#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 0.29 0.10 -0.78 1.02 -1.26 -4.99 119.74 114.12 1ot3 s LYS 13 Ca 0.00 -0.10 -0.32 0.00 0.02 0.00 0.00 55.97 55.57 1ot3 s LYS 13 Cb 0.00 -0.30 -0.11 0.00 -0.52 0.00 0.00 37.83 36.90 1ot3 s LYS 13 CO 0.00 0.05 1.82 0.98 -0.92 0.00 0.00 175.35 177.28 1ot3 n TYR 14 N 3.12 2.55 -1.07 3.18 9.36 -1.26 -1.48 117.16 131.56 1ot3 n TYR 14 Ca -0.14 -0.09 -0.02 0.00 3.32 0.00 0.00 57.90 60.97 1ot3 n TYR 14 Cb 0.58 -2.70 -0.01 0.00 -0.63 0.00 0.00 39.34 36.58 1ot3 n TYR 14 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ot3 n ALA 15 N 5.51 -0.03 -2.27 2.98 0.00 -1.26 -3.21 120.51 122.23 1ot3 n ALA 15 Ca 0.18 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1ot3 n ALA 15 Cb 0.35 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.38 3.03 0.00 0.00 2.12 -0.55 -2.30 118.70 119.62 1ot3 s GLU 16 Ca 0.00 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.76 1ot3 s GLU 16 Cb 0.00 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.15 1ot3 s GLU 16 CO 0.00 -2.28 0.00 0.41 -0.54 0.00 0.00 175.26 172.85 1ot3 n GLY 17 N 5.46 0.90 0.58 -1.50 0.00 -1.26 -4.93 105.19 104.44 1ot3 n GLY 17 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.56 0.36 -4.34 2.61 -2.24 -0.97 -4.95 114.28 103.19 1ot3 n THR 18 Ca 0.00 -0.68 -0.34 0.00 -2.27 0.00 0.00 64.05 60.76 1ot3 n THR 18 Cb 0.00 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.03 3.31 0.00 -0.78 -1.52 -1.25 -4.54 119.66 113.85 1ot3 s GLN 19 Ca 0.19 -0.69 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 1ot3 s GLN 19 Cb 0.12 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 1ot3 s GLN 19 CO 0.16 -0.02 0.00 -0.35 -0.25 0.00 0.00 175.29 174.84 1ot3 n PRO 20 N 4.20 1.14 -2.06 2.91 -0.04 -1.26 -4.96 135.00 134.93 1ot3 n PRO 20 Ca -0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 1ot3 n PRO 20 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 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 3.13 -0.04 0.54 5.36 -0.88 -4.88 117.98 121.21 1ot3 s PHE 21 Ca 0.00 0.90 0.03 0.00 -0.96 0.00 0.00 56.93 56.91 1ot3 s PHE 21 Cb 0.00 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1ot3 s PHE 21 CO 0.00 -2.71 -0.14 0.99 -1.46 0.00 0.00 175.22 171.89 1ot3 s THR 22 N 0.70 1.24 -0.06 0.12 2.01 -1.26 -0.55 115.64 117.84 1ot3 s THR 22 Ca 0.64 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1ot3 s THR 22 Cb -0.40 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1ot3 s THR 22 CO 0.35 0.37 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.81 1ot3 s VAL 23 N 0.20 3.07 -0.15 3.82 1.01 0.63 -2.20 120.40 126.79 1ot3 s VAL 23 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1ot3 s VAL 23 Cb -0.12 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1ot3 s VAL 23 CO 0.02 0.58 -0.14 -0.76 0.00 0.00 0.00 175.10 174.80 1ot3 s LEU 24 N -0.59 2.57 -0.52 3.92 1.43 -0.60 -1.36 118.68 123.53 1ot3 s LEU 24 Ca 0.08 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.59 1ot3 s LEU 24 Cb -0.11 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.60 1ot3 s LEU 24 CO 0.01 0.11 0.58 -0.63 0.23 0.00 0.00 176.35 176.65 1ot3 s ILE 25 N 0.67 4.99 0.30 -0.59 -1.09 -0.41 -0.62 121.20 124.44 1ot3 s ILE 25 Ca -0.07 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1ot3 s ILE 25 Cb -0.16 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1ot3 s ILE 25 CO 0.02 -0.84 0.36 -1.61 -1.23 0.00 0.00 174.94 171.64 1ot3 s GLU 26 N 2.29 3.09 0.00 2.79 0.41 -0.51 -1.17 118.70 125.59 1ot3 s GLU 26 Ca 0.10 -1.01 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 1ot3 s GLU 26 Cb -0.23 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 1ot3 s GLU 26 CO 0.08 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 1ot3 n GLY 27 N -1.45 3.70 3.64 -1.39 0.00 -1.26 -1.58 105.19 106.85 1ot3 n GLY 27 Ca -0.04 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 1.99 -0.12 1.61 2.47 -1.26 -4.89 114.94 114.74 1ot3 s ASN 28 Ca 0.00 1.01 -0.29 0.00 0.42 0.00 0.00 52.86 53.99 1ot3 s ASN 28 Cb 0.00 -1.55 -0.05 0.00 -1.45 0.00 0.00 41.25 38.21 1ot3 s ASN 28 CO 0.00 -3.50 1.68 -0.63 -3.72 0.00 0.00 177.10 170.92 1ot3 s ILE 29 N -2.97 3.58 0.00 -5.21 1.01 -1.26 -2.32 121.20 114.04 1ot3 s ILE 29 Ca 0.67 0.68 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1ot3 s ILE 29 Cb -0.16 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1ot3 s ILE 29 CO 0.57 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1ot3 n GLY 30 N 4.40 0.90 0.65 6.18 0.00 -1.26 -4.63 105.19 111.44 1ot3 n GLY 30 Ca 0.18 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.29 1.99 -0.32 1.61 3.41 -0.98 -4.29 113.62 115.35 1ot3 n SER 31 Ca 0.00 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1ot3 n SER 31 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.22 0.85 0.18 5.00 0.00 -1.26 -4.77 105.19 106.41 1ot3 n GLY 32 Ca 0.17 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 0.56 0.44 1.61 1.57 -1.92 -2.34 116.57 116.49 1ot3 h LYS 33 Ca 0.00 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1ot3 h LYS 33 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1ot3 h LYS 33 CO 0.00 0.93 -0.21 1.15 -0.57 0.00 0.00 179.45 180.75 1ot3 h THR 34 N 0.23 0.57 0.20 -0.16 2.02 -1.99 -1.32 112.91 112.47 1ot3 h THR 34 Ca 0.02 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ot3 h THR 34 Cb 0.87 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1ot3 h THR 34 CO 0.07 0.01 -0.41 0.74 0.37 0.00 0.00 175.52 176.30 1ot3 h THR 35 N -0.61 0.18 -0.57 3.16 2.02 -1.99 -0.21 112.91 114.89 1ot3 h THR 35 Ca -0.06 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.24 1ot3 h THR 35 Cb 0.47 0.18 -0.10 0.00 -1.74 0.00 0.00 68.15 66.95 1ot3 h THR 35 CO 0.10 0.00 -0.07 0.22 0.37 0.00 0.00 175.52 176.14 1ot3 h TYR 36 N -0.69 -0.17 -0.03 3.16 3.20 -1.40 -0.11 116.97 120.93 1ot3 h TYR 36 Ca 0.01 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1ot3 h TYR 36 Cb 0.69 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1ot3 h TYR 36 CO -0.32 -0.20 -0.27 1.25 -1.64 0.00 0.00 178.16 176.98 1ot3 h LEU 37 N 0.06 0.06 0.00 2.82 5.85 -0.83 -2.59 115.31 120.68 1ot3 h LEU 37 Ca 0.29 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1ot3 h LEU 37 Cb 0.45 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1ot3 h LEU 37 CO -0.54 0.34 0.00 0.59 -0.34 0.00 0.00 178.44 178.49 1ot3 n ASN 38 N -4.19 0.00 0.03 1.25 3.02 -0.06 -1.83 115.26 113.48 1ot3 n ASN 38 Ca -0.02 0.31 -0.14 0.00 -0.03 0.00 0.00 54.58 54.71 1ot3 n ASN 38 Cb 0.34 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 39.02 1ot3 n ASN 38 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1ot3 h HIS 39 N 0.00 0.26 0.00 3.10 3.86 -1.48 -3.27 115.15 117.62 1ot3 h HIS 39 Ca 0.00 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1ot3 h HIS 39 Cb 0.04 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1ot3 h HIS 39 CO 0.00 1.28 0.00 1.19 0.86 0.00 0.00 177.93 181.26 1ot3 n PHE 40 N -3.32 0.00 -0.11 2.45 3.01 -0.76 -3.22 117.46 115.51 1ot3 n PHE 40 Ca -0.17 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.16 1ot3 n PHE 40 Cb 1.03 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.47 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 0.00 0.83 -1.11 -1.08 4.57 -1.66 -3.03 114.58 113.11 1ot3 h GLU 41 Ca 0.00 -0.44 0.32 0.00 -1.18 0.00 0.00 59.36 58.06 1ot3 h GLU 41 Cb 0.00 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 1ot3 h GLU 41 CO 0.00 1.08 0.80 0.87 -1.18 0.00 0.00 179.01 180.58 1ot3 h LYS 42 N 0.62 0.00 -1.30 1.92 1.57 -1.80 0.12 116.57 117.70 1ot3 h LYS 42 Ca 0.05 -0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.16 1ot3 h LYS 42 Cb 0.93 -0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.91 1ot3 h LYS 42 CO 0.09 0.00 0.39 0.66 -0.57 0.00 0.00 179.45 180.02 1ot3 n TYR 43 N -4.20 3.10 0.15 -1.35 4.02 -1.14 -4.76 117.16 112.97 1ot3 n TYR 43 Ca 0.24 -2.69 -0.13 0.00 -0.01 0.00 0.00 57.90 55.30 1ot3 n TYR 43 Cb 1.17 -0.99 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 1ot3 n TYR 43 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1ot3 h LYS 44 N 2.39 -0.44 -0.73 -0.72 3.64 -0.88 0.39 116.57 120.23 1ot3 h LYS 44 Ca 0.51 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1ot3 h LYS 44 Cb 0.75 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1ot3 h LYS 44 CO 1.29 -0.29 0.00 0.09 -2.27 0.00 0.00 179.45 178.27 1ot3 n ASN 45 N -5.34 0.72 0.00 4.20 5.03 -1.26 -2.63 115.26 115.98 1ot3 n ASN 45 Ca -0.08 -0.97 0.00 0.00 0.87 0.00 0.00 54.58 54.40 1ot3 n ASN 45 Cb 0.25 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1ot3 n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1ot3 n ASP 46 N 0.37 0.29 -4.48 6.41 10.43 -0.74 -5.11 116.55 123.72 1ot3 n ASP 46 Ca 0.00 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.09 1ot3 n ASP 46 Cb 0.15 0.01 -0.11 0.00 1.84 0.00 0.00 41.12 43.02 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 -1.07 2.66 -0.82 0.53 1.01 0.05 -4.50 121.20 119.07 1ot3 s ILE 47 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 60.65 58.59 1ot3 s ILE 47 Cb 0.00 -2.30 0.22 0.00 0.01 0.00 0.00 42.46 40.38 1ot3 s ILE 47 CO 0.00 -0.14 0.74 0.00 0.00 0.00 0.00 174.94 175.54 1ot3 s LEU 49 N 0.02 4.32 -0.45 0.00 2.01 -1.26 -0.71 118.68 122.62 1ot3 s LEU 49 Ca 0.19 1.44 0.03 0.00 0.01 0.00 0.00 54.13 55.80 1ot3 s LEU 49 Cb -0.11 -3.37 0.13 0.00 0.01 0.00 0.00 46.19 42.84 1ot3 s LEU 49 CO -0.08 -0.24 0.21 -0.76 1.01 0.00 0.00 176.35 176.49 1ot3 s LEU 50 N 1.13 3.60 0.67 1.79 1.43 0.21 -4.96 118.68 122.56 1ot3 s LEU 50 Ca 0.45 -2.64 -0.17 0.00 -1.03 0.00 0.00 54.13 50.75 1ot3 s LEU 50 Cb -0.19 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.68 1ot3 s LEU 50 CO 0.22 -0.28 1.25 0.42 0.23 0.00 0.00 176.35 178.20 1ot3 s THR 51 N 0.27 2.18 0.28 5.49 -4.23 -1.26 -1.45 115.64 116.92 1ot3 s THR 51 Ca 0.16 0.10 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 1ot3 s THR 51 Cb -0.24 -2.90 -0.13 0.00 1.34 0.00 0.00 72.50 70.57 1ot3 s THR 51 CO -0.03 -0.03 1.32 1.21 -0.54 0.00 0.00 174.62 176.55 1ot3 n GLU 52 N -2.19 1.98 0.00 3.99 2.13 -1.26 -4.75 120.64 120.55 1ot3 n GLU 52 Ca 0.15 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1ot3 n GLU 52 Cb 0.49 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1ot3 n GLU 52 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1ot3 n PRO 53 N 1.35 0.01 -0.31 5.31 -0.02 -1.26 -4.30 135.00 135.79 1ot3 n PRO 53 Ca 0.09 0.00 0.22 0.00 -2.02 0.00 0.00 63.50 61.79 1ot3 n PRO 53 Cb 0.33 -1.39 0.51 0.00 -0.02 0.00 0.00 33.50 32.93 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 0.78 0.55 -0.30 -1.45 2.07 -2.00 -0.73 116.25 115.17 1ot3 h VAL 54 Ca 0.00 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1ot3 h VAL 54 Cb 0.01 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1ot3 h VAL 54 CO 0.00 0.07 -0.25 -0.33 0.02 0.00 0.00 177.57 177.08 1ot3 h GLU 55 N 0.39 0.59 -0.26 1.57 4.39 -1.97 -2.40 114.58 116.90 1ot3 h GLU 55 Ca 0.57 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.90 1ot3 h GLU 55 Cb 1.46 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1ot3 h GLU 55 CO -0.27 0.79 -0.42 0.87 -1.16 0.00 0.00 179.01 178.81 1ot3 h LYS 56 N 0.52 0.63 -0.04 2.33 1.57 -1.45 -2.95 116.57 117.18 1ot3 h LYS 56 Ca 0.07 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 1ot3 h LYS 56 Cb 0.70 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1ot3 h LYS 56 CO 0.05 0.94 -0.48 -1.49 -0.57 0.00 0.00 179.45 177.90 1ot3 h TRP 57 N 0.51 0.10 0.00 -1.35 6.55 -1.33 -2.83 115.95 117.62 1ot3 h TRP 57 Ca 0.04 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1ot3 h TRP 57 Cb 0.95 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 1ot3 h TRP 57 CO 0.04 0.56 0.00 0.00 -1.05 0.00 0.00 178.44 177.99 1ot3 h ARG 58 N 0.07 0.00 -1.91 0.49 3.08 -1.34 -1.50 114.38 113.27 1ot3 h ARG 58 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1ot3 h ARG 58 Cb 0.89 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.57 1ot3 h ARG 58 CO 0.07 0.00 -1.04 -1.71 -1.07 0.00 0.00 179.97 176.21 1ot3 n ASN 59 N -2.97 -0.17 -3.87 7.04 5.15 -1.10 -3.50 115.26 115.84 1ot3 n ASN 59 Ca 0.03 -2.69 -0.42 0.00 -0.60 0.00 0.00 54.58 50.90 1ot3 n ASN 59 Cb 0.45 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1ot3 n ASN 59 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1ot3 n VAL 60 N 1.65 3.64 -3.20 3.44 0.31 0.30 -4.23 118.33 120.25 1ot3 n VAL 60 Ca 0.22 -3.36 -0.15 0.00 -0.01 0.00 0.00 64.34 61.03 1ot3 n VAL 60 Cb 0.53 -2.54 0.07 0.00 -0.91 0.00 0.00 33.84 30.98 1ot3 n VAL 60 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ot3 n ASN 61 N 6.11 -3.30 0.00 4.52 4.05 -1.26 -3.20 115.26 122.17 1ot3 n ASN 61 Ca 0.50 -0.46 0.00 0.00 0.45 0.00 0.00 54.58 55.07 1ot3 n ASN 61 Cb 0.40 -4.07 0.00 0.00 1.23 0.00 0.00 39.78 37.34 1ot3 n ASN 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ot3 n GLY 62 N -1.32 2.64 3.74 8.20 0.00 -1.26 -5.06 105.19 112.12 1ot3 n GLY 62 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.55 5.15 -1.05 1.61 1.01 -1.19 -4.97 120.40 118.40 1ot3 s VAL 63 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 1ot3 s VAL 63 Cb 0.00 -3.29 0.21 0.00 0.00 0.00 0.00 36.38 33.29 1ot3 s VAL 63 CO 0.00 0.51 1.14 0.21 0.00 0.00 0.00 175.10 176.96 1ot3 s ASN 64 N -0.13 7.01 0.14 3.32 3.84 -1.23 0.11 114.94 128.01 1ot3 s ASN 64 Ca 0.09 -2.95 -0.19 0.00 0.21 0.00 0.00 52.86 50.01 1ot3 s ASN 64 Cb -0.12 -2.30 0.02 0.00 -0.55 0.00 0.00 41.25 38.30 1ot3 s ASN 64 CO 0.01 -0.62 1.68 -0.07 -2.79 0.00 0.00 177.10 175.30 1ot3 h LEU 65 N 8.49 -0.34 -0.84 3.21 3.38 -1.51 -1.91 115.31 125.80 1ot3 h LEU 65 Ca 0.20 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.44 1ot3 h LEU 65 Cb 0.93 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 1ot3 h LEU 65 CO 1.05 -0.13 0.36 0.25 0.09 0.00 0.00 178.44 180.06 1ot3 h LEU 66 N -0.05 0.34 -0.59 1.67 5.85 -1.88 0.23 115.31 120.88 1ot3 h LEU 66 Ca 0.13 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 1ot3 h LEU 66 Cb 0.25 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1ot3 h LEU 66 CO -0.29 0.08 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.42 1ot3 h GLU 67 N 0.46 0.69 -0.52 1.25 4.81 -1.72 -2.86 114.58 116.69 1ot3 h GLU 67 Ca 0.49 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1ot3 h GLU 67 Cb 0.81 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1ot3 h GLU 67 CO -0.45 0.96 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.64 1ot3 h LEU 68 N 0.57 0.97 0.37 1.64 3.38 -0.17 -2.28 115.31 119.79 1ot3 h LEU 68 Ca 0.05 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1ot3 h LEU 68 Cb 0.92 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ot3 h LEU 68 CO 0.08 1.08 -0.21 -0.03 0.09 0.00 0.00 178.44 179.46 1ot3 h MET 69 N 0.84 -0.52 0.00 1.13 4.05 -0.59 -0.18 114.93 119.65 1ot3 h MET 69 Ca 0.14 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 1ot3 h MET 69 Cb 0.63 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1ot3 h MET 69 CO 0.04 -0.35 -0.05 1.88 0.23 0.00 0.00 176.91 178.67 1ot3 h TYR 70 N -0.54 0.00 0.01 1.39 0.99 -1.49 0.13 116.97 117.46 1ot3 h TYR 70 Ca -0.04 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.46 1ot3 h TYR 70 Cb 0.43 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.13 1ot3 h TYR 70 CO -0.07 0.05 -1.14 0.87 -0.00 0.00 0.00 178.16 177.86 1ot3 h LYS 71 N 0.00 0.03 -1.21 4.88 1.57 -1.08 -3.41 116.57 117.35 1ot3 h LYS 71 Ca -0.00 -0.04 -0.41 0.00 -1.87 0.00 0.00 60.65 58.32 1ot3 h LYS 71 Cb 0.10 0.02 -0.28 0.00 0.08 0.00 0.00 32.23 32.14 1ot3 h LYS 71 CO 0.01 0.94 -0.84 -3.47 -0.57 0.00 0.00 179.45 175.52 1ot3 n ASP 72 N -3.32 -1.21 -0.26 0.86 -0.08 -0.11 -5.03 116.55 107.41 1ot3 n ASP 72 Ca -0.04 -2.92 0.02 0.00 -1.51 0.00 0.00 54.79 50.34 1ot3 n ASP 72 Cb 0.97 0.43 0.10 0.00 2.34 0.00 0.00 41.12 44.95 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 4.14 0.01 0.00 -0.67 0.11 -0.96 0.14 132.00 134.76 1ot3 h PRO 73 Ca -0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ot3 h PRO 73 Cb 0.95 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1ot3 h PRO 73 CO 0.39 0.01 -0.00 0.87 -0.21 0.00 0.00 178.00 179.05 1ot3 h LYS 74 N 0.01 0.00 0.00 1.05 6.56 -1.86 -1.08 116.57 121.25 1ot3 h LYS 74 Ca 0.37 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.62 1ot3 h LYS 74 Cb 0.58 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.17 1ot3 h LYS 74 CO -0.75 0.00 -2.28 1.17 -2.06 0.00 0.00 179.45 175.53 1ot3 n LYS 75 N -3.14 0.89 -0.05 3.15 4.81 -0.06 -4.67 118.16 119.07 1ot3 n LYS 75 Ca -0.02 0.03 0.02 0.00 -0.87 0.00 0.00 58.31 57.47 1ot3 n LYS 75 Cb 0.11 -1.47 0.05 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.82 0.14 0.01 5.64 7.02 -0.60 -4.60 117.44 122.23 1ot3 n TRP 76 Ca -0.33 -0.36 -0.03 0.00 -1.02 0.00 0.00 57.50 55.77 1ot3 n TRP 76 Cb 1.06 -0.03 0.23 0.00 -2.42 0.00 0.00 31.31 30.14 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 0.90 1.17 0.57 6.99 0.00 -1.40 -1.45 119.26 126.04 1ot3 h ALA 77 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ot3 h ALA 77 Cb 0.49 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ot3 h ALA 77 CO 0.00 0.53 -0.28 1.98 0.00 0.00 0.00 179.25 181.48 1ot3 h MET 78 N 0.44 -0.74 -0.52 0.00 1.85 -1.82 -2.38 114.93 111.77 1ot3 h MET 78 Ca 0.07 0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1ot3 h MET 78 Cb 0.58 0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.75 1ot3 h MET 78 CO 0.04 -0.45 0.28 -1.00 -0.40 0.00 0.00 176.91 175.38 1ot3 h PRO 79 N -1.13 0.73 -0.04 0.39 0.13 -1.84 -1.53 132.00 128.70 1ot3 h PRO 79 Ca -0.08 -0.09 0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1ot3 h PRO 79 Cb 0.63 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1ot3 h PRO 79 CO 0.13 0.57 -0.08 0.35 -0.23 0.00 0.00 178.00 178.74 1ot3 h PHE 80 N 0.70 -0.20 -0.13 1.56 3.57 -1.37 -1.92 116.94 119.14 1ot3 h PHE 80 Ca 0.18 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1ot3 h PHE 80 Cb 0.06 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1ot3 h PHE 80 CO -0.01 -0.12 -0.22 1.96 -2.23 0.00 0.00 178.31 177.68 1ot3 h GLN 81 N -0.12 0.22 -0.33 1.11 1.08 -1.32 -1.72 115.11 114.04 1ot3 h GLN 81 Ca 0.05 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1ot3 h GLN 81 Cb 0.18 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1ot3 h GLN 81 CO -0.11 0.44 0.16 1.03 -0.95 0.00 0.00 178.83 179.40 1ot3 h SER 82 N 0.21 0.44 0.24 1.46 0.87 -0.85 -1.75 113.55 114.16 1ot3 h SER 82 Ca 0.04 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 1ot3 h SER 82 Cb 0.51 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1ot3 h SER 82 CO 0.03 0.44 -0.29 0.22 -0.53 0.00 0.00 176.83 176.71 1ot3 h TYR 83 N 0.40 0.10 -0.09 2.24 3.20 -0.96 -2.58 116.97 119.29 1ot3 h TYR 83 Ca 0.11 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1ot3 h TYR 83 Cb 0.12 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1ot3 h TYR 83 CO -0.02 0.38 0.03 0.28 -1.64 0.00 0.00 178.16 177.19 1ot3 h VAL 84 N 0.08 1.17 -0.52 1.81 2.07 -0.93 -0.64 116.25 119.29 1ot3 h VAL 84 Ca 0.01 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.12 1ot3 h VAL 84 Cb 0.56 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 1ot3 h VAL 84 CO 0.04 0.15 0.09 0.74 0.02 0.00 0.00 177.57 178.60 1ot3 h THR 85 N -0.05 0.68 -0.35 2.57 2.02 -1.01 -1.16 112.91 115.62 1ot3 h THR 85 Ca 0.03 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1ot3 h THR 85 Cb 0.21 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1ot3 h THR 85 CO -0.00 0.04 0.21 0.25 0.37 0.00 0.00 175.52 176.39 1ot3 h LEU 86 N 0.22 0.36 -1.75 2.58 5.85 -1.10 -0.68 115.31 120.78 1ot3 h LEU 86 Ca 0.27 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1ot3 h LEU 86 Cb 0.38 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ot3 h LEU 86 CO -0.37 0.26 -0.16 0.71 -0.34 0.00 0.00 178.44 178.54 1ot3 h THR 87 N 0.44 0.68 0.03 1.05 1.35 -0.57 -0.88 112.91 115.00 1ot3 h THR 87 Ca 0.13 -0.67 -0.22 0.00 -0.55 0.00 0.00 66.41 65.11 1ot3 h THR 87 Cb -0.02 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1ot3 h THR 87 CO -0.05 0.16 -0.98 0.24 -0.25 0.00 0.00 175.52 174.64 1ot3 h MET 88 N 0.00 0.21 -0.13 4.72 2.86 -0.47 -2.63 114.93 119.48 1ot3 h MET 88 Ca -0.00 -0.26 -0.17 0.00 -2.06 0.00 0.00 59.70 57.21 1ot3 h MET 88 Cb 0.40 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1ot3 h MET 88 CO 0.02 1.03 -0.63 -0.07 1.06 0.00 0.00 176.91 178.32 1ot3 h LEU 89 N 0.10 0.55 -0.49 1.22 3.38 -0.35 -0.06 115.31 119.66 1ot3 h LEU 89 Ca -0.06 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1ot3 h LEU 89 Cb 1.64 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1ot3 h LEU 89 CO 0.15 1.04 0.01 1.56 0.09 0.00 0.00 178.44 181.29 1ot3 h GLN 90 N 0.35 0.86 -0.08 1.13 4.20 -1.18 -1.95 115.11 118.44 1ot3 h GLN 90 Ca -0.01 -0.27 -0.20 0.00 0.06 0.00 0.00 58.65 58.23 1ot3 h GLN 90 Cb 1.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1ot3 h GLN 90 CO 0.11 0.89 -0.78 0.77 -0.67 0.00 0.00 178.83 179.15 1ot3 h SER 91 N 0.72 0.60 -0.25 1.46 0.02 -1.44 -0.63 113.55 114.04 1ot3 h SER 91 Ca 0.14 -0.41 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1ot3 h SER 91 Cb 0.49 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1ot3 h SER 91 CO 0.02 1.17 -0.10 0.45 -1.14 0.00 0.00 176.83 177.24 1ot3 h HIS 92 N 0.33 0.69 -0.01 3.45 3.86 -0.88 -3.18 115.15 119.40 1ot3 h HIS 92 Ca -0.04 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1ot3 h HIS 92 Cb 1.38 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1ot3 h HIS 92 CO 0.06 0.71 -0.48 0.25 0.86 0.00 0.00 177.93 179.33 1ot3 n THR 93 N -4.19 0.00 -1.61 2.45 -2.24 -0.74 -4.69 114.28 103.26 1ot3 n THR 93 Ca 0.01 -0.26 -0.44 0.00 -2.27 0.00 0.00 64.05 61.09 1ot3 n THR 93 Cb 0.33 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.25 0.07 -1.79 6.98 0.00 -0.24 -4.91 120.51 120.37 1ot3 n ALA 94 Ca 0.07 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 1ot3 n ALA 94 Cb 0.39 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.66 3.72 -0.28 0.00 0.04 -1.26 -4.93 135.00 130.62 1ot3 s PRO 95 Ca 0.58 1.44 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 1ot3 s PRO 95 Cb -0.66 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 31.87 1ot3 s PRO 95 CO 0.60 -0.51 0.94 -0.08 0.04 0.00 0.00 177.00 177.98 1ot3 s THR 96 N -1.89 0.00 -0.40 1.26 -1.32 -1.26 -5.04 115.64 106.99 1ot3 s THR 96 Ca 0.68 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.39 1ot3 s THR 96 Cb -0.19 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.78 1ot3 s THR 96 CO 0.22 0.00 1.09 0.59 -2.21 0.00 0.00 174.62 174.32 1ot3 n ASN 97 N 2.36 0.74 -4.47 8.08 3.02 -1.26 -4.86 115.26 118.87 1ot3 n ASN 97 Ca -0.13 0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.29 1ot3 n ASN 97 Cb 0.56 0.49 0.21 0.00 -0.61 0.00 0.00 39.78 40.43 1ot3 n ASN 97 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ot3 n LYS 98 N -2.39 -1.71 -0.07 3.52 4.76 -1.26 -4.96 118.16 116.05 1ot3 n LYS 98 Ca 0.01 -0.46 -0.06 0.00 -2.87 0.00 0.00 58.31 54.93 1ot3 n LYS 98 Cb 0.50 -2.09 -0.15 0.00 -1.84 0.00 0.00 35.03 31.45 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 -3.97 0.68 -5.03 1.97 4.76 -1.26 -4.77 118.16 110.53 1ot3 n LYS 99 Ca 0.05 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 1ot3 n LYS 99 Cb 0.55 -1.56 -0.17 0.00 -1.84 0.00 0.00 35.03 32.01 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 -5.42 1.96 0.00 -0.35 2.96 -1.26 -2.07 118.68 114.50 1ot3 s LEU 100 Ca -0.09 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1ot3 s LEU 100 Cb 0.08 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 1ot3 s LEU 100 CO 0.84 0.13 -0.25 -0.75 -1.32 0.00 0.00 176.35 175.00 1ot3 s LYS 101 N 0.38 2.03 -0.21 1.98 2.20 0.29 -0.76 119.74 125.65 1ot3 s LYS 101 Ca -0.16 -0.98 -0.01 0.00 -0.36 0.00 0.00 55.97 54.46 1ot3 s LYS 101 Cb -0.17 -2.05 0.06 0.00 -1.51 0.00 0.00 37.83 34.16 1ot3 s LYS 101 CO 0.07 0.55 -0.00 0.42 -0.36 0.00 0.00 175.35 176.02 1ot3 s ILE 102 N -0.70 0.93 -0.12 5.43 1.01 0.12 -0.27 121.20 127.61 1ot3 s ILE 102 Ca 0.11 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 1ot3 s ILE 102 Cb -0.10 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1ot3 s ILE 102 CO 0.00 -0.15 0.11 -0.04 0.00 0.00 0.00 174.94 174.86 1ot3 s MET 103 N 1.67 3.39 -0.24 2.79 -1.94 -0.47 -0.62 119.30 123.89 1ot3 s MET 103 Ca -0.03 -0.20 -0.23 0.00 -1.71 0.00 0.00 55.69 53.52 1ot3 s MET 103 Cb -0.18 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 1ot3 s MET 103 CO -0.07 0.72 0.75 -2.00 -0.01 0.00 0.00 175.02 174.41 1ot3 s GLU 104 N -0.89 4.17 0.24 2.03 2.12 -0.53 -1.28 118.70 124.56 1ot3 s GLU 104 Ca 0.14 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.26 1ot3 s GLU 104 Cb -0.12 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1ot3 s GLU 104 CO 0.03 -0.45 0.00 0.54 -0.54 0.00 0.00 175.26 174.84 1ot3 n ARG 105 N 5.79 -2.03 -2.04 4.30 5.12 -0.32 -4.15 116.66 123.33 1ot3 n ARG 105 Ca 0.03 1.36 -0.03 0.00 -1.93 0.00 0.00 57.85 57.27 1ot3 n ARG 105 Cb 0.48 -2.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 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 -3.29 -0.67 0.12 0.55 3.41 -1.26 -4.62 113.62 107.85 1ot3 n SER 106 Ca 0.00 -1.55 0.02 0.00 -0.26 0.00 0.00 58.87 57.08 1ot3 n SER 106 Cb 0.46 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 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 1.33 0.81 -0.03 -1.33 2.10 -1.95 -2.96 117.51 115.47 1ot3 h ILE 107 Ca -0.10 -2.20 -0.02 0.00 1.08 0.00 0.00 64.86 63.62 1ot3 h ILE 107 Cb 0.40 2.35 -0.00 0.00 -1.09 0.00 0.00 36.82 38.49 1ot3 h ILE 107 CO 0.14 0.46 -0.05 -0.26 -1.08 0.00 0.00 178.15 177.36 1ot3 h PHE 108 N 0.00 0.11 -0.91 2.19 -1.00 -1.99 -2.49 116.94 112.84 1ot3 h PHE 108 Ca -0.03 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1ot3 h PHE 108 Cb 1.43 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.92 1ot3 h PHE 108 CO 0.00 0.60 0.56 0.66 -1.61 0.00 0.00 178.31 178.52 1ot3 h SER 109 N -0.42 1.09 -0.05 2.17 4.64 -1.96 0.13 113.55 119.16 1ot3 h SER 109 Ca 0.00 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1ot3 h SER 109 Cb 0.59 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1ot3 h SER 109 CO 0.01 0.83 -0.06 0.00 -0.87 0.00 0.00 176.83 176.74 1ot3 h ALA 110 N 1.31 1.59 0.00 5.18 0.00 -1.53 -2.01 119.26 123.79 1ot3 h ALA 110 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ot3 h ALA 110 Cb -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ot3 h ALA 110 CO -0.06 0.30 -0.10 -0.09 0.00 0.00 0.00 179.25 179.29 1ot3 h ARG 111 N 0.25 0.00 0.00 0.00 2.43 -0.78 -0.57 114.38 115.71 1ot3 h ARG 111 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ot3 h ARG 111 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1ot3 h ARG 111 CO 0.01 0.00 0.00 1.88 -1.51 0.00 0.00 179.97 180.35 1ot3 h TYR 112 N -0.79 0.00 0.00 2.20 0.99 -0.89 -2.63 116.97 115.85 1ot3 h TYR 112 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ot3 h TYR 112 Cb 0.10 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.83 1ot3 h TYR 112 CO -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.12 1ot3 h PHE 114 N 0.00 0.17 -0.57 0.00 -1.00 -1.57 0.21 116.94 114.17 1ot3 h PHE 114 Ca 0.00 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1ot3 h PHE 114 Cb 0.00 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1ot3 h PHE 114 CO 0.00 0.16 -0.02 0.28 -1.61 0.00 0.00 178.31 177.11 1ot3 h VAL 115 N 0.13 1.26 0.42 -0.55 2.07 -1.17 -1.71 116.25 116.69 1ot3 h VAL 115 Ca 0.04 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 1ot3 h VAL 115 Cb 0.04 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1ot3 h VAL 115 CO -0.01 0.41 -0.20 -0.08 0.02 0.00 0.00 177.57 177.72 1ot3 h GLU 116 N 0.92 -0.54 -0.40 1.57 4.57 -1.29 -3.12 114.58 116.29 1ot3 h GLU 116 Ca 0.16 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.46 1ot3 h GLU 116 Cb 0.56 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 1ot3 h GLU 116 CO 0.03 -0.24 -0.05 -0.97 -1.18 0.00 0.00 179.01 176.60 1ot3 h ASN 117 N -0.84 -0.27 0.00 1.04 -0.00 -0.59 -0.19 115.58 114.73 1ot3 h ASN 117 Ca -0.06 0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1ot3 h ASN 117 Cb 0.55 0.21 0.00 0.00 -0.00 0.00 0.00 38.32 39.08 1ot3 h ASN 117 CO 0.09 -0.09 0.15 0.24 -0.00 0.00 0.00 177.43 177.83 1ot3 h MET 118 N 0.05 0.00 0.08 6.67 2.86 -1.33 -1.36 114.93 121.90 1ot3 h MET 118 Ca 0.20 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.58 1ot3 h MET 118 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1ot3 h MET 118 CO -0.37 0.00 -1.35 -0.09 1.06 0.00 0.00 176.91 176.16 1ot3 h ARG 119 N 0.00 0.16 -0.94 1.72 2.43 -0.97 0.20 114.38 116.98 1ot3 h ARG 119 Ca 0.00 -0.27 0.05 0.00 -0.81 0.00 0.00 59.98 58.94 1ot3 h ARG 119 Cb 0.30 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 1ot3 h ARG 119 CO 0.00 1.13 0.61 0.00 -1.51 0.00 0.00 179.97 180.20 1ot3 h ARG 120 N -0.50 1.11 -0.00 0.20 3.08 -0.95 -1.51 114.38 115.81 1ot3 h ARG 120 Ca -0.31 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1ot3 h ARG 120 Cb 1.61 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1ot3 h ARG 120 CO -0.02 0.74 -0.07 0.27 -1.07 0.00 0.00 179.97 179.82 1ot3 n ASN 121 N -4.46 0.40 0.00 7.04 0.23 -0.94 -4.92 115.26 112.61 1ot3 n ASN 121 Ca 0.13 -0.63 0.00 0.00 -0.53 0.00 0.00 54.58 53.55 1ot3 n ASN 121 Cb 0.13 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1ot3 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ot3 n GLY 122 N 1.23 0.74 0.19 4.83 0.00 -0.57 -4.96 105.19 106.65 1ot3 n GLY 122 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.47 -3.61 1.61 0.02 -0.91 -3.39 113.55 107.74 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 -0.11 -0.25 0.00 0.14 0.00 0.00 62.40 62.18 1ot3 h SER 123 CO 0.00 0.34 -0.61 -0.76 -1.14 0.00 0.00 176.83 174.66 1ot3 s LEU 124 N -10.18 3.84 0.97 5.07 1.43 -0.21 -4.11 118.68 115.49 1ot3 s LEU 124 Ca -0.13 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.26 1ot3 s LEU 124 Cb 0.11 -1.91 0.17 0.00 0.03 0.00 0.00 46.19 44.60 1ot3 s LEU 124 CO 0.73 -0.17 1.08 -1.61 0.23 0.00 0.00 176.35 176.61 1ot3 s GLU 125 N 1.54 0.63 0.16 1.70 2.02 -1.26 -4.59 118.70 118.89 1ot3 s GLU 125 Ca 0.04 0.90 -0.22 0.00 0.02 0.00 0.00 54.97 55.71 1ot3 s GLU 125 Cb -0.17 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.38 1ot3 s GLU 125 CO 0.03 -2.69 1.62 0.37 0.02 0.00 0.00 175.26 174.61 1ot3 h GLN 126 N -1.88 -0.22 -0.55 1.61 5.75 -1.96 -0.56 115.11 117.28 1ot3 h GLN 126 Ca -0.52 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.07 1ot3 h GLN 126 Cb 1.30 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.84 1ot3 h GLN 126 CO 0.52 -0.15 0.22 0.78 -2.65 0.00 0.00 178.83 177.56 1ot3 h GLY 127 N -0.23 0.77 1.25 2.39 0.00 -2.00 -0.52 103.07 104.73 1ot3 h GLY 127 Ca 0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1ot3 h GLY 127 CO -0.43 0.03 0.03 -0.33 0.00 0.00 0.00 176.54 175.83 1ot3 h MET 128 N 0.42 0.91 -0.28 4.80 2.86 -1.79 -2.59 114.93 119.27 1ot3 h MET 128 Ca 0.27 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1ot3 h MET 128 Cb 0.28 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1ot3 h MET 128 CO -0.25 0.88 -0.05 -0.92 1.06 0.00 0.00 176.91 177.64 1ot3 h TYR 129 N 0.85 0.58 -0.95 -0.22 3.20 -0.53 -2.86 116.97 117.04 1ot3 h TYR 129 Ca 0.16 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1ot3 h TYR 129 Cb 0.46 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 1ot3 h TYR 129 CO 0.03 0.71 0.60 -0.91 -1.64 0.00 0.00 178.16 176.95 1ot3 h ASN 130 N 0.29 0.92 -0.06 -2.11 2.35 -0.98 -0.23 115.58 115.75 1ot3 h ASN 130 Ca 0.07 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ot3 h ASN 130 Cb 0.51 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1ot3 h ASN 130 CO 0.02 0.54 0.04 0.74 -1.65 0.00 0.00 177.43 177.12 1ot3 h THR 131 N 1.03 1.05 -0.69 2.81 2.02 -1.40 0.15 112.91 117.88 1ot3 h THR 131 Ca 0.44 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.53 1ot3 h THR 131 Cb 0.31 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1ot3 h THR 131 CO -0.22 0.05 0.40 -0.07 0.37 0.00 0.00 175.52 176.05 1ot3 h LEU 132 N 0.04 0.63 -0.31 2.58 3.38 -1.11 -1.91 115.31 118.61 1ot3 h LEU 132 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ot3 h LEU 132 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ot3 h LEU 132 CO -0.00 0.42 0.14 -0.33 0.09 0.00 0.00 178.44 178.76 1ot3 h GLU 133 N 0.76 0.45 -0.91 1.13 4.39 -0.57 -1.80 114.58 118.03 1ot3 h GLU 133 Ca 0.29 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 60.02 1ot3 h GLU 133 Cb 0.12 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 1ot3 h GLU 133 CO -0.15 0.43 0.59 0.93 -1.16 0.00 0.00 179.01 179.64 1ot3 h GLU 134 N 0.36 0.90 0.01 2.33 4.39 -0.29 0.87 114.58 123.16 1ot3 h GLU 134 Ca 0.11 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ot3 h GLU 134 Cb 0.13 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ot3 h GLU 134 CO -0.01 0.60 -0.01 -1.49 -1.16 0.00 0.00 179.01 176.94 1ot3 h TRP 135 N 0.93 -0.02 -0.42 4.33 4.06 -0.91 -1.13 115.95 122.80 1ot3 h TRP 135 Ca 0.42 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.40 1ot3 h TRP 135 Cb 0.37 0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.50 1ot3 h TRP 135 CO -0.00 0.14 0.20 1.88 -3.56 0.00 0.00 178.44 177.10 1ot3 h TYR 136 N -0.17 0.37 -0.75 0.49 -1.99 -0.42 0.11 116.97 114.61 1ot3 h TYR 136 Ca -0.00 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.83 1ot3 h TYR 136 Cb 0.17 -0.11 -0.07 0.00 2.00 0.00 0.00 36.73 38.72 1ot3 h TYR 136 CO -0.02 0.19 0.40 0.87 -0.00 0.00 0.00 178.16 179.60 1ot3 h LYS 137 N 0.41 0.68 -0.63 4.88 1.57 -0.74 -0.47 116.57 122.27 1ot3 h LYS 137 Ca 0.18 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1ot3 h LYS 137 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1ot3 h LYS 137 CO -0.13 0.45 0.06 0.35 -0.57 0.00 0.00 179.45 179.61 1ot3 h PHE 138 N 0.70 1.15 0.08 -1.35 3.57 -0.51 -2.51 116.94 118.07 1ot3 h PHE 138 Ca 0.36 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1ot3 h PHE 138 Cb 0.32 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1ot3 h PHE 138 CO -0.08 0.99 -0.04 0.82 -2.23 0.00 0.00 178.31 177.77 1ot3 h ILE 139 N 0.98 1.08 -0.16 1.41 2.04 -0.01 -0.10 117.51 122.74 1ot3 h ILE 139 Ca 0.19 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1ot3 h ILE 139 Cb 0.49 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1ot3 h ILE 139 CO 0.02 0.14 0.08 1.05 0.00 0.00 0.00 178.15 179.44 1ot3 h GLU 140 N -0.36 0.21 0.00 2.37 4.11 -1.14 0.16 114.58 119.93 1ot3 h GLU 140 Ca -0.01 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.27 1ot3 h GLU 140 Cb 0.31 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ot3 h GLU 140 CO 0.02 0.16 -0.81 0.93 0.07 0.00 0.00 179.01 179.38 1ot3 h GLU 141 N 0.21 0.00 0.00 1.06 5.08 -1.34 -3.43 114.58 116.17 1ot3 h GLU 141 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ot3 h GLU 141 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ot3 h GLU 141 CO -0.01 0.47 0.00 0.43 -1.00 0.00 0.00 179.01 178.90 1ot3 n SER 142 N -3.13 0.00 -4.77 1.42 7.64 -0.06 -5.02 113.62 109.70 1ot3 n SER 142 Ca -0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.49 1ot3 n SER 142 Cb 0.78 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1ot3 n SER 142 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ot3 s ILE 143 N -0.30 2.96 -0.25 0.44 1.01 0.48 -4.34 121.20 121.21 1ot3 s ILE 143 Ca 0.00 0.72 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 1ot3 s ILE 143 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1ot3 s ILE 143 CO 0.00 -0.01 0.30 -2.28 0.00 0.00 0.00 174.94 172.96 1ot3 s HIS 144 N -1.50 3.29 -0.26 3.97 5.65 -1.20 -4.37 115.29 120.87 1ot3 s HIS 144 Ca 0.64 0.38 -0.08 0.00 0.25 0.00 0.00 55.06 56.26 1ot3 s HIS 144 Cb -0.30 -2.46 -0.02 0.00 -1.18 0.00 0.00 32.58 28.61 1ot3 s HIS 144 CO 0.37 -0.09 0.09 0.08 -0.65 0.00 0.00 174.74 174.53 1ot3 s VAL 145 N 1.59 4.36 -0.00 0.89 1.01 -1.26 -4.78 120.40 122.21 1ot3 s VAL 145 Ca 0.13 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1ot3 s VAL 145 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1ot3 s VAL 145 CO 0.08 0.29 0.94 -1.58 0.00 0.00 0.00 175.10 174.83 1ot3 s GLN 146 N 1.61 4.55 -0.29 2.72 2.00 -1.26 -5.02 119.66 123.97 1ot3 s GLN 146 Ca 0.06 1.35 0.02 0.00 -2.00 0.00 0.00 55.36 54.79 1ot3 s GLN 146 Cb -0.15 -3.45 0.19 0.00 0.80 0.00 0.00 33.01 30.39 1ot3 s GLN 146 CO 0.04 -0.02 0.59 0.00 -0.50 0.00 0.00 175.29 175.40 1ot3 s ALA 147 N 0.94 -2.29 0.00 1.58 0.00 -1.26 -4.87 121.76 115.85 1ot3 s ALA 147 Ca 0.50 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1ot3 s ALA 147 Cb -0.21 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1ot3 s ALA 147 CO 0.27 -1.56 0.00 -0.25 0.00 0.00 0.00 175.76 174.22 1ot3 n ASP 148 N 5.42 0.00 -4.75 0.00 8.00 -0.93 -4.32 116.55 119.97 1ot3 n ASP 148 Ca 0.02 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.17 1ot3 n ASP 148 Cb 0.52 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 41.29 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 -4.05 3.81 -0.18 0.64 2.96 -1.20 -2.20 118.68 118.46 1ot3 s LEU 149 Ca 0.00 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1ot3 s LEU 149 Cb 0.00 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.72 1ot3 s LEU 149 CO 0.00 0.35 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.61 1ot3 s ILE 150 N -1.01 1.75 -0.52 6.68 1.01 -0.73 -1.56 121.20 126.83 1ot3 s ILE 150 Ca 0.17 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 1ot3 s ILE 150 Cb -0.12 -1.69 0.07 0.00 0.01 0.00 0.00 42.46 40.73 1ot3 s ILE 150 CO 0.06 0.37 0.60 -0.63 0.00 0.00 0.00 174.94 175.34 1ot3 s ILE 151 N 1.39 4.93 -0.36 2.92 1.01 0.21 -1.07 121.20 130.22 1ot3 s ILE 151 Ca 0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 1ot3 s ILE 151 Cb -0.14 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1ot3 s ILE 151 CO -0.10 -0.83 0.56 -0.47 0.00 0.00 0.00 174.94 174.11 1ot3 s TYR 152 N 2.44 3.16 -1.14 3.97 5.04 0.12 -1.43 117.35 129.52 1ot3 s TYR 152 Ca 0.12 0.20 -0.13 0.00 -2.44 0.00 0.00 57.07 54.82 1ot3 s TYR 152 Cb -0.21 -3.04 0.20 0.00 0.35 0.00 0.00 41.96 39.26 1ot3 s TYR 152 CO 0.10 -0.61 1.29 -0.51 -1.34 0.00 0.00 175.55 174.48 1ot3 s LEU 153 N 2.53 5.46 0.32 6.97 1.43 -0.62 -1.35 118.68 133.42 1ot3 s LEU 153 Ca 0.21 -3.03 -0.29 0.00 -1.03 0.00 0.00 54.13 49.99 1ot3 s LEU 153 Cb -0.15 -2.34 -0.10 0.00 0.03 0.00 0.00 46.19 43.62 1ot3 s LEU 153 CO 0.14 -0.66 1.32 -0.60 0.23 0.00 0.00 176.35 176.78 1ot3 s ARG 154 N 0.93 4.35 0.21 1.70 3.52 -0.88 -4.50 118.95 124.28 1ot3 s ARG 154 Ca 0.37 2.22 0.02 0.00 -0.13 0.00 0.00 55.73 58.21 1ot3 s ARG 154 Cb -0.05 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1ot3 s ARG 154 CO -0.03 -0.21 0.24 0.25 -0.81 0.00 0.00 175.30 174.73 1ot3 n THR 155 N 1.02 0.00 -4.71 4.11 -2.24 -1.26 -2.46 114.28 108.74 1ot3 n THR 155 Ca 0.01 -1.35 -0.33 0.00 -2.27 0.00 0.00 64.05 60.11 1ot3 n THR 155 Cb 0.42 0.73 -0.12 0.00 -2.10 0.00 0.00 70.33 69.26 1ot3 n THR 155 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ot3 s SER 156 N -2.42 4.35 0.35 3.42 0.15 -1.26 -4.97 113.70 113.32 1ot3 s SER 156 Ca 0.22 -0.13 0.15 0.00 0.70 0.00 0.00 55.95 56.89 1ot3 s SER 156 Cb 0.00 -1.00 1.04 0.00 -1.71 0.00 0.00 66.02 64.36 1ot3 s SER 156 CO 0.16 0.34 1.71 -0.65 1.20 0.00 0.00 173.24 176.00 1ot3 h PRO 157 N 5.15 0.41 -0.20 5.44 0.11 -1.96 0.53 132.00 141.49 1ot3 h PRO 157 Ca -0.48 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 1ot3 h PRO 157 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ot3 h PRO 157 CO 0.51 0.27 -0.58 0.93 -0.21 0.00 0.00 178.00 178.92 1ot3 h GLU 158 N 0.42 0.74 0.01 1.05 3.07 -1.95 -0.88 114.58 117.06 1ot3 h GLU 158 Ca 0.67 -0.54 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1ot3 h GLU 158 Cb 1.53 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 1ot3 h GLU 158 CO -0.47 1.16 -0.01 0.28 -1.40 0.00 0.00 179.01 178.57 1ot3 h VAL 159 N 0.46 1.23 -0.74 3.13 2.07 -1.12 -1.16 116.25 120.12 1ot3 h VAL 159 Ca -0.02 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1ot3 h VAL 159 Cb 1.21 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 1ot3 h VAL 159 CO 0.13 0.19 0.48 0.00 0.02 0.00 0.00 177.57 178.38 1ot3 h ALA 160 N 0.65 0.96 -0.63 1.67 0.00 -0.16 -1.05 119.26 120.70 1ot3 h ALA 160 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ot3 h ALA 160 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ot3 h ALA 160 CO 0.00 0.29 0.37 -0.92 0.00 0.00 0.00 179.25 178.99 1ot3 h TYR 161 N 0.94 0.84 -0.02 0.00 3.20 -1.05 -2.53 116.97 118.35 1ot3 h TYR 161 Ca 0.29 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1ot3 h TYR 161 Cb -0.03 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 1ot3 h TYR 161 CO -0.03 0.57 -0.01 1.49 -1.64 0.00 0.00 178.16 178.53 1ot3 h GLU 162 N 0.87 0.04 -0.23 1.82 4.57 -0.14 -1.51 114.58 120.01 1ot3 h GLU 162 Ca 0.23 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.45 1ot3 h GLU 162 Cb -0.01 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1ot3 h GLU 162 CO -0.04 0.48 0.19 -0.09 -1.18 0.00 0.00 179.01 178.37 1ot3 h ARG 163 N -0.40 0.00 0.09 1.92 2.43 -1.06 -0.48 114.38 116.89 1ot3 h ARG 163 Ca 0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.95 1ot3 h ARG 163 Cb 0.47 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1ot3 h ARG 163 CO 0.00 0.00 -0.95 0.82 -1.51 0.00 0.00 179.97 178.34 1ot3 h ILE 164 N 0.00 1.39 -0.15 1.20 2.04 -1.27 -3.31 117.51 117.40 1ot3 h ILE 164 Ca 0.11 -2.37 -0.08 0.00 1.00 0.00 0.00 64.86 63.51 1ot3 h ILE 164 Cb 0.49 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1ot3 h ILE 164 CO -0.00 0.70 -0.27 -0.09 0.00 0.00 0.00 178.15 178.49 1ot3 h ARG 165 N -0.01 0.29 -1.57 2.37 9.65 -0.21 -2.79 114.38 122.11 1ot3 h ARG 165 Ca -0.15 -0.10 -0.48 0.00 -1.10 0.00 0.00 59.98 58.15 1ot3 h ARG 165 Cb 1.67 -0.02 -0.19 0.00 -1.39 0.00 0.00 29.97 30.04 1ot3 h ARG 165 CO 0.18 0.54 0.57 1.04 2.80 0.00 0.00 179.97 185.10 1ot3 n GLN 166 N -4.14 2.23 -4.14 0.20 6.02 -0.29 -4.89 117.38 112.38 1ot3 n GLN 166 Ca -0.01 -2.31 -0.22 0.00 -0.01 0.00 0.00 57.00 54.46 1ot3 n GLN 166 Cb 0.38 -1.95 -0.07 0.00 1.02 0.00 0.00 30.24 29.63 1ot3 n GLN 166 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ot3 n ARG 167 N 0.13 0.55 -2.70 -1.09 1.74 -1.05 -4.97 116.66 109.27 1ot3 n ARG 167 Ca 0.44 -3.10 -0.36 0.00 -0.77 0.00 0.00 57.85 54.07 1ot3 n ARG 167 Cb 0.56 1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 33.84 1ot3 n ARG 167 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ot3 s ALA 168 N -3.06 3.11 -0.42 7.54 0.00 -1.26 -4.95 121.76 122.72 1ot3 s ALA 168 Ca 0.23 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 1ot3 s ALA 168 Cb 0.01 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1ot3 s ALA 168 CO 0.16 0.01 1.72 1.03 0.00 0.00 0.00 175.76 178.68 1ot3 s ARG 169 N -2.53 3.23 0.00 0.00 0.52 -1.26 -4.89 118.95 114.02 1ot3 s ARG 169 Ca 0.56 1.12 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 1ot3 s ARG 169 Cb -0.17 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.09 1ot3 s ARG 169 CO 0.22 -1.99 0.00 0.43 0.02 0.00 0.00 175.30 173.98 1ot3 n SER 170 N 10.50 0.04 -0.04 0.23 7.64 -1.26 -5.00 113.62 125.74 1ot3 n SER 170 Ca 0.21 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.99 1ot3 n SER 170 Cb 0.48 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.54 1ot3 n SER 170 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ot3 n GLU 171 N 0.00 0.65 0.08 1.43 4.71 -1.26 -4.08 120.64 122.16 1ot3 n GLU 171 Ca 0.00 0.24 0.12 0.00 -0.01 0.00 0.00 57.16 57.51 1ot3 n GLU 171 Cb 0.00 -1.74 0.28 0.00 -1.01 0.00 0.00 31.44 28.98 1ot3 n GLU 171 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1ot3 n GLU 172 N -3.02 0.26 0.00 3.49 0.28 -1.26 -4.07 120.64 116.32 1ot3 n GLU 172 Ca -0.21 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1ot3 n GLU 172 Cb 1.07 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 32.22 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 -2.14 0.13 -0.26 -1.84 3.41 -1.26 -1.57 113.62 110.10 1ot3 n SER 173 Ca 0.04 -0.49 0.04 0.00 -0.26 0.00 0.00 58.87 58.20 1ot3 n SER 173 Cb 0.43 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.22 4.77 0.54 0.00 -7.23 -0.61 -5.02 120.40 111.63 1ot3 s VAL 175 Ca 0.13 2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 62.09 1ot3 s VAL 175 Cb 0.11 -4.29 -0.05 0.00 0.56 0.00 0.00 36.38 32.71 1ot3 s VAL 175 CO 0.01 0.09 1.30 -2.84 -0.31 0.00 0.00 175.10 173.36 1ot3 s PRO 176 N 1.45 3.23 0.31 4.82 0.02 -1.26 -4.89 135.00 138.67 1ot3 s PRO 176 Ca 0.51 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.68 1ot3 s PRO 176 Cb -0.20 -2.25 0.68 0.00 0.02 0.00 0.00 34.50 32.75 1ot3 s PRO 176 CO 0.24 -1.08 1.83 1.25 -0.33 0.00 0.00 177.00 178.91 1ot3 h LEU 177 N 1.50 0.82 -1.27 -5.54 5.85 -1.95 0.53 115.31 115.25 1ot3 h LEU 177 Ca -0.51 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1ot3 h LEU 177 Cb 1.29 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1ot3 h LEU 177 CO 0.57 0.39 0.53 0.50 -0.34 0.00 0.00 178.44 180.09 1ot3 h LYS 178 N 0.85 0.86 0.74 1.25 3.64 -1.98 -2.09 116.57 119.83 1ot3 h LYS 178 Ca 0.51 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1ot3 h LYS 178 Cb 0.68 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ot3 h LYS 178 CO -0.28 0.57 -0.36 -0.92 -2.27 0.00 0.00 179.45 176.19 1ot3 h TYR 179 N 0.89 -0.94 -0.39 1.91 3.20 -1.24 -1.82 116.97 118.58 1ot3 h TYR 179 Ca 0.35 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.31 1ot3 h TYR 179 Cb 0.22 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1ot3 h TYR 179 CO -0.00 -0.58 0.34 -0.07 -1.64 0.00 0.00 178.16 176.21 1ot3 h LEU 180 N -1.00 0.00 0.01 2.82 3.38 -1.32 -1.46 115.31 117.74 1ot3 h LEU 180 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ot3 h LEU 180 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1ot3 h LEU 180 CO 0.16 0.00 -0.00 1.56 0.09 0.00 0.00 178.44 180.25 1ot3 h GLN 181 N 0.00 -0.01 -0.33 1.13 4.20 -0.74 -0.73 115.11 118.63 1ot3 h GLN 181 Ca 0.18 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1ot3 h GLN 181 Cb 0.86 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 1ot3 h GLN 181 CO -0.00 0.46 0.05 0.93 -0.67 0.00 0.00 178.83 179.59 1ot3 h GLU 182 N -0.49 0.15 -0.54 1.46 5.08 -0.48 -0.78 114.58 118.99 1ot3 h GLU 182 Ca -0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ot3 h GLU 182 Cb 0.48 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1ot3 h GLU 182 CO 0.00 0.10 0.29 -0.07 -1.00 0.00 0.00 179.01 178.33 1ot3 h LEU 183 N 0.15 0.68 -0.25 1.33 3.38 -1.45 -1.94 115.31 117.21 1ot3 h LEU 183 Ca 0.16 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1ot3 h LEU 183 Cb 0.19 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1ot3 h LEU 183 CO -0.23 0.58 -0.19 -0.74 0.09 0.00 0.00 178.44 177.95 1ot3 h HIS 184 N 0.72 -0.48 -0.41 1.13 2.76 -0.38 0.03 115.15 118.52 1ot3 h HIS 184 Ca 0.19 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1ot3 h HIS 184 Cb 0.05 0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1ot3 h HIS 184 CO -0.01 -0.26 0.24 0.93 -1.30 0.00 0.00 177.93 177.52 1ot3 h GLU 185 N -0.18 0.47 -0.86 5.26 4.39 -0.90 -2.13 114.58 120.63 1ot3 h GLU 185 Ca 0.14 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.87 1ot3 h GLU 185 Cb 0.39 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 1ot3 h GLU 185 CO -0.36 0.31 0.54 -0.07 -1.16 0.00 0.00 179.01 178.27 1ot3 h LEU 186 N 0.49 0.85 -1.22 1.33 3.38 -0.73 -0.33 115.31 119.08 1ot3 h LEU 186 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1ot3 h LEU 186 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1ot3 h LEU 186 CO -0.07 0.55 0.33 0.45 0.09 0.00 0.00 178.44 179.78 1ot3 h HIS 187 N 0.98 0.85 0.04 1.13 3.86 -0.52 -2.32 115.15 119.19 1ot3 h HIS 187 Ca 0.37 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1ot3 h HIS 187 Cb 0.16 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1ot3 h HIS 187 CO -0.03 0.61 -0.02 0.93 0.86 0.00 0.00 177.93 180.28 1ot3 h GLU 188 N 0.88 -0.05 -0.89 2.45 4.39 -0.51 -0.48 114.58 120.36 1ot3 h GLU 188 Ca 0.22 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.99 1ot3 h GLU 188 Cb 0.05 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1ot3 h GLU 188 CO -0.03 0.21 0.58 -0.44 -1.16 0.00 0.00 179.01 178.17 1ot3 h ASP 189 N -0.32 0.88 0.07 1.42 3.32 -0.89 0.29 116.42 121.20 1ot3 h ASP 189 Ca -0.01 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1ot3 h ASP 189 Cb 0.30 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ot3 h ASP 189 CO 0.01 0.57 -0.41 -0.25 -1.72 0.00 0.00 179.24 177.44 1ot3 h TRP 190 N 1.01 0.27 0.00 4.55 7.01 -1.39 -3.34 115.95 124.06 1ot3 h TRP 190 Ca 0.38 -0.20 -0.14 0.00 2.11 0.00 0.00 58.89 61.03 1ot3 h TRP 190 Cb 0.19 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 1ot3 h TRP 190 CO -0.00 1.15 -0.80 -0.07 -2.79 0.00 0.00 178.44 175.93 1ot3 h LEU 191 N -0.68 0.00 0.00 0.65 3.38 -1.03 -3.44 115.31 114.19 1ot3 h LEU 191 Ca -0.07 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1ot3 h LEU 191 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1ot3 h LEU 191 CO 0.08 1.29 0.00 -0.38 0.09 0.00 0.00 178.44 179.52 1ot3 n ILE 192 N -4.50 0.00 0.09 1.22 2.08 0.78 -4.96 119.36 114.06 1ot3 n ILE 192 Ca -0.24 0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.37 1ot3 n ILE 192 Cb 0.59 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 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 -1.44 0.00 -0.03 1.39 8.25 0.27 -4.99 115.22 118.66 1ot3 n HIS 193 Ca 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1ot3 n HIS 193 Cb 0.00 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 1ot3 n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ot3 s LYS 201 N -3.63 4.43 -0.24 0.00 -0.14 -1.25 -4.99 119.74 113.93 1ot3 s LYS 201 Ca -0.16 1.15 -0.03 0.00 -1.36 0.00 0.00 55.97 55.58 1ot3 s LYS 201 Cb 0.01 -2.74 0.08 0.00 -1.68 0.00 0.00 37.83 33.49 1ot3 s LYS 201 CO 0.71 0.28 0.07 0.08 -0.76 0.00 0.00 175.35 175.72 1ot3 s VAL 202 N -1.66 0.51 -0.28 3.17 1.01 -1.26 -1.77 120.40 120.11 1ot3 s VAL 202 Ca 0.50 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1ot3 s VAL 202 Cb -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1ot3 s VAL 202 CO 0.22 -0.42 0.85 -0.22 0.00 0.00 0.00 175.10 175.53 1ot3 s LEU 203 N 1.84 4.06 0.01 3.92 2.96 -0.24 -4.90 118.68 126.33 1ot3 s LEU 203 Ca 0.04 0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 1ot3 s LEU 203 Cb -0.17 -3.20 -0.06 0.00 0.50 0.00 0.00 46.19 43.27 1ot3 s LEU 203 CO -0.17 -0.61 0.43 -0.69 -1.32 0.00 0.00 176.35 173.98 1ot3 s VAL 204 N 3.01 5.00 0.08 1.68 1.01 -1.26 -0.70 120.40 129.21 1ot3 s VAL 204 Ca 0.35 0.88 0.04 0.00 0.00 0.00 0.00 61.98 63.25 1ot3 s VAL 204 Cb -0.14 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1ot3 s VAL 204 CO 0.11 0.57 -0.10 -0.76 0.00 0.00 0.00 175.10 174.91 1ot3 s LEU 205 N -1.04 2.33 -0.76 3.92 1.43 -0.46 -4.97 118.68 119.15 1ot3 s LEU 205 Ca 0.24 -0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 1ot3 s LEU 205 Cb -0.17 -0.31 0.18 0.00 0.03 0.00 0.00 46.19 45.92 1ot3 s LEU 205 CO 0.14 -0.20 0.74 -1.81 0.23 0.00 0.00 176.35 175.44 1ot3 s ASP 206 N -2.04 6.58 -0.33 2.29 -0.00 -1.26 -2.07 116.67 119.84 1ot3 s ASP 206 Ca -0.01 -2.34 -0.01 0.00 -0.00 0.00 0.00 52.55 50.19 1ot3 s ASP 206 Cb -0.06 -2.23 0.21 0.00 -0.00 0.00 0.00 42.92 40.83 1ot3 s ASP 206 CO 0.01 -0.72 2.06 0.00 -0.00 0.00 0.00 175.17 176.51 1ot3 n ALA 207 N 4.67 5.19 0.99 5.23 0.00 -1.03 -5.03 120.51 130.52 1ot3 n ALA 207 Ca 0.07 -1.73 0.12 0.00 0.00 0.00 0.00 53.44 51.90 1ot3 n ALA 207 Cb 0.45 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.59 1ot3 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25