63 -2.83 -0.15 0.00 0.00 0.00 0.00 51.96 49.61 1ot3 s ALA 147 Cb -0.15 -1.86 -0.10 0.00 0.00 0.00 0.00 23.12 21.00 1ot3 s ALA 147 CO 0.32 -2.05 -0.04 -0.25 0.00 0.00 0.00 175.76 173.74 1ot3 n ASP 148 N 2.97 1.85 -4.01 0.00 8.00 -1.20 -4.52 116.55 119.64 1ot3 n ASP 148 Ca 0.18 0.51 -0.18 0.00 0.71 0.00 0.00 54.79 56.00 1ot3 n ASP 148 Cb 0.39 -0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 40.44 1ot3 n ASP 148 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ot3 s LEU 149 N -8.01 1.98 -0.18 0.64 2.96 -1.18 -3.87 118.68 111.02 1ot3 s LEU 149 Ca -0.23 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1ot3 s LEU 149 Cb 0.05 -0.44 0.04 0.00 0.50 0.00 0.00 46.19 46.33 1ot3 s LEU 149 CO 0.40 0.10 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.81 1ot3 s ILE 150 N -0.14 1.48 -0.35 6.68 1.01 -0.71 -1.89 121.20 127.27 1ot3 s ILE 150 Ca 0.02 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1ot3 s ILE 150 Cb -0.04 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1ot3 s ILE 150 CO -0.00 0.18 0.62 -0.63 0.00 0.00 0.00 174.94 175.10 1ot3 s ILE 151 N 1.47 4.91 -0.43 2.92 1.01 -0.73 -0.43 121.20 129.93 1ot3 s ILE 151 Ca -0.00 0.56 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 1ot3 s ILE 151 Cb -0.16 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1ot3 s ILE 151 CO -0.08 -0.29 0.40 -0.47 0.00 0.00 0.00 174.94 174.49 1ot3 s TYR 152 N 2.66 3.20 -1.31 3.97 5.04 -1.01 -1.59 117.35 128.30 1ot3 s TYR 152 Ca 0.24 -0.55 -0.14 0.00 -2.44 0.00 0.00 57.07 54.18 1ot3 s TYR 152 Cb -0.15 -2.87 0.11 0.00 0.35 0.00 0.00 41.96 39.40 1ot3 s TYR 152 CO 0.14 -0.70 1.83 1.28 -1.34 0.00 0.00 175.55 176.76 1ot3 n LEU 153 N 5.42 5.94 -4.68 6.97 4.77 -0.74 -0.46 117.00 134.22 1ot3 n LEU 153 Ca -0.09 -4.29 -0.42 0.00 -0.03 0.00 0.00 56.01 51.17 1ot3 n LEU 153 Cb 0.47 -1.63 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 1ot3 n LEU 153 CO 0.45 0.85 1.34 -0.60 -1.33 0.00 0.00 177.39 178.10 1ot3 s ARG 154 N 2.33 4.20 0.36 3.23 3.52 -1.09 -4.56 118.95 126.95 1ot3 s ARG 154 Ca 0.46 2.29 0.05 0.00 -0.13 0.00 0.00 55.73 58.39 1ot3 s ARG 154 Cb 0.06 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1ot3 s ARG 154 CO -0.00 -0.76 0.18 0.95 -0.81 0.00 0.00 175.30 174.86 1ot3 s THR 155 N 3.03 0.36 -0.08 4.11 -4.23 -1.26 -2.99 115.64 114.57 1ot3 s THR 155 Ca 0.74 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 1ot3 s THR 155 Cb -0.38 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1ot3 s THR 155 CO 0.32 0.00 0.26 -0.55 -0.54 0.00 0.00 174.62 174.10 1ot3 s SER 156 N -3.49 6.55 0.33 3.99 0.15 -1.26 -4.96 113.70 115.01 1ot3 s SER 156 Ca 0.31 0.65 0.11 0.00 0.70 0.00 0.00 55.95 57.72 1ot3 s SER 156 Cb 0.03 -2.15 0.90 0.00 -1.71 0.00 0.00 66.02 63.09 1ot3 s SER 156 CO 0.19 0.34 1.75 -0.65 1.20 0.00 0.00 173.24 176.07 1ot3 h PRO 157 N 5.08 0.57 -0.08 5.44 0.11 -1.98 0.37 132.00 141.50 1ot3 h PRO 157 Ca -0.52 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1ot3 h PRO 157 Cb 1.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ot3 h PRO 157 CO 0.61 0.37 0.00 0.93 -0.21 0.00 0.00 178.00 179.71 1ot3 h GLU 158 N 0.58 0.14 -0.40 1.05 5.08 -1.95 0.08 114.58 119.16 1ot3 h GLU 158 Ca 0.62 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1ot3 h GLU 158 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1ot3 h GLU 158 CO -0.42 0.40 0.24 0.28 -1.00 0.00 0.00 179.01 178.51 1ot3 h VAL 159 N -0.13 1.13 -0.82 3.13 2.07 -1.50 -0.31 116.25 119.83 1ot3 h VAL 159 Ca 0.02 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1ot3 h VAL 159 Cb 0.33 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1ot3 h VAL 159 CO 0.00 0.14 0.46 0.00 0.02 0.00 0.00 177.57 178.19 1ot3 h ALA 160 N 1.10 1.05 -0.74 1.67 0.00 -0.31 -0.26 119.26 121.78 1ot3 h ALA 160 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ot3 h ALA 160 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1ot3 h ALA 160 CO -0.03 0.55 0.31 -0.92 0.00 0.00 0.00 179.25 179.16 1ot3 h TYR 161 N 1.14 1.11 -0.31 0.00 3.20 -0.51 -2.44 116.97 119.16 1ot3 h TYR 161 Ca 0.29 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 1ot3 h TYR 161 Cb 0.01 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 1ot3 h TYR 161 CO 0.00 0.85 -0.30 1.49 -1.64 0.00 0.00 178.16 178.56 1ot3 h GLU 162 N 1.06 0.65 0.00 1.82 4.22 -0.48 -2.80 114.58 119.05 1ot3 h GLU 162 Ca 0.25 -0.28 -0.06 0.00 0.08 0.00 0.00 59.36 59.34 1ot3 h GLU 162 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ot3 h GLU 162 CO -0.02 0.87 -0.30 -0.09 -2.18 0.00 0.00 179.01 177.29 1ot3 h ARG 163 N 0.56 0.00 0.00 1.92 2.43 -0.75 -1.98 114.38 116.56 1ot3 h ARG 163 Ca 0.07 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1ot3 h ARG 163 Cb 0.79 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1ot3 h ARG 163 CO 0.06 0.30 -0.31 0.82 -1.51 0.00 0.00 179.97 179.33 1ot3 h ILE 164 N 0.00 0.57 0.00 1.20 2.04 -1.20 -3.08 117.51 117.04 1ot3 h ILE 164 Ca -0.00 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 64.10 1ot3 h ILE 164 Cb 0.59 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1ot3 h ILE 164 CO 0.04 0.30 -0.73 0.03 0.00 0.00 0.00 178.15 177.79 1ot3 h ARG 165 N 0.00 0.00 0.04 2.37 -0.00 -1.15 -3.32 114.38 112.33 1ot3 h ARG 165 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 59.24 1ot3 h ARG 165 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.11 1ot3 h ARG 165 CO 0.04 0.39 -1.04 1.96 0.00 0.00 0.00 179.97 181.33 1ot3 h GLN 166 N 0.00 0.37 -7.09 0.04 1.08 -1.35 -3.46 115.11 104.70 1ot3 h GLN 166 Ca -0.04 -0.45 -0.49 0.00 -1.45 0.00 0.00 58.65 56.22 1ot3 h GLN 166 Cb 1.39 0.14 0.05 0.00 -0.05 0.00 0.00 27.48 29.02 1ot3 h GLN 166 CO 0.05 1.14 0.19 1.03 -0.95 0.00 0.00 178.83 180.30 1ot3 s ARG 167 N -3.07 3.21 -0.33 1.46 0.52 -1.17 -5.07 118.95 114.50 1ot3 s ARG 167 Ca -0.05 0.17 -0.04 0.00 -0.52 0.00 0.00 55.73 55.29 1ot3 s ARG 167 Cb 0.08 -2.28 0.05 0.00 0.52 0.00 0.00 34.95 33.33 1ot3 s ARG 167 CO 0.87 -0.53 0.06 0.00 0.02 0.00 0.00 175.30 175.73 1ot3 s ALA 168 N -2.94 2.94 0.00 2.13 0.00 -1.26 -4.94 121.76 117.69 1ot3 s ALA 168 Ca 0.52 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1ot3 s ALA 168 Cb -0.11 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1ot3 s ALA 168 CO 0.46 -1.36 0.00 0.54 0.00 0.00 0.00 175.76 175.40 1ot3 n ARG 169 N 4.70 2.47 0.00 0.00 5.12 -1.26 -5.11 116.66 122.58 1ot3 n ARG 169 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1ot3 n ARG 169 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 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 0.07 0.55 2.88 -1.26 -4.87 113.62 110.98 1ot3 n SER 170 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1ot3 n SER 170 Cb 0.00 0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.24 0.00 -1.46 3.07 -1.99 -3.38 114.58 110.59 1ot3 h GLU 171 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1ot3 h GLU 171 Cb 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1ot3 h GLU 171 CO 0.00 -0.16 -0.49 -0.85 -1.40 0.00 0.00 179.01 176.11 1ot3 n GLU 172 N -4.34 0.24 -0.55 2.33 0.28 -1.26 -4.42 120.64 112.91 1ot3 n GLU 172 Ca -0.03 0.09 -0.06 0.00 -0.16 0.00 0.00 57.16 57.00 1ot3 n GLU 172 Cb 0.10 -1.67 -0.08 0.00 1.43 0.00 0.00 31.44 31.22 1ot3 n GLU 172 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ot3 n SER 173 N -2.02 3.23 -0.38 -1.84 3.41 -1.26 -2.30 113.62 112.46 1ot3 n SER 173 Ca 0.04 -2.05 -0.01 0.00 -0.26 0.00 0.00 58.87 56.59 1ot3 n SER 173 Cb 0.42 -0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 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 4.88 0.48 0.00 -7.23 -0.97 -5.03 120.40 112.53 1ot3 s VAL 175 Ca 0.00 1.80 -0.24 0.00 -1.81 0.00 0.00 61.98 61.73 1ot3 s VAL 175 Cb 0.00 -4.21 -0.07 0.00 0.56 0.00 0.00 36.38 32.66 1ot3 s VAL 175 CO 0.00 0.09 1.34 -2.84 -0.31 0.00 0.00 175.10 173.38 1ot3 s PRO 176 N 1.65 3.54 0.37 4.82 0.02 -1.26 -4.89 135.00 139.24 1ot3 s PRO 176 Ca 0.44 2.21 0.11 0.00 0.02 0.00 0.00 61.00 63.78 1ot3 s PRO 176 Cb -0.18 -2.49 0.89 0.00 0.02 0.00 0.00 34.50 32.74 1ot3 s PRO 176 CO 0.18 -0.87 1.85 1.25 -0.33 0.00 0.00 177.00 179.08 1ot3 h LEU 177 N 2.02 0.60 -0.79 -5.54 5.85 -1.96 0.15 115.31 115.65 1ot3 h LEU 177 Ca -0.50 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1ot3 h LEU 177 Cb 1.27 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1ot3 h LEU 177 CO 0.60 0.27 0.49 0.50 -0.34 0.00 0.00 178.44 179.96 1ot3 h LYS 178 N 0.62 0.89 -0.31 1.25 3.64 -1.99 -1.45 116.57 119.22 1ot3 h LYS 178 Ca 0.48 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 1ot3 h LYS 178 Cb 0.89 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ot3 h LYS 178 CO -0.23 0.59 0.15 -0.92 -2.27 0.00 0.00 179.45 176.77 1ot3 h TYR 179 N 0.92 0.45 -0.23 1.91 3.20 -1.33 -2.54 116.97 119.35 1ot3 h TYR 179 Ca 0.33 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1ot3 h TYR 179 Cb 0.10 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1ot3 h TYR 179 CO -0.04 0.40 0.02 -0.07 -1.64 0.00 0.00 178.16 176.83 1ot3 h LEU 180 N 0.37 0.31 -0.56 2.82 3.38 -1.14 -2.43 115.31 118.05 1ot3 h LEU 180 Ca 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ot3 h LEU 180 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ot3 h LEU 180 CO -0.01 0.35 0.18 1.56 0.09 0.00 0.00 178.44 180.61 1ot3 h GLN 181 N 0.33 0.87 -0.49 1.13 4.20 -0.86 -0.09 115.11 120.20 1ot3 h GLN 181 Ca 0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1ot3 h GLN 181 Cb 0.20 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1ot3 h GLN 181 CO 0.00 0.78 0.19 0.93 -0.67 0.00 0.00 178.83 180.06 1ot3 h GLU 182 N 0.78 0.74 -0.63 1.46 5.08 -1.20 -0.56 114.58 120.25 1ot3 h GLU 182 Ca 0.18 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1ot3 h GLU 182 Cb 0.27 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1ot3 h GLU 182 CO -0.01 0.67 0.10 -0.07 -1.00 0.00 0.00 179.01 178.70 1ot3 h LEU 183 N 0.65 1.01 -0.10 1.33 3.38 -1.29 -1.98 115.31 118.31 1ot3 h LEU 183 Ca 0.16 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ot3 h LEU 183 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ot3 h LEU 183 CO -0.01 1.01 -0.02 -0.74 0.09 0.00 0.00 178.44 178.77 1ot3 h HIS 184 N 0.97 -0.04 -0.64 1.13 2.76 -0.60 -1.33 115.15 117.39 1ot3 h HIS 184 Ca 0.19 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 1ot3 h HIS 184 Cb 0.43 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 1ot3 h HIS 184 CO 0.03 -0.04 0.41 0.93 -1.30 0.00 0.00 177.93 177.96 1ot3 h GLU 185 N 0.01 0.79 -0.39 5.26 4.39 -0.94 -1.39 114.58 122.31 1ot3 h GLU 185 Ca 0.05 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ot3 h GLU 185 Cb 0.07 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ot3 h GLU 185 CO -0.10 0.52 0.10 -0.07 -1.16 0.00 0.00 179.01 178.30 1ot3 h LEU 186 N 0.81 0.53 -0.54 1.33 3.38 -1.06 0.07 115.31 119.83 1ot3 h LEU 186 Ca 0.25 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 1ot3 h LEU 186 Cb -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ot3 h LEU 186 CO -0.09 0.53 -0.63 0.45 0.09 0.00 0.00 178.44 178.80 1ot3 h HIS 187 N 0.57 0.49 -0.45 1.13 3.86 -0.67 -2.97 115.15 117.10 1ot3 h HIS 187 Ca 0.13 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 59.02 1ot3 h HIS 187 Cb 0.21 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1ot3 h HIS 187 CO 0.01 0.90 -0.21 0.93 0.86 0.00 0.00 177.93 180.41 1ot3 h GLU 188 N 0.28 0.94 0.00 2.45 4.39 -0.38 0.11 114.58 122.36 1ot3 h GLU 188 Ca -0.01 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1ot3 h GLU 188 Cb 1.16 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ot3 h GLU 188 CO 0.11 1.07 0.00 -0.25 -1.16 0.00 0.00 179.01 178.78 1ot3 n ASP 189 N -4.16 0.00 -0.07 1.42 8.00 -0.07 -0.55 116.55 121.11 1ot3 n ASP 189 Ca -0.01 0.43 -0.12 0.00 0.71 0.00 0.00 54.79 55.81 1ot3 n ASP 189 Cb 0.45 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 1ot3 n ASP 189 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1ot3 n TRP 190 N -1.47 0.00 1.01 1.24 -0.00 -1.05 -1.07 117.44 116.11 1ot3 n TRP 190 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.66 1ot3 n TRP 190 Cb 0.19 -0.53 0.05 0.00 -0.00 0.00 0.00 31.31 31.02 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 -3.19 0.91 0.00 5.87 4.77 0.34 -3.60 117.00 122.10 1ot3 n LEU 191 Ca -0.26 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1ot3 n LEU 191 Cb 0.74 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1ot3 n LEU 191 CO 0.09 0.21 -0.44 -0.38 -1.33 0.00 0.00 177.39 175.55 1ot3 n ILE 192 N -1.33 0.00 -0.06 -0.08 2.08 -0.44 -4.84 119.36 114.70 1ot3 n ILE 192 Ca 0.05 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.31 1ot3 n ILE 192 Cb 0.34 -0.96 -0.15 0.00 -0.75 0.00 0.00 39.64 38.13 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 -2.68 0.28 -3.35 1.39 8.25 0.28 -5.02 115.22 114.37 1ot3 n HIS 193 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1ot3 n HIS 193 Cb 0.44 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1ot3 n HIS 193 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ot3 n GLN 194 N -2.74 0.00 0.00 -0.41 6.02 -0.23 -4.93 117.38 115.09 1ot3 n GLN 194 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 1ot3 n GLN 194 Cb 1.02 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.28 1ot3 n GLN 194 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ot3 s LYS 201 N 0.00 1.27 -0.16 0.00 -0.14 -1.25 -5.08 119.74 114.38 1ot3 s LYS 201 Ca 0.00 -1.50 -0.01 0.00 -1.36 0.00 0.00 55.97 53.11 1ot3 s LYS 201 Cb 0.00 -1.13 0.04 0.00 -1.68 0.00 0.00 37.83 35.06 1ot3 s LYS 201 CO 0.00 0.20 -0.04 0.08 -0.76 0.00 0.00 175.35 174.83 1ot3 s VAL 202 N -2.65 0.98 -0.91 3.17 1.01 -1.26 -1.74 120.40 118.99 1ot3 s VAL 202 Ca 0.19 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 1ot3 s VAL 202 Cb -0.02 -1.19 0.17 0.00 0.00 0.00 0.00 36.38 35.33 1ot3 s VAL 202 CO 0.06 0.10 1.02 -0.22 0.00 0.00 0.00 175.10 176.07 1ot3 s LEU 203 N 1.69 5.66 -0.12 3.92 2.96 0.43 -4.91 118.68 128.31 1ot3 s LEU 203 Ca 0.01 -2.35 -0.29 0.00 -0.22 0.00 0.00 54.13 51.28 1ot3 s LEU 203 Cb -0.15 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1ot3 s LEU 203 CO -0.07 -0.86 1.71 -0.69 -1.32 0.00 0.00 176.35 175.11 1ot3 s VAL 204 N 1.68 3.53 0.09 1.68 1.01 -1.26 -2.40 120.40 124.74 1ot3 s VAL 204 Ca 0.28 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.92 1ot3 s VAL 204 Cb -0.07 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1ot3 s VAL 204 CO -0.09 -0.14 0.07 -0.76 0.00 0.00 0.00 175.10 174.18 1ot3 s LEU 205 N 4.85 3.75 -0.95 3.92 1.02 0.39 -4.93 118.68 126.72 1ot3 s LEU 205 Ca 0.76 -0.05 -0.19 0.00 0.02 0.00 0.00 54.13 54.67 1ot3 s LEU 205 Cb -0.31 -2.43 0.13 0.00 0.02 0.00 0.00 46.19 43.60 1ot3 s LEU 205 CO 0.31 0.16 1.16 -0.62 0.02 0.00 0.00 176.35 177.38 1ot3 s ASP 206 N -2.47 6.64 -0.32 2.29 3.68 -1.26 -2.66 116.67 122.57 1ot3 s ASP 206 Ca 0.29 -2.05 0.02 0.00 2.13 0.00 0.00 52.55 52.93 1ot3 s ASP 206 Cb -0.12 -2.41 0.40 0.00 -1.45 0.00 0.00 42.92 39.34 1ot3 s ASP 206 CO 0.22 -1.08 1.69 0.00 0.13 0.00 0.00 175.17 176.13 1ot3 n ALA 207 N 6.65 4.74 1.44 3.66 0.00 -1.16 -5.02 120.51 130.82 1ot3 n ALA 207 Ca 0.25 -1.96 0.14 0.00 0.00 0.00 0.00 53.44 51.87 1ot3 n ALA 207 Cb 0.49 -1.34 0.47 0.00 0.00 0.00 0.00 19.45 19.07 1ot3 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25