#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 4.21 0.14 -0.78 1.02 -1.26 -4.91 119.74 118.16 1ot3 s LYS 13 Ca 0.00 2.39 -0.34 0.00 0.02 0.00 0.00 55.97 58.04 1ot3 s LYS 13 Cb 0.00 -3.12 -0.16 0.00 -0.52 0.00 0.00 37.83 34.03 1ot3 s LYS 13 CO 0.00 -0.58 1.33 0.98 -0.92 0.00 0.00 175.35 176.16 1ot3 n TYR 14 N 3.41 1.63 -2.28 3.18 9.36 -1.22 -2.93 117.16 128.32 1ot3 n TYR 14 Ca 0.12 0.57 -0.06 0.00 3.32 0.00 0.00 57.90 61.85 1ot3 n TYR 14 Cb 0.38 -2.36 0.03 0.00 -0.63 0.00 0.00 39.34 36.76 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 2.26 -1.41 -1.00 2.98 0.00 -1.26 -3.59 120.51 118.50 1ot3 n ALA 15 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ot3 n ALA 15 Cb 0.24 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.89 1ot3 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ot3 n GLU 16 N -2.24 0.00 -1.87 0.00 -0.58 -1.15 -4.63 120.64 110.17 1ot3 n GLU 16 Ca -0.03 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.32 1ot3 n GLU 16 Cb 0.55 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.39 1ot3 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ot3 n GLY 17 N 4.42 2.49 0.05 0.62 0.00 -1.26 -3.74 105.19 107.76 1ot3 n GLY 17 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 6.44 0.00 -4.10 2.61 -2.24 -1.26 -5.10 114.28 110.63 1ot3 n THR 18 Ca 0.49 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.94 1ot3 n THR 18 Cb 0.43 0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.67 1ot3 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ot3 s GLN 19 N 0.00 2.81 0.20 -0.78 -1.52 -1.25 -4.30 119.66 114.82 1ot3 s GLN 19 Ca 0.00 -0.95 -0.03 0.00 -1.95 0.00 0.00 55.36 52.42 1ot3 s GLN 19 Cb 0.00 -2.66 0.05 0.00 -0.22 0.00 0.00 33.01 30.18 1ot3 s GLN 19 CO 0.00 -0.30 0.25 -0.35 -0.25 0.00 0.00 175.29 174.64 1ot3 n PRO 20 N 4.58 -0.46 -1.67 2.91 -0.04 -1.26 -4.92 135.00 134.14 1ot3 n PRO 20 Ca -0.19 -0.39 -0.48 0.00 -0.04 0.00 0.00 63.50 62.40 1ot3 n PRO 20 Cb 0.48 -0.28 -0.05 0.00 -0.04 0.00 0.00 33.50 33.62 1ot3 n PRO 20 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ot3 n PHE 21 N -2.46 2.20 -4.79 0.54 7.35 -1.21 -4.69 117.46 114.41 1ot3 n PHE 21 Ca 0.03 0.23 -0.33 0.00 -0.76 0.00 0.00 57.45 56.62 1ot3 n PHE 21 Cb 0.11 -2.56 -0.14 0.00 0.35 0.00 0.00 39.48 37.24 1ot3 n PHE 21 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ot3 s THR 22 N 2.02 3.03 -0.16 -2.13 2.01 -1.26 -0.18 115.64 118.97 1ot3 s THR 22 Ca 0.85 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 1ot3 s THR 22 Cb -0.73 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1ot3 s THR 22 CO 0.45 0.53 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.18 1ot3 s VAL 23 N 0.34 3.88 -0.30 3.82 1.01 0.17 -1.80 120.40 127.52 1ot3 s VAL 23 Ca -0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ot3 s VAL 23 Cb -0.16 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1ot3 s VAL 23 CO 0.06 0.49 0.09 -0.76 0.00 0.00 0.00 175.10 174.98 1ot3 s LEU 24 N 0.43 3.93 -0.37 3.92 1.43 0.08 -0.03 118.68 128.07 1ot3 s LEU 24 Ca -0.04 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.09 1ot3 s LEU 24 Cb -0.14 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1ot3 s LEU 24 CO 0.03 -0.21 0.81 -0.63 0.23 0.00 0.00 176.35 176.58 1ot3 s ILE 25 N 1.50 4.70 0.30 -0.59 -1.09 0.20 -0.10 121.20 126.13 1ot3 s ILE 25 Ca 0.02 0.90 0.10 0.00 -2.23 0.00 0.00 60.65 59.44 1ot3 s ILE 25 Cb -0.17 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 1ot3 s ILE 25 CO 0.03 -0.47 -0.05 -1.61 -1.23 0.00 0.00 174.94 171.60 1ot3 s GLU 26 N 3.17 2.02 0.00 2.79 0.41 -0.05 -0.41 118.70 126.63 1ot3 s GLU 26 Ca 0.32 -1.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.21 1ot3 s GLU 26 Cb -0.13 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 30.28 1ot3 s GLU 26 CO 0.18 0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.61 1ot3 n GLY 27 N -0.84 2.51 3.62 -1.39 0.00 -1.26 -0.72 105.19 107.10 1ot3 n GLY 27 Ca -0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 1.05 -0.06 1.61 3.84 -1.26 -4.92 114.94 115.20 1ot3 s ASN 28 Ca 0.00 0.59 -0.30 0.00 0.21 0.00 0.00 52.86 53.36 1ot3 s ASN 28 Cb 0.00 -0.81 -0.03 0.00 -0.55 0.00 0.00 41.25 39.86 1ot3 s ASN 28 CO 0.00 -4.04 1.23 -0.63 -2.79 0.00 0.00 177.10 170.87 1ot3 s ILE 29 N -3.08 4.20 0.00 -5.21 1.01 -1.26 -2.88 121.20 113.98 1ot3 s ILE 29 Ca 0.71 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.89 1ot3 s ILE 29 Cb -0.09 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1ot3 s ILE 29 CO 0.56 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1ot3 n GLY 30 N 3.41 0.59 1.26 6.18 0.00 -1.26 -4.71 105.19 110.66 1ot3 n GLY 30 Ca 0.11 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.46 1ot3 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ot3 n SER 31 N 1.77 3.76 -0.32 1.61 3.41 -1.14 -4.38 113.62 118.32 1ot3 n SER 31 Ca 0.00 -1.99 -0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1ot3 n SER 31 Cb 0.47 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.70 0.12 5.00 0.00 -1.26 -4.89 105.19 106.41 1ot3 n GLY 32 Ca 0.22 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.01 0.33 0.05 1.61 1.57 -1.92 -2.87 116.57 115.31 1ot3 h LYS 33 Ca -0.01 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1ot3 h LYS 33 Cb 1.00 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1ot3 h LYS 33 CO 0.01 1.22 -0.02 1.15 -0.57 0.00 0.00 179.45 181.23 1ot3 h THR 34 N 0.11 1.19 -0.64 -0.16 2.02 -1.99 -1.87 112.91 111.57 1ot3 h THR 34 Ca -0.13 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.25 1ot3 h THR 34 Cb 1.90 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 70.00 1ot3 h THR 34 CO 0.20 0.20 0.41 0.74 0.37 0.00 0.00 175.52 177.45 1ot3 h THR 35 N -0.43 1.13 0.33 3.16 2.02 -1.99 -2.70 112.91 114.43 1ot3 h THR 35 Ca -0.01 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1ot3 h THR 35 Cb 0.38 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1ot3 h THR 35 CO 0.01 0.15 -0.25 0.22 0.37 0.00 0.00 175.52 176.02 1ot3 h TYR 36 N 0.83 -0.67 0.00 3.16 3.20 -1.46 -2.59 116.97 119.44 1ot3 h TYR 36 Ca 0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1ot3 h TYR 36 Cb -0.05 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1ot3 h TYR 36 CO -0.04 -0.38 0.00 -0.07 -1.64 0.00 0.00 178.16 176.03 1ot3 h LEU 37 N -0.59 0.00 -2.02 2.82 3.38 -1.23 -2.51 115.31 115.16 1ot3 h LEU 37 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ot3 h LEU 37 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ot3 h LEU 37 CO -0.01 0.00 -0.02 0.78 0.09 0.00 0.00 178.44 179.28 1ot3 h ASN 38 N 0.00 0.00 0.47 -0.43 2.35 -1.12 -2.01 115.58 114.83 1ot3 h ASN 38 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1ot3 h ASN 38 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ot3 h ASN 38 CO 0.00 0.02 -0.09 0.45 -1.65 0.00 0.00 177.43 176.16 1ot3 h HIS 39 N 0.00 0.00 -0.00 1.19 3.86 -1.58 -0.31 115.15 118.31 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 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1ot3 h HIS 39 CO 0.00 0.09 -0.61 1.19 0.86 0.00 0.00 177.93 179.47 1ot3 n PHE 40 N -3.46 0.00 0.27 2.45 3.01 -0.76 -4.18 117.46 114.79 1ot3 n PHE 40 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 1ot3 n PHE 40 Cb 0.24 -0.17 0.54 0.00 -0.01 0.00 0.00 39.48 40.07 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 0.13 0.00 -0.38 -1.08 4.57 -1.04 0.92 114.58 117.70 1ot3 h GLU 41 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ot3 h GLU 41 Cb 0.51 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1ot3 h GLU 41 CO 0.00 0.00 0.00 0.36 -1.18 0.00 0.00 179.01 178.19 1ot3 n LYS 42 N -2.88 3.62 -0.01 1.92 2.85 -1.26 -4.30 118.16 118.10 1ot3 n LYS 42 Ca 0.01 -2.97 0.01 0.00 -1.05 0.00 0.00 58.31 54.31 1ot3 n LYS 42 Cb 0.67 -2.00 0.01 0.00 -0.65 0.00 0.00 35.03 33.06 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 -0.12 0.00 -0.32 5.58 4.02 0.32 -4.72 117.16 121.92 1ot3 n TYR 43 Ca 0.24 -0.55 0.17 0.00 -0.01 0.00 0.00 57.90 57.75 1ot3 n TYR 43 Cb 1.01 -0.06 0.37 0.00 -0.02 0.00 0.00 39.34 40.64 1ot3 n TYR 43 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ot3 h LYS 44 N 0.01 0.35 0.00 -0.72 1.79 -1.75 0.48 116.57 116.73 1ot3 h LYS 44 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1ot3 h LYS 44 Cb 0.55 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1ot3 h LYS 44 CO 0.00 0.23 0.00 0.09 -1.08 0.00 0.00 179.45 178.69 1ot3 n ASN 45 N -5.07 0.00 0.00 0.86 3.02 -1.26 -3.59 115.26 109.22 1ot3 n ASN 45 Ca 0.26 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1ot3 n ASN 45 Cb 0.77 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 -1.20 0.24 -4.45 6.41 9.92 0.14 -5.12 116.55 122.50 1ot3 n ASP 46 Ca 0.02 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.01 1ot3 n ASP 46 Cb 0.03 0.02 -0.12 0.00 -0.64 0.00 0.00 41.12 40.41 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 -1.05 2.51 -0.65 0.53 1.01 0.42 -4.51 121.20 119.46 1ot3 s ILE 47 Ca 0.00 -1.85 -0.21 0.00 0.00 0.00 0.00 60.65 58.59 1ot3 s ILE 47 Cb 0.00 -2.18 0.09 0.00 0.01 0.00 0.00 42.46 40.38 1ot3 s ILE 47 CO 0.00 -0.04 0.85 0.00 0.00 0.00 0.00 174.94 175.75 1ot3 s LEU 49 N 3.29 4.50 -0.33 0.00 1.98 -1.26 -0.74 118.68 126.12 1ot3 s LEU 49 Ca 0.18 -0.39 -0.00 0.00 -2.89 0.00 0.00 54.13 51.02 1ot3 s LEU 49 Cb -0.19 -2.15 0.07 0.00 0.66 0.00 0.00 46.19 44.58 1ot3 s LEU 49 CO 0.07 -0.23 0.04 -0.76 -1.89 0.00 0.00 176.35 173.57 1ot3 s LEU 50 N 1.75 4.29 0.70 -0.68 1.43 -0.16 -5.00 118.68 121.00 1ot3 s LEU 50 Ca 0.07 -1.60 -0.10 0.00 -1.03 0.00 0.00 54.13 51.46 1ot3 s LEU 50 Cb -0.17 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1ot3 s LEU 50 CO 0.11 -0.34 1.07 0.42 0.23 0.00 0.00 176.35 177.84 1ot3 s THR 51 N 1.15 3.28 0.16 5.49 -4.23 -1.26 -0.94 115.64 119.30 1ot3 s THR 51 Ca -0.00 0.30 -0.34 0.00 -1.18 0.00 0.00 61.69 60.47 1ot3 s THR 51 Cb -0.20 -3.39 -0.14 0.00 1.34 0.00 0.00 72.50 70.10 1ot3 s THR 51 CO -0.03 -0.49 1.57 -0.62 -0.54 0.00 0.00 174.62 174.51 1ot3 n GLU 52 N -2.96 2.15 -0.10 3.99 1.02 -1.26 -4.74 120.64 118.74 1ot3 n GLU 52 Ca 0.07 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1ot3 n GLU 52 Cb 0.58 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1ot3 n GLU 52 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ot3 n PRO 53 N 3.37 0.26 -0.25 3.49 -0.02 -1.26 -4.39 135.00 136.21 1ot3 n PRO 53 Ca 0.17 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1ot3 n PRO 53 Cb 0.29 -1.37 0.41 0.00 -0.02 0.00 0.00 33.50 32.81 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 1.50 0.82 -0.52 -1.45 2.07 -1.99 -1.26 116.25 115.42 1ot3 h VAL 54 Ca 0.00 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 1ot3 h VAL 54 Cb 0.26 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1ot3 h VAL 54 CO 0.00 0.11 -0.14 -0.33 0.02 0.00 0.00 177.57 177.24 1ot3 h GLU 55 N 0.63 1.00 -0.62 1.57 4.39 -1.99 -0.90 114.58 118.66 1ot3 h GLU 55 Ca 0.43 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1ot3 h GLU 55 Cb 0.76 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1ot3 h GLU 55 CO -0.19 1.07 0.18 0.87 -1.16 0.00 0.00 179.01 179.78 1ot3 h LYS 56 N 0.87 0.95 0.00 2.33 1.57 -1.56 -0.91 116.57 119.81 1ot3 h LYS 56 Ca 0.13 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1ot3 h LYS 56 Cb 0.71 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1ot3 h LYS 56 CO 0.05 0.83 -0.24 -1.49 -0.57 0.00 0.00 179.45 178.03 1ot3 h TRP 57 N 0.91 0.00 0.00 -1.35 6.55 -0.83 -2.36 115.95 118.87 1ot3 h TRP 57 Ca 0.20 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.04 1ot3 h TRP 57 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1ot3 h TRP 57 CO 0.02 0.24 -0.49 0.00 -1.05 0.00 0.00 178.44 177.16 1ot3 h ARG 58 N 0.00 0.00 -2.58 0.49 3.08 -0.37 -2.81 114.38 112.20 1ot3 h ARG 58 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1ot3 h ARG 58 Cb 0.64 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.30 1ot3 h ARG 58 CO 0.03 0.00 -0.86 1.21 -1.07 0.00 0.00 179.97 179.28 1ot3 s ASN 59 N -4.52 2.43 -1.14 7.04 2.47 -0.42 -3.91 114.94 116.89 1ot3 s ASN 59 Ca 0.07 -3.22 -0.09 0.00 0.42 0.00 0.00 52.86 50.04 1ot3 s ASN 59 Cb 0.12 -0.76 0.26 0.00 -1.45 0.00 0.00 41.25 39.42 1ot3 s ASN 59 CO 0.70 -0.16 1.35 0.52 -3.72 0.00 0.00 177.10 175.79 1ot3 n VAL 60 N 2.69 4.70 -2.55 -5.21 0.31 0.11 -4.48 118.33 113.91 1ot3 n VAL 60 Ca 0.26 -5.32 -0.21 0.00 -0.01 0.00 0.00 64.34 59.06 1ot3 n VAL 60 Cb 0.44 -2.41 -0.00 0.00 -0.91 0.00 0.00 33.84 30.96 1ot3 n VAL 60 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ot3 n ASN 61 N 2.96 -5.77 0.00 4.52 4.13 -1.26 -2.21 115.26 117.62 1ot3 n ASN 61 Ca 0.28 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1ot3 n ASN 61 Cb 0.38 -4.78 0.00 0.00 -1.54 0.00 0.00 39.78 33.84 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 -1.10 0.88 3.84 7.41 0.00 -1.26 -5.10 105.19 109.86 1ot3 n GLY 62 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.35 4.86 -0.79 1.61 1.01 -0.94 -4.94 120.40 119.85 1ot3 s VAL 63 Ca 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 62.79 1ot3 s VAL 63 Cb 0.00 -3.76 0.20 0.00 0.00 0.00 0.00 36.38 32.82 1ot3 s VAL 63 CO 0.00 0.33 0.68 0.21 0.00 0.00 0.00 175.10 176.33 1ot3 s ASN 64 N -1.55 6.15 0.37 3.32 3.84 -1.25 0.05 114.94 125.87 1ot3 s ASN 64 Ca 0.35 -2.98 0.06 0.00 0.21 0.00 0.00 52.86 50.49 1ot3 s ASN 64 Cb -0.16 -2.04 0.71 0.00 -0.55 0.00 0.00 41.25 39.21 1ot3 s ASN 64 CO 0.19 -0.42 1.94 -0.07 -2.79 0.00 0.00 177.10 175.94 1ot3 h LEU 65 N 7.16 0.45 -0.32 3.21 3.38 -1.77 -1.93 115.31 125.48 1ot3 h LEU 65 Ca 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ot3 h LEU 65 Cb 0.96 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1ot3 h LEU 65 CO 0.77 0.47 0.19 0.25 0.09 0.00 0.00 178.44 180.21 1ot3 h LEU 66 N 0.48 0.39 -0.75 1.67 5.85 -1.89 0.95 115.31 122.01 1ot3 h LEU 66 Ca 0.11 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1ot3 h LEU 66 Cb 0.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ot3 h LEU 66 CO -0.00 0.34 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.16 1ot3 h GLU 67 N 0.41 0.74 -0.30 1.25 4.81 -1.80 -3.00 114.58 116.69 1ot3 h GLU 67 Ca 0.11 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1ot3 h GLU 67 Cb 0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1ot3 h GLU 67 CO -0.02 0.88 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.01 1ot3 h LEU 68 N 0.65 0.59 -0.68 1.64 3.38 -0.98 -2.28 115.31 117.63 1ot3 h LEU 68 Ca 0.10 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1ot3 h LEU 68 Cb 0.69 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1ot3 h LEU 68 CO 0.05 0.81 0.43 -0.03 0.09 0.00 0.00 178.44 179.79 1ot3 h MET 69 N 0.35 0.83 0.00 1.13 4.05 -0.78 -0.88 114.93 119.64 1ot3 h MET 69 Ca 0.08 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 1ot3 h MET 69 Cb 0.55 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1ot3 h MET 69 CO 0.03 0.55 -0.50 1.88 0.23 0.00 0.00 176.91 179.10 1ot3 h TYR 70 N 0.86 0.00 0.00 1.39 0.99 -1.50 0.34 116.97 119.04 1ot3 h TYR 70 Ca 0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.00 1ot3 h TYR 70 Cb -0.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.72 1ot3 h TYR 70 CO -0.04 0.50 -0.29 1.17 -0.00 0.00 0.00 178.16 179.50 1ot3 n LYS 71 N -3.88 0.08 -2.69 4.88 4.81 -0.86 -4.60 118.16 115.90 1ot3 n LYS 71 Ca -0.01 0.04 -0.04 0.00 -0.87 0.00 0.00 58.31 57.42 1ot3 n LYS 71 Cb 0.52 -1.56 0.05 0.00 0.02 0.00 0.00 35.03 34.06 1ot3 n LYS 71 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ot3 n ASP 72 N -1.68 -1.80 0.01 3.14 2.03 -0.38 -5.07 116.55 112.79 1ot3 n ASP 72 Ca 0.06 -1.77 -0.13 0.00 0.52 0.00 0.00 54.79 53.47 1ot3 n ASP 72 Cb 0.36 0.97 -0.07 0.00 -0.72 0.00 0.00 41.12 41.66 1ot3 n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ot3 h PRO 73 N 3.87 -0.52 0.00 -0.67 0.11 -1.13 -2.35 132.00 131.31 1ot3 h PRO 73 Ca -0.10 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ot3 h PRO 73 Cb 1.16 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ot3 h PRO 73 CO -0.07 -0.35 0.49 0.87 -0.21 0.00 0.00 178.00 178.73 1ot3 h LYS 74 N -0.54 0.00 0.00 1.05 1.57 -1.87 0.90 116.57 117.68 1ot3 h LYS 74 Ca 0.06 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.54 1ot3 h LYS 74 Cb 0.66 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.91 1ot3 h LYS 74 CO -0.40 0.00 -2.14 1.17 -0.57 0.00 0.00 179.45 177.51 1ot3 n LYS 75 N -2.64 1.14 -0.00 3.15 4.81 -0.93 -4.76 118.16 118.94 1ot3 n LYS 75 Ca -0.01 0.02 0.04 0.00 -0.87 0.00 0.00 58.31 57.49 1ot3 n LYS 75 Cb 0.52 -1.42 -0.04 0.00 0.02 0.00 0.00 35.03 34.11 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 -2.72 0.00 -0.33 5.64 7.02 -0.63 -4.63 117.44 121.79 1ot3 n TRP 76 Ca -0.29 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.24 1ot3 n TRP 76 Cb 1.00 -0.01 0.21 0.00 -2.42 0.00 0.00 31.31 30.09 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 1.08 1.36 0.37 6.99 0.00 -1.10 0.48 119.26 128.44 1ot3 h ALA 77 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ot3 h ALA 77 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ot3 h ALA 77 CO 0.00 0.14 -0.18 1.98 0.00 0.00 0.00 179.25 181.19 1ot3 h MET 78 N 0.88 -0.48 -0.76 0.00 1.85 -1.82 0.16 114.93 114.76 1ot3 h MET 78 Ca 0.46 0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.61 1ot3 h MET 78 Cb 0.46 0.11 -0.05 0.00 0.43 0.00 0.00 31.60 32.55 1ot3 h MET 78 CO -0.27 -0.32 0.48 -1.00 -0.40 0.00 0.00 176.91 175.39 1ot3 h PRO 79 N -0.54 0.89 -0.16 0.39 0.13 -1.81 -0.98 132.00 129.92 1ot3 h PRO 79 Ca -0.05 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1ot3 h PRO 79 Cb 0.39 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 1ot3 h PRO 79 CO 0.08 0.59 0.05 0.35 -0.23 0.00 0.00 178.00 178.84 1ot3 h PHE 80 N 0.92 0.09 -0.19 1.56 3.57 -0.92 -0.98 116.94 120.99 1ot3 h PHE 80 Ca 0.31 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1ot3 h PHE 80 Cb 0.04 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1ot3 h PHE 80 CO -0.04 0.04 -0.13 1.96 -2.23 0.00 0.00 178.31 177.91 1ot3 h GLN 81 N 0.12 0.30 -0.32 1.11 1.08 -0.36 -0.73 115.11 116.31 1ot3 h GLN 81 Ca 0.07 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 1ot3 h GLN 81 Cb 0.04 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1ot3 h GLN 81 CO -0.07 0.44 -0.24 1.03 -0.95 0.00 0.00 178.83 179.04 1ot3 h SER 82 N 0.28 0.63 -0.14 1.46 0.87 -0.70 -1.90 113.55 114.05 1ot3 h SER 82 Ca 0.06 -0.22 -0.20 0.00 -1.23 0.00 0.00 61.79 60.20 1ot3 h SER 82 Cb 0.41 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1ot3 h SER 82 CO 0.02 0.85 -0.68 0.22 -0.53 0.00 0.00 176.83 176.71 1ot3 h TYR 83 N 0.55 0.96 -0.71 2.24 3.20 -0.49 -2.88 116.97 119.84 1ot3 h TYR 83 Ca 0.08 -0.42 0.09 0.00 3.14 0.00 0.00 58.73 61.61 1ot3 h TYR 83 Cb 0.70 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.75 1ot3 h TYR 83 CO 0.03 1.24 0.36 0.28 -1.64 0.00 0.00 178.16 178.43 1ot3 h VAL 84 N 0.41 0.87 -0.46 1.81 2.07 -0.94 -0.81 116.25 119.21 1ot3 h VAL 84 Ca -0.04 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1ot3 h VAL 84 Cb 1.32 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1ot3 h VAL 84 CO 0.14 0.11 0.19 0.74 0.02 0.00 0.00 177.57 178.77 1ot3 h THR 85 N 0.63 0.89 -0.67 2.57 2.02 -1.31 0.34 112.91 117.38 1ot3 h THR 85 Ca 0.34 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1ot3 h THR 85 Cb 0.33 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1ot3 h THR 85 CO -0.25 0.07 0.30 0.25 0.37 0.00 0.00 175.52 176.26 1ot3 h LEU 86 N 0.38 0.90 -0.98 2.58 5.85 -1.01 -0.27 115.31 122.76 1ot3 h LEU 86 Ca 0.21 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1ot3 h LEU 86 Cb 0.18 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1ot3 h LEU 86 CO -0.19 0.80 -0.50 0.71 -0.34 0.00 0.00 178.44 178.91 1ot3 h THR 87 N 0.94 1.36 -0.10 1.05 1.35 -0.60 -0.76 112.91 116.15 1ot3 h THR 87 Ca 0.23 -1.73 -0.15 0.00 -0.55 0.00 0.00 66.41 64.21 1ot3 h THR 87 Cb 0.16 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1ot3 h THR 87 CO -0.02 0.50 -0.57 0.24 -0.25 0.00 0.00 175.52 175.41 1ot3 h MET 88 N 0.01 0.32 -0.19 4.72 2.86 -0.54 -2.53 114.93 119.58 1ot3 h MET 88 Ca -0.00 -0.21 -0.20 0.00 -2.06 0.00 0.00 59.70 57.23 1ot3 h MET 88 Cb 0.90 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1ot3 h MET 88 CO 0.07 0.80 -0.67 1.25 1.06 0.00 0.00 176.91 179.42 1ot3 h LEU 89 N 0.25 0.86 -0.74 1.22 6.46 -0.52 -0.83 115.31 122.01 1ot3 h LEU 89 Ca 0.00 -0.52 -0.07 0.00 -0.12 0.00 0.00 57.88 57.18 1ot3 h LEU 89 Cb 1.07 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1ot3 h LEU 89 CO 0.09 1.30 0.18 1.56 -0.62 0.00 0.00 178.44 180.95 1ot3 h GLN 90 N 0.54 1.13 0.05 1.25 4.20 -1.09 -1.66 115.11 119.54 1ot3 h GLN 90 Ca -0.02 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 1ot3 h GLN 90 Cb 1.27 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1ot3 h GLN 90 CO 0.14 0.99 -0.02 0.77 -0.67 0.00 0.00 178.83 180.04 1ot3 h SER 91 N 1.08 -0.05 -0.30 1.46 0.02 -1.42 -0.23 113.55 114.10 1ot3 h SER 91 Ca 0.22 -0.48 0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1ot3 h SER 91 Cb 0.36 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1ot3 h SER 91 CO 0.00 0.47 0.32 0.45 -1.14 0.00 0.00 176.83 176.93 1ot3 h HIS 92 N -0.60 0.00 -0.06 3.45 3.86 -1.06 -2.10 115.15 118.65 1ot3 h HIS 92 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ot3 h HIS 92 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1ot3 h HIS 92 CO 0.10 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.14 1ot3 n THR 93 N -3.81 0.23 -1.91 2.45 -2.24 -0.63 -4.51 114.28 103.87 1ot3 n THR 93 Ca 0.05 -0.62 -0.40 0.00 -2.27 0.00 0.00 64.05 60.81 1ot3 n THR 93 Cb 0.47 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.67 3.32 0.26 6.98 0.00 -0.10 -4.81 121.76 126.74 1ot3 s ALA 94 Ca 0.10 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 1ot3 s ALA 94 Cb 0.06 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1ot3 s ALA 94 CO 0.09 -1.01 1.01 -1.25 0.00 0.00 0.00 175.76 174.60 1ot3 s PRO 95 N -2.28 4.75 -0.02 0.00 0.04 -1.26 -4.93 135.00 131.30 1ot3 s PRO 95 Ca 0.57 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 1ot3 s PRO 95 Cb -0.42 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1ot3 s PRO 95 CO 0.55 0.38 0.31 -0.08 0.04 0.00 0.00 177.00 178.19 1ot3 s THR 96 N -1.20 0.06 -0.14 1.26 -1.32 -1.26 -5.05 115.64 107.99 1ot3 s THR 96 Ca 0.43 -0.47 0.18 0.00 -1.21 0.00 0.00 61.69 60.62 1ot3 s THR 96 Cb -0.28 -0.61 -0.13 0.00 -1.51 0.00 0.00 72.50 69.98 1ot3 s THR 96 CO 0.35 -0.26 0.82 0.59 -2.21 0.00 0.00 174.62 173.91 1ot3 n ASN 97 N 1.31 0.79 -4.48 8.08 3.02 -1.26 -4.94 115.26 117.77 1ot3 n ASN 97 Ca -0.21 0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 1ot3 n ASN 97 Cb 0.56 0.33 0.24 0.00 -0.61 0.00 0.00 39.78 40.30 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 -2.82 -2.22 -0.13 3.52 4.76 -1.26 -4.95 118.16 115.06 1ot3 n LYS 98 Ca -0.09 -0.62 0.06 0.00 -2.87 0.00 0.00 58.31 54.80 1ot3 n LYS 98 Cb 0.79 -2.16 0.13 0.00 -1.84 0.00 0.00 35.03 31.94 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 -4.73 2.21 -3.70 1.97 4.76 -1.26 -4.70 118.16 112.71 1ot3 n LYS 99 Ca 0.04 -1.82 -0.15 0.00 -2.87 0.00 0.00 58.31 53.51 1ot3 n LYS 99 Cb 0.54 -1.26 -0.15 0.00 -1.84 0.00 0.00 35.03 32.32 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 -0.99 0.20 -0.12 -0.35 2.96 -1.26 -3.29 118.68 115.82 1ot3 s LEU 100 Ca 0.21 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1ot3 s LEU 100 Cb 0.12 0.34 -0.00 0.00 0.50 0.00 0.00 46.19 47.14 1ot3 s LEU 100 CO 0.16 -0.21 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.04 1ot3 s LYS 101 N 1.89 3.18 -0.22 1.98 2.20 0.75 -1.18 119.74 128.34 1ot3 s LYS 101 Ca -0.02 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1ot3 s LYS 101 Cb -0.12 -2.46 0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1ot3 s LYS 101 CO -0.06 0.16 -0.12 0.42 -0.36 0.00 0.00 175.35 175.39 1ot3 s ILE 102 N 0.43 1.94 -0.06 5.43 1.01 0.08 0.45 121.20 130.48 1ot3 s ILE 102 Ca -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1ot3 s ILE 102 Cb -0.17 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1ot3 s ILE 102 CO 0.06 0.14 -0.04 -0.04 0.00 0.00 0.00 174.94 175.06 1ot3 s MET 103 N 1.25 2.81 -0.26 2.79 -1.94 0.95 -0.99 119.30 123.91 1ot3 s MET 103 Ca -0.04 -0.53 -0.19 0.00 -1.71 0.00 0.00 55.69 53.23 1ot3 s MET 103 Cb -0.17 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 33.99 1ot3 s MET 103 CO -0.08 0.67 0.57 -2.00 -0.01 0.00 0.00 175.02 174.18 1ot3 s GLU 104 N -0.99 4.09 0.32 2.03 2.12 -0.12 -0.63 118.70 125.53 1ot3 s GLU 104 Ca 0.14 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1ot3 s GLU 104 Cb -0.11 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1ot3 s GLU 104 CO 0.03 -0.38 0.00 0.54 -0.54 0.00 0.00 175.26 174.91 1ot3 n ARG 105 N 5.62 -2.31 -3.83 4.30 5.12 0.45 -4.19 116.66 121.82 1ot3 n ARG 105 Ca -0.02 1.64 -0.06 0.00 -1.93 0.00 0.00 57.85 57.47 1ot3 n ARG 105 Cb 0.49 -2.79 0.01 0.00 -1.16 0.00 0.00 32.46 29.02 1ot3 n ARG 105 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ot3 s SER 106 N -6.34 -0.04 0.51 0.55 1.04 -1.26 -4.72 113.70 103.45 1ot3 s SER 106 Ca 0.00 -0.89 0.28 0.00 0.48 0.00 0.00 55.95 55.82 1ot3 s SER 106 Cb 0.00 0.71 1.37 0.00 0.10 0.00 0.00 66.02 68.19 1ot3 s SER 106 CO 0.00 -1.39 2.02 -0.29 0.98 0.00 0.00 173.24 174.56 1ot3 h ILE 107 N 2.00 0.46 -0.10 -1.02 2.10 -1.94 -2.38 117.51 116.63 1ot3 h ILE 107 Ca -0.29 -0.66 -0.15 0.00 1.08 0.00 0.00 64.86 64.84 1ot3 h ILE 107 Cb 1.24 1.46 0.01 0.00 -1.09 0.00 0.00 36.82 38.43 1ot3 h ILE 107 CO 0.36 0.12 -0.54 -0.26 -1.08 0.00 0.00 178.15 176.76 1ot3 h PHE 108 N 0.00 0.73 -0.31 2.19 -1.00 -1.99 -2.45 116.94 114.11 1ot3 h PHE 108 Ca -0.00 -0.33 -0.16 0.00 2.81 0.00 0.00 57.97 60.30 1ot3 h PHE 108 Cb 0.45 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1ot3 h PHE 108 CO 0.00 1.11 -0.43 0.66 -1.61 0.00 0.00 178.31 178.05 1ot3 h SER 109 N 0.14 0.85 -0.61 2.17 4.64 -1.92 0.38 113.55 119.20 1ot3 h SER 109 Ca -0.04 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1ot3 h SER 109 Cb 1.18 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1ot3 h SER 109 CO 0.11 1.15 0.41 0.00 -0.87 0.00 0.00 176.83 177.63 1ot3 h ALA 110 N 0.88 1.58 0.00 5.18 0.00 -1.46 -0.40 119.26 125.04 1ot3 h ALA 110 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ot3 h ALA 110 Cb 0.99 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ot3 h ALA 110 CO 0.09 0.38 -0.10 -0.09 0.00 0.00 0.00 179.25 179.53 1ot3 h ARG 111 N 0.81 0.00 0.00 0.00 2.43 -1.08 0.59 114.38 117.14 1ot3 h ARG 111 Ca 0.23 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1ot3 h ARG 111 Cb -0.06 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1ot3 h ARG 111 CO -0.05 0.00 -0.11 1.88 -1.51 0.00 0.00 179.97 180.18 1ot3 h TYR 112 N -0.72 0.00 0.00 2.20 0.99 -0.32 -2.91 116.97 116.20 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 0.11 -0.01 0.00 -0.00 0.00 0.00 178.16 178.22 1ot3 h PHE 114 N -0.01 0.64 -0.15 0.00 -1.00 -1.45 0.43 116.94 115.40 1ot3 h PHE 114 Ca 0.00 -0.05 -0.10 0.00 2.81 0.00 0.00 57.97 60.63 1ot3 h PHE 114 Cb 0.01 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1ot3 h PHE 114 CO -0.01 0.56 -0.31 0.28 -1.61 0.00 0.00 178.31 177.23 1ot3 h VAL 115 N 0.54 1.36 -0.63 -0.55 2.07 -0.95 -2.49 116.25 115.60 1ot3 h VAL 115 Ca 0.14 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.13 1ot3 h VAL 115 Cb 0.19 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1ot3 h VAL 115 CO -0.01 0.47 0.37 -0.08 0.02 0.00 0.00 177.57 178.34 1ot3 h GLU 116 N 0.10 0.70 -0.02 1.57 4.57 -1.51 -2.11 114.58 117.89 1ot3 h GLU 116 Ca 0.00 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1ot3 h GLU 116 Cb 0.90 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1ot3 h GLU 116 CO 0.07 0.47 -0.09 -0.97 -1.18 0.00 0.00 179.01 177.31 1ot3 h ASN 117 N 0.72 -0.26 0.08 1.04 -0.00 -0.88 -1.68 115.58 114.60 1ot3 h ASN 117 Ca 0.26 0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.60 1ot3 h ASN 117 Cb 0.07 0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.50 1ot3 h ASN 117 CO -0.13 -0.13 -0.00 0.24 -0.00 0.00 0.00 177.43 177.42 1ot3 h MET 118 N -0.14 0.00 0.02 6.67 2.86 -1.00 -0.94 114.93 122.40 1ot3 h MET 118 Ca 0.04 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1ot3 h MET 118 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1ot3 h MET 118 CO -0.10 0.00 -0.19 -0.09 1.06 0.00 0.00 176.91 177.59 1ot3 h ARG 119 N 0.00 0.05 -0.69 1.72 2.43 -0.70 0.26 114.38 117.44 1ot3 h ARG 119 Ca -0.00 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1ot3 h ARG 119 Cb 0.04 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1ot3 h ARG 119 CO 0.00 1.04 0.41 0.00 -1.51 0.00 0.00 179.97 179.91 1ot3 h ARG 120 N -0.89 0.76 -0.07 0.20 3.08 -0.39 -2.08 114.38 114.99 1ot3 h ARG 120 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ot3 h ARG 120 Cb 1.12 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ot3 h ARG 120 CO 0.02 0.50 0.00 0.27 -1.07 0.00 0.00 179.97 179.69 1ot3 n ASN 121 N -4.72 0.65 0.00 7.04 6.94 -0.47 -4.92 115.26 119.79 1ot3 n ASN 121 Ca 0.08 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 1ot3 n ASN 121 Cb 0.14 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1ot3 n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ot3 n GLY 122 N 0.91 1.82 0.36 4.83 0.00 -0.78 -4.92 105.19 107.42 1ot3 n GLY 122 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1ot3 n GLY 122 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ot3 h SER 123 N 0.00 0.87 -3.62 1.61 0.02 -1.16 -3.38 113.55 107.89 1ot3 h SER 123 Ca 0.00 0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 60.30 1ot3 h SER 123 Cb 0.00 -0.18 -0.24 0.00 0.14 0.00 0.00 62.40 62.13 1ot3 h SER 123 CO 0.00 0.55 -0.61 -0.76 -1.14 0.00 0.00 176.83 174.87 1ot3 s LEU 124 N -9.97 3.66 0.84 5.07 1.43 0.69 -3.95 118.68 116.45 1ot3 s LEU 124 Ca -0.11 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 1ot3 s LEU 124 Cb 0.20 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.59 1ot3 s LEU 124 CO 0.80 -0.11 1.10 -1.61 0.23 0.00 0.00 176.35 176.76 1ot3 s GLU 125 N 1.58 1.74 0.16 1.70 2.02 -1.26 -4.55 118.70 120.09 1ot3 s GLU 125 Ca 0.05 0.66 -0.26 0.00 0.02 0.00 0.00 54.97 55.43 1ot3 s GLU 125 Cb -0.16 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.21 1ot3 s GLU 125 CO 0.04 -1.86 1.57 0.37 0.02 0.00 0.00 175.26 175.39 1ot3 h GLN 126 N -1.27 -0.27 -0.69 1.61 5.75 -1.97 -0.41 115.11 117.87 1ot3 h GLN 126 Ca -0.48 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.06 1ot3 h GLN 126 Cb 1.28 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.85 1ot3 h GLN 126 CO 0.58 -0.18 0.44 0.78 -2.65 0.00 0.00 178.83 177.80 1ot3 h GLY 127 N -0.28 0.98 0.91 2.39 0.00 -1.99 -0.66 103.07 104.42 1ot3 h GLY 127 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1ot3 h GLY 127 CO -0.62 0.30 0.10 -0.33 0.00 0.00 0.00 176.54 176.00 1ot3 h MET 128 N 0.88 0.34 -0.14 4.80 2.86 -1.81 -1.64 114.93 120.22 1ot3 h MET 128 Ca 0.27 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1ot3 h MET 128 Cb -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1ot3 h MET 128 CO -0.09 0.36 0.08 -0.92 1.06 0.00 0.00 176.91 177.41 1ot3 h TYR 129 N 0.23 0.18 -0.43 -0.22 3.20 -0.84 -2.42 116.97 116.67 1ot3 h TYR 129 Ca 0.08 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1ot3 h TYR 129 Cb 0.14 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 1ot3 h TYR 129 CO -0.02 0.16 0.06 -0.91 -1.64 0.00 0.00 178.16 175.81 1ot3 h ASN 130 N 0.15 -0.05 -0.48 -2.11 2.35 -1.02 0.17 115.58 114.58 1ot3 h ASN 130 Ca 0.05 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.97 1ot3 h ASN 130 Cb 0.03 0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.44 1ot3 h ASN 130 CO -0.01 0.01 -0.00 0.74 -1.65 0.00 0.00 177.43 176.52 1ot3 h THR 131 N 0.18 0.62 -0.45 2.81 2.02 -1.06 0.20 112.91 117.22 1ot3 h THR 131 Ca 0.21 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 1ot3 h THR 131 Cb 0.28 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1ot3 h THR 131 CO -0.30 0.02 0.26 -0.07 0.37 0.00 0.00 175.52 175.80 1ot3 h LEU 132 N 0.11 0.56 -0.71 2.58 3.38 -0.81 -2.13 115.31 118.29 1ot3 h LEU 132 Ca 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1ot3 h LEU 132 Cb 0.36 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1ot3 h LEU 132 CO -0.40 0.47 0.42 -0.33 0.09 0.00 0.00 178.44 178.69 1ot3 h GLU 133 N 0.60 0.97 -0.68 1.13 4.39 -0.01 -0.93 114.58 120.05 1ot3 h GLU 133 Ca 0.16 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1ot3 h GLU 133 Cb 0.03 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 1ot3 h GLU 133 CO -0.03 0.70 0.44 0.93 -1.16 0.00 0.00 179.01 179.89 1ot3 h GLU 134 N 0.97 0.86 -0.75 2.33 4.39 -0.41 0.61 114.58 122.58 1ot3 h GLU 134 Ca 0.25 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1ot3 h GLU 134 Cb -0.02 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.40 1ot3 h GLU 134 CO -0.05 0.57 0.46 -1.49 -1.16 0.00 0.00 179.01 177.34 1ot3 h TRP 135 N 0.89 0.99 -0.31 4.33 4.06 -0.84 -1.82 115.95 123.25 1ot3 h TRP 135 Ca 0.26 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.19 1ot3 h TRP 135 Cb -0.06 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.76 1ot3 h TRP 135 CO -0.03 0.66 0.12 1.88 -3.56 0.00 0.00 178.44 177.51 1ot3 h TYR 136 N 1.03 0.47 -0.46 0.49 0.99 -0.33 -1.33 116.97 117.83 1ot3 h TYR 136 Ca 0.27 -0.04 0.05 0.00 2.00 0.00 0.00 58.73 61.01 1ot3 h TYR 136 Cb -0.04 -0.14 -0.04 0.00 1.00 0.00 0.00 36.73 37.50 1ot3 h TYR 136 CO -0.01 0.45 0.21 0.87 -0.00 0.00 0.00 178.16 179.68 1ot3 h LYS 137 N 0.34 0.40 -0.26 4.88 1.57 -0.64 -1.31 116.57 121.56 1ot3 h LYS 137 Ca 0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1ot3 h LYS 137 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1ot3 h LYS 137 CO -0.01 0.26 0.14 0.35 -0.57 0.00 0.00 179.45 179.62 1ot3 h PHE 138 N 0.41 0.35 -0.24 -1.35 3.57 -1.22 -2.98 116.94 115.48 1ot3 h PHE 138 Ca 0.21 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1ot3 h PHE 138 Cb 0.15 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1ot3 h PHE 138 CO -0.12 0.31 -0.09 0.82 -2.23 0.00 0.00 178.31 177.00 1ot3 h ILE 139 N 0.30 0.70 0.00 1.41 2.04 -0.71 -0.92 117.51 120.34 1ot3 h ILE 139 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1ot3 h ILE 139 Cb 0.07 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1ot3 h ILE 139 CO -0.01 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.30 1ot3 n GLU 140 N -5.25 0.48 -0.00 2.37 0.28 -0.54 -0.48 120.64 117.50 1ot3 n GLU 140 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1ot3 n GLU 140 Cb 0.17 -1.31 -0.01 0.00 1.43 0.00 0.00 31.44 31.72 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 -0.81 1.75 0.00 3.44 1.02 -0.46 -4.70 120.64 120.87 1ot3 n GLU 141 Ca 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1ot3 n GLU 141 Cb 0.03 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1ot3 n GLU 141 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ot3 n SER 142 N -1.41 1.26 -3.79 1.62 7.64 -0.53 -4.99 113.62 113.43 1ot3 n SER 142 Ca -0.00 -1.59 -0.13 0.00 1.01 0.00 0.00 58.87 58.16 1ot3 n SER 142 Cb 0.03 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.59 -0.00 -0.25 0.44 1.01 0.37 -3.39 121.20 118.78 1ot3 s ILE 143 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 1ot3 s ILE 143 Cb 0.00 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 1ot3 s ILE 143 CO 0.00 0.01 0.46 -2.28 0.00 0.00 0.00 174.94 173.12 1ot3 s HIS 144 N 0.23 3.28 -0.40 3.97 5.65 -1.24 -4.53 115.29 122.27 1ot3 s HIS 144 Ca -0.01 0.58 -0.05 0.00 0.25 0.00 0.00 55.06 55.82 1ot3 s HIS 144 Cb -0.02 -2.64 0.09 0.00 -1.18 0.00 0.00 32.58 28.82 1ot3 s HIS 144 CO -0.01 -0.21 0.20 0.08 -0.65 0.00 0.00 174.74 174.15 1ot3 s VAL 145 N 2.03 3.65 -0.32 0.89 1.01 -1.26 -4.79 120.40 121.62 1ot3 s VAL 145 Ca 0.19 -1.66 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 1ot3 s VAL 145 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1ot3 s VAL 145 CO 0.09 -0.52 1.62 -1.58 0.00 0.00 0.00 175.10 174.72 1ot3 s GLN 146 N 1.28 3.55 -0.38 2.72 2.00 -1.26 -4.93 119.66 122.64 1ot3 s GLN 146 Ca 0.04 1.36 0.02 0.00 -2.00 0.00 0.00 55.36 54.77 1ot3 s GLN 146 Cb -0.22 -4.09 0.16 0.00 0.80 0.00 0.00 33.01 29.65 1ot3 s GLN 146 CO -0.01 -1.59 0.29 0.00 -0.50 0.00 0.00 175.29 173.48 1ot3 s ALA 147 N 5.92 1.05 -0.05 1.58 0.00 -1.26 -4.70 121.76 124.31 1ot3 s ALA 147 Ca 0.72 -2.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.58 1ot3 s ALA 147 Cb -0.21 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1ot3 s ALA 147 CO 0.32 -2.04 -0.01 -0.44 0.00 0.00 0.00 175.76 173.59 1ot3 h ASP 148 N 6.31 0.00 -3.45 0.00 3.32 -1.81 -3.44 116.42 117.36 1ot3 h ASP 148 Ca 0.16 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.55 1ot3 h ASP 148 Cb 0.95 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 1ot3 h ASP 148 CO 0.31 0.23 -0.68 -0.22 -1.72 0.00 0.00 179.24 177.16 1ot3 s LEU 149 N -6.02 3.35 -0.14 1.55 2.96 -0.74 -3.64 118.68 116.00 1ot3 s LEU 149 Ca -0.01 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1ot3 s LEU 149 Cb 0.00 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.71 1ot3 s LEU 149 CO 0.01 0.23 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.53 1ot3 s ILE 150 N -1.16 1.32 -0.51 6.68 1.01 0.57 -0.74 121.20 128.37 1ot3 s ILE 150 Ca 0.21 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1ot3 s ILE 150 Cb -0.11 -1.32 0.09 0.00 0.01 0.00 0.00 42.46 41.12 1ot3 s ILE 150 CO 0.13 0.35 0.48 -0.63 0.00 0.00 0.00 174.94 175.27 1ot3 s ILE 151 N 1.58 5.15 -0.29 2.92 1.01 0.86 -0.06 121.20 132.36 1ot3 s ILE 151 Ca 0.04 -1.11 -0.21 0.00 0.00 0.00 0.00 60.65 59.36 1ot3 s ILE 151 Cb -0.13 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 1ot3 s ILE 151 CO -0.09 -0.73 0.69 -0.47 0.00 0.00 0.00 174.94 174.33 1ot3 s TYR 152 N 1.83 3.22 -1.18 3.97 5.04 -0.94 -0.87 117.35 128.42 1ot3 s TYR 152 Ca 0.06 0.71 -0.13 0.00 -2.44 0.00 0.00 57.07 55.27 1ot3 s TYR 152 Cb -0.25 -3.04 0.19 0.00 0.35 0.00 0.00 41.96 39.21 1ot3 s TYR 152 CO 0.06 -0.48 1.36 -0.51 -1.34 0.00 0.00 175.55 174.65 1ot3 s LEU 153 N 2.71 5.31 0.24 6.97 1.43 0.10 -1.04 118.68 134.40 1ot3 s LEU 153 Ca 0.28 -3.09 -0.30 0.00 -1.03 0.00 0.00 54.13 49.98 1ot3 s LEU 153 Cb -0.15 -2.36 -0.11 0.00 0.03 0.00 0.00 46.19 43.60 1ot3 s LEU 153 CO 0.11 -0.66 1.54 -0.60 0.23 0.00 0.00 176.35 176.97 1ot3 s ARG 154 N 1.05 4.19 0.00 1.70 3.52 -0.97 -4.48 118.95 123.96 1ot3 s ARG 154 Ca 0.40 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.43 1ot3 s ARG 154 Cb -0.04 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 1ot3 s ARG 154 CO -0.02 -0.56 0.00 0.25 -0.81 0.00 0.00 175.30 174.16 1ot3 n THR 155 N 2.77 0.00 -5.05 4.11 -2.24 -1.26 -2.10 114.28 110.51 1ot3 n THR 155 Ca 0.10 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.55 1ot3 n THR 155 Cb 0.38 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.87 3.60 0.30 3.42 0.15 -1.26 -5.01 113.70 114.02 1ot3 s SER 156 Ca 0.00 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.35 1ot3 s SER 156 Cb 0.00 -0.89 0.77 0.00 -1.71 0.00 0.00 66.02 64.19 1ot3 s SER 156 CO 0.00 0.28 1.70 -0.65 1.20 0.00 0.00 173.24 175.77 1ot3 h PRO 157 N 5.80 0.41 0.30 5.44 0.11 -1.97 0.20 132.00 142.30 1ot3 h PRO 157 Ca -0.38 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 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 0.50 0.27 -0.15 0.93 -0.21 0.00 0.00 178.00 179.34 1ot3 h GLU 158 N 0.42 -0.39 -0.28 1.05 3.07 -1.95 0.46 114.58 116.97 1ot3 h GLU 158 Ca 0.58 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.51 1ot3 h GLU 158 Cb 1.12 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.08 1ot3 h GLU 158 CO -0.53 -0.11 0.02 0.28 -1.40 0.00 0.00 179.01 177.27 1ot3 h VAL 159 N -0.66 0.82 -0.51 3.13 2.07 -1.73 -0.70 116.25 118.66 1ot3 h VAL 159 Ca -0.04 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1ot3 h VAL 159 Cb 0.46 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ot3 h VAL 159 CO 0.07 0.02 0.30 0.00 0.02 0.00 0.00 177.57 177.97 1ot3 h ALA 160 N 1.23 0.65 -0.69 1.67 0.00 -0.62 -0.78 119.26 120.72 1ot3 h ALA 160 Ca 0.13 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ot3 h ALA 160 Cb 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ot3 h ALA 160 CO -0.21 -0.01 0.45 -0.92 0.00 0.00 0.00 179.25 178.56 1ot3 h TYR 161 N 0.59 0.72 0.09 0.00 3.20 -0.10 -2.40 116.97 119.07 1ot3 h TYR 161 Ca 0.21 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ot3 h TYR 161 Cb 0.04 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1ot3 h TYR 161 CO -0.07 0.39 -0.04 0.93 -1.64 0.00 0.00 178.16 177.73 1ot3 h GLU 162 N 0.72 -0.11 -0.56 1.82 5.08 -0.14 -2.74 114.58 118.65 1ot3 h GLU 162 Ca 0.29 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.82 1ot3 h GLU 162 Cb 0.23 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1ot3 h GLU 162 CO -0.09 0.38 0.44 -0.09 -1.00 0.00 0.00 179.01 178.65 1ot3 h ARG 163 N -0.68 0.00 0.02 2.33 2.43 -0.92 -0.07 114.38 117.50 1ot3 h ARG 163 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ot3 h ARG 163 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1ot3 h ARG 163 CO 0.02 0.00 -0.01 0.82 -1.51 0.00 0.00 179.97 179.29 1ot3 h ILE 164 N 0.00 1.47 -0.37 1.20 2.04 -1.42 -3.04 117.51 117.40 1ot3 h ILE 164 Ca 0.27 -1.66 0.06 0.00 1.00 0.00 0.00 64.86 64.52 1ot3 h ILE 164 Cb 1.15 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.78 1ot3 h ILE 164 CO -0.00 0.42 0.25 0.03 0.00 0.00 0.00 178.15 178.85 1ot3 h ARG 165 N -0.77 0.24 0.59 2.37 -0.00 -0.89 -3.08 114.38 112.83 1ot3 h ARG 165 Ca -0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.43 1ot3 h ARG 165 Cb 0.71 -0.05 0.01 0.00 0.00 0.00 0.00 29.97 30.63 1ot3 h ARG 165 CO 0.00 0.16 -0.28 1.96 0.00 0.00 0.00 179.97 181.81 1ot3 h GLN 166 N 0.25 -0.76 -6.67 0.04 1.08 -1.09 -3.46 115.11 104.50 1ot3 h GLN 166 Ca 0.16 0.05 -0.49 0.00 -1.45 0.00 0.00 58.65 56.92 1ot3 h GLN 166 Cb 0.33 0.17 0.23 0.00 -0.05 0.00 0.00 27.48 28.17 1ot3 h GLN 166 CO -0.03 -0.51 -0.96 0.54 -0.95 0.00 0.00 178.83 176.93 1ot3 n ARG 167 N -4.79 -0.94 -1.34 1.46 1.74 -1.15 -4.80 116.66 106.85 1ot3 n ARG 167 Ca -0.10 -0.25 -0.24 0.00 -0.77 0.00 0.00 57.85 56.50 1ot3 n ARG 167 Cb 0.31 -1.72 -0.09 0.00 -1.02 0.00 0.00 32.46 29.94 1ot3 n ARG 167 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ot3 n ALA 168 N -3.97 6.59 -0.70 7.54 0.00 -1.26 -4.96 120.51 123.73 1ot3 n ALA 168 Ca 0.03 -2.74 -0.32 0.00 0.00 0.00 0.00 53.44 50.41 1ot3 n ALA 168 Cb 0.59 -2.41 0.16 0.00 0.00 0.00 0.00 19.45 17.78 1ot3 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot3 n ARG 169 N 1.89 -1.19 0.00 0.00 5.12 -1.26 -5.03 116.66 116.18 1ot3 n ARG 169 Ca 0.51 -0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1ot3 n ARG 169 Cb 0.63 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1ot3 n ARG 169 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1ot3 n SER 170 N -1.76 0.00 0.02 0.55 7.64 -1.26 -4.84 113.62 113.96 1ot3 n SER 170 Ca 0.03 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 1ot3 n SER 170 Cb 0.59 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1ot3 n SER 170 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ot3 h GLU 171 N 0.00 -0.17 -0.20 1.43 3.07 -1.96 -3.02 114.58 113.73 1ot3 h GLU 171 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1ot3 h GLU 171 Cb 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1ot3 h GLU 171 CO 0.00 -0.12 0.00 -0.85 -1.40 0.00 0.00 179.01 176.64 1ot3 n GLU 172 N -5.27 1.61 -0.06 2.33 0.28 -1.26 -4.31 120.64 113.96 1ot3 n GLU 172 Ca -0.04 -0.94 -0.04 0.00 -0.16 0.00 0.00 57.16 55.98 1ot3 n GLU 172 Cb 0.19 -1.30 0.17 0.00 1.43 0.00 0.00 31.44 31.93 1ot3 n GLU 172 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1ot3 h SER 173 N 1.71 0.67 -1.19 -1.84 4.64 -1.85 -3.26 113.55 112.43 1ot3 h SER 173 Ca 0.00 -0.19 -0.55 0.00 -0.47 0.00 0.00 61.79 60.58 1ot3 h SER 173 Cb 0.38 -0.18 -0.18 0.00 -0.31 0.00 0.00 62.40 62.11 1ot3 h SER 173 CO 0.00 0.81 0.64 0.00 -0.87 0.00 0.00 176.83 177.41 1ot3 s VAL 175 N -2.50 4.47 0.59 0.00 -7.23 -1.23 -5.09 120.40 109.41 1ot3 s VAL 175 Ca 0.58 -0.14 -0.20 0.00 -1.81 0.00 0.00 61.98 60.41 1ot3 s VAL 175 Cb 0.37 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1ot3 s VAL 175 CO -0.23 0.43 1.30 -2.84 -0.31 0.00 0.00 175.10 173.44 1ot3 s PRO 176 N 0.77 2.91 0.41 4.82 0.02 -1.26 -4.90 135.00 137.77 1ot3 s PRO 176 Ca 0.03 2.07 0.10 0.00 0.02 0.00 0.00 61.00 63.21 1ot3 s PRO 176 Cb -0.14 -2.04 0.91 0.00 0.02 0.00 0.00 34.50 33.25 1ot3 s PRO 176 CO 0.02 -1.32 2.00 1.25 -0.33 0.00 0.00 177.00 178.62 1ot3 h LEU 177 N 1.03 0.47 -1.58 -5.54 5.85 -1.98 -1.09 115.31 112.47 1ot3 h LEU 177 Ca -0.51 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1ot3 h LEU 177 Cb 1.31 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1ot3 h LEU 177 CO 0.55 0.31 0.18 0.50 -0.34 0.00 0.00 178.44 179.64 1ot3 h LYS 178 N 0.53 0.46 -0.56 1.25 3.64 -1.99 -1.10 116.57 118.80 1ot3 h LYS 178 Ca 0.25 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1ot3 h LYS 178 Cb 0.29 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1ot3 h LYS 178 CO -0.07 0.35 0.18 -0.92 -2.27 0.00 0.00 179.45 176.72 1ot3 h TYR 179 N 0.46 0.89 0.00 1.91 3.20 -1.55 -1.21 116.97 120.68 1ot3 h TYR 179 Ca 0.12 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1ot3 h TYR 179 Cb 0.03 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1ot3 h TYR 179 CO 0.00 0.75 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.86 1ot3 h LEU 180 N 0.78 0.00 -0.07 2.82 3.38 -1.30 -1.79 115.31 119.13 1ot3 h LEU 180 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1ot3 h LEU 180 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ot3 h LEU 180 CO -0.01 0.34 -0.27 1.56 0.09 0.00 0.00 178.44 180.15 1ot3 h GLN 181 N 0.00 0.31 -0.66 1.13 4.20 -0.76 -1.08 115.11 118.25 1ot3 h GLN 181 Ca -0.00 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 1ot3 h GLN 181 Cb 0.82 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1ot3 h GLN 181 CO 0.04 0.87 0.13 0.93 -0.67 0.00 0.00 178.83 180.13 1ot3 h GLU 182 N -0.18 1.06 -0.44 1.46 5.08 -1.18 -1.94 114.58 118.44 1ot3 h GLU 182 Ca -0.01 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1ot3 h GLU 182 Cb 0.91 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1ot3 h GLU 182 CO 0.06 0.96 0.01 -0.07 -1.00 0.00 0.00 179.01 178.97 1ot3 h LEU 183 N 1.00 0.75 -0.34 1.33 3.38 -1.34 -2.74 115.31 117.35 1ot3 h LEU 183 Ca 0.20 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ot3 h LEU 183 Cb 0.40 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1ot3 h LEU 183 CO 0.01 0.86 0.09 -0.74 0.09 0.00 0.00 178.44 178.75 1ot3 h HIS 184 N 0.61 0.16 -0.98 1.13 2.76 -0.95 -1.99 115.15 115.89 1ot3 h HIS 184 Ca 0.13 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1ot3 h HIS 184 Cb 0.47 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.36 1ot3 h HIS 184 CO 0.04 0.05 0.65 0.93 -1.30 0.00 0.00 177.93 178.29 1ot3 h GLU 185 N 0.22 1.25 -0.40 5.26 4.39 -1.26 -1.64 114.58 122.40 1ot3 h GLU 185 Ca 0.16 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1ot3 h GLU 185 Cb 0.15 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1ot3 h GLU 185 CO -0.18 0.83 0.12 -0.07 -1.16 0.00 0.00 179.01 178.54 1ot3 h LEU 186 N 1.29 0.59 -1.24 1.33 3.38 -1.16 0.47 115.31 119.97 1ot3 h LEU 186 Ca 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ot3 h LEU 186 Cb -0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1ot3 h LEU 186 CO -0.10 0.64 0.25 0.45 0.09 0.00 0.00 178.44 179.77 1ot3 h HIS 187 N 0.50 0.77 0.42 1.13 3.86 -0.95 -1.38 115.15 119.49 1ot3 h HIS 187 Ca 0.13 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1ot3 h HIS 187 Cb 0.27 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1ot3 h HIS 187 CO 0.01 0.58 -0.20 0.93 0.86 0.00 0.00 177.93 180.11 1ot3 h GLU 188 N 0.77 -0.54 -0.71 2.45 4.39 -0.89 0.33 114.58 120.39 1ot3 h GLU 188 Ca 0.19 0.04 0.17 0.00 0.34 0.00 0.00 59.36 60.10 1ot3 h GLU 188 Cb 0.11 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1ot3 h GLU 188 CO -0.02 -0.24 0.49 -0.44 -1.16 0.00 0.00 179.01 177.64 1ot3 h ASP 189 N -0.83 0.20 0.00 1.42 3.32 -0.69 0.43 116.42 120.27 1ot3 h ASP 189 Ca -0.06 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.85 1ot3 h ASP 189 Cb 0.55 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1ot3 h ASP 189 CO 0.09 0.10 -0.87 -0.25 -1.72 0.00 0.00 179.24 176.59 1ot3 h TRP 190 N 0.21 0.00 0.00 4.55 7.01 -1.11 -3.31 115.95 123.30 1ot3 h TRP 190 Ca 0.35 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.35 1ot3 h TRP 190 Cb 1.06 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.12 1ot3 h TRP 190 CO -0.00 1.23 -0.62 1.28 -2.79 0.00 0.00 178.44 177.55 1ot3 n LEU 191 N -4.50 0.66 0.00 0.65 4.77 0.11 -4.34 117.00 114.36 1ot3 n LEU 191 Ca -0.24 0.20 -0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1ot3 n LEU 191 Cb 0.59 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ot3 n LEU 191 CO 0.21 -0.03 -0.01 -0.38 -1.33 0.00 0.00 177.39 175.85 1ot3 n ILE 192 N -2.03 0.05 -0.41 -0.08 2.08 0.14 -4.75 119.36 114.36 1ot3 n ILE 192 Ca 0.03 0.18 -0.01 0.00 0.56 0.00 0.00 62.75 63.52 1ot3 n ILE 192 Cb 0.43 -1.20 -0.01 0.00 -0.75 0.00 0.00 39.64 38.11 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 -2.55 0.00 -2.08 1.39 8.25 -0.62 -5.01 115.22 114.59 1ot3 n HIS 193 Ca -0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 1ot3 n HIS 193 Cb 0.01 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.62 1ot3 n HIS 193 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1ot3 n GLN 194 N 1.68 -5.72 0.00 -0.41 -0.06 -1.25 -4.83 117.38 106.79 1ot3 n GLN 194 Ca 0.02 4.05 0.00 0.00 -2.00 0.00 0.00 57.00 59.07 1ot3 n GLN 194 Cb 0.41 -4.39 0.00 0.00 -4.06 0.00 0.00 30.24 22.20 1ot3 n GLN 194 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ot3 s LYS 201 N 0.00 4.02 -0.16 0.00 -0.14 -1.24 -4.95 119.74 117.27 1ot3 s LYS 201 Ca 0.00 1.86 0.02 0.00 -1.36 0.00 0.00 55.97 56.49 1ot3 s LYS 201 Cb 0.00 -3.97 0.02 0.00 -1.68 0.00 0.00 37.83 32.20 1ot3 s LYS 201 CO 0.00 -1.02 -0.20 0.08 -0.76 0.00 0.00 175.35 173.45 1ot3 s VAL 202 N 4.47 1.97 -0.49 3.17 1.01 -1.26 -0.32 120.40 128.95 1ot3 s VAL 202 Ca 0.69 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1ot3 s VAL 202 Cb -0.28 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.46 1ot3 s VAL 202 CO 0.27 0.53 0.38 -0.22 0.00 0.00 0.00 175.10 176.06 1ot3 s LEU 203 N 1.11 5.80 0.13 3.92 2.96 0.91 -4.97 118.68 128.53 1ot3 s LEU 203 Ca -0.00 -1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 51.69 1ot3 s LEU 203 Cb -0.14 -2.05 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 1ot3 s LEU 203 CO -0.08 -0.72 1.08 -0.69 -1.32 0.00 0.00 176.35 174.62 1ot3 s VAL 204 N 1.37 4.11 -0.06 1.68 1.01 -1.26 -2.22 120.40 125.03 1ot3 s VAL 204 Ca 0.06 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1ot3 s VAL 204 Cb -0.27 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.02 1ot3 s VAL 204 CO -0.00 0.25 -0.14 -0.76 0.00 0.00 0.00 175.10 174.45 1ot3 s LEU 205 N 0.06 1.77 -0.93 3.92 1.43 -0.20 -4.95 118.68 119.77 1ot3 s LEU 205 Ca 0.51 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 1ot3 s LEU 205 Cb -0.27 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1ot3 s LEU 205 CO 0.32 0.08 1.87 -0.62 0.23 0.00 0.00 176.35 178.23 1ot3 s ASP 206 N 0.42 5.35 -0.35 2.29 3.68 -1.26 -2.29 116.67 124.51 1ot3 s ASP 206 Ca -0.11 -0.85 -0.05 0.00 2.13 0.00 0.00 52.55 53.67 1ot3 s ASP 206 Cb -0.14 -2.56 -0.17 0.00 -1.45 0.00 0.00 42.92 38.60 1ot3 s ASP 206 CO 0.03 -2.56 2.80 0.00 0.13 0.00 0.00 175.17 175.57 1ot3 n ALA 207 N 13.20 5.40 -0.70 3.66 0.00 -0.89 -5.00 120.51 136.18 1ot3 n ALA 207 Ca 0.39 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1ot3 n ALA 207 Cb 0.47 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1ot3 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25