#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofn s THR 2 N 0.00 3.47 0.16 2.03 -1.32 -1.26 -4.97 115.64 113.75 2ofn s THR 2 Ca 0.00 0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 2ofn s THR 2 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 2ofn s THR 2 CO 0.00 -0.61 0.00 0.41 -2.21 0.00 0.00 174.62 172.21 2ofn n THR 3 N -3.37 0.00 -4.49 5.08 -1.04 -1.26 -5.15 114.28 104.04 2ofn n THR 3 Ca 0.09 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.80 2ofn n THR 3 Cb 0.53 -0.09 -0.07 0.00 -1.82 0.00 0.00 70.33 68.88 2ofn n THR 3 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ofn s GLU 4 N -1.40 2.18 -0.66 -2.82 2.02 -1.26 -5.06 118.70 111.71 2ofn s GLU 4 Ca 0.00 -2.23 -0.27 0.00 0.02 0.00 0.00 54.97 52.49 2ofn s GLU 4 Cb 0.00 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.53 2ofn s GLU 4 CO 0.00 -0.35 1.48 -0.65 0.02 0.00 0.00 175.26 175.76 2ofn s GLN 5 N -3.95 3.06 -0.33 1.61 1.11 -1.26 -4.84 119.66 115.06 2ofn s GLN 5 Ca 0.19 0.18 0.01 0.00 0.01 0.00 0.00 55.36 55.74 2ofn s GLN 5 Cb 0.02 -4.23 0.34 0.00 -1.01 0.00 0.00 33.01 28.13 2ofn s GLN 5 CO 0.11 -2.26 1.78 -1.91 0.01 0.00 0.00 175.29 173.01 2ofn n GLU 6 N 9.15 1.87 -1.13 2.91 2.13 -1.26 -4.90 120.64 129.40 2ofn n GLU 6 Ca 0.10 -1.87 -0.02 0.00 0.66 0.00 0.00 57.16 56.04 2ofn n GLU 6 Cb 0.50 -1.73 0.01 0.00 0.27 0.00 0.00 31.44 30.48 2ofn n GLU 6 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2ofn n PHE 7 N -0.22 -2.98 -4.24 4.31 3.72 -1.26 -5.13 117.46 111.65 2ofn n PHE 7 Ca 0.36 -0.19 -0.22 0.00 -0.05 0.00 0.00 57.45 57.36 2ofn n PHE 7 Cb 0.91 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 39.28 2ofn n PHE 7 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2ofn s GLU 8 N -2.28 1.01 0.11 -1.08 2.12 -1.26 -5.05 118.70 112.26 2ofn s GLU 8 Ca 0.05 -1.08 -0.13 0.00 0.36 0.00 0.00 54.97 54.17 2ofn s GLU 8 Cb -0.00 -1.17 -0.06 0.00 0.26 0.00 0.00 34.13 33.15 2ofn s GLU 8 CO 0.04 0.27 0.50 0.15 -0.54 0.00 0.00 175.26 175.67 2ofn s LYS 9 N -1.85 3.92 -0.48 4.30 3.01 -1.26 -2.86 119.74 124.52 2ofn s LYS 9 Ca 0.03 0.40 -0.14 0.00 -1.01 0.00 0.00 55.97 55.25 2ofn s LYS 9 Cb -0.10 -2.99 0.09 0.00 -1.01 0.00 0.00 37.83 33.82 2ofn s LYS 9 CO 0.03 0.53 0.39 0.08 0.51 0.00 0.00 175.35 176.89 2ofn s VAL 10 N -1.40 5.03 -0.34 3.17 1.01 0.15 -4.97 120.40 123.05 2ofn s VAL 10 Ca 0.35 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 2ofn s VAL 10 Cb -0.15 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2ofn s VAL 10 CO 0.18 -0.64 0.19 -1.61 0.00 0.00 0.00 175.10 173.23 2ofn s GLU 11 N 1.59 3.20 -1.09 2.72 2.02 -1.26 -1.57 118.70 124.30 2ofn s GLU 11 Ca 0.04 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 2ofn s GLU 11 Cb -0.25 -3.67 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 2ofn s GLU 11 CO 0.05 -0.52 0.93 1.28 0.02 0.00 0.00 175.26 177.02 2ofn n LEU 12 N 5.02 -4.70 -4.67 1.80 4.77 -1.24 -4.96 117.00 113.02 2ofn n LEU 12 Ca -0.13 -0.64 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 2ofn n LEU 12 Cb 0.48 -3.08 0.05 0.00 -2.33 0.00 0.00 43.42 38.54 2ofn n LEU 12 CO 0.35 0.24 0.74 1.07 -1.33 0.00 0.00 177.39 178.47 2ofn n THR 13 N -3.63 4.00 0.94 -5.08 5.66 -1.25 -4.68 114.28 110.24 2ofn n THR 13 Ca -0.18 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.38 2ofn n THR 13 Cb 0.64 -1.36 0.39 0.00 -1.55 0.00 0.00 70.33 68.46 2ofn n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ofn n ALA 14 N -1.56 2.05 0.60 1.79 0.00 -1.26 -0.30 120.51 121.83 2ofn n ALA 14 Ca 0.13 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.52 2ofn n ALA 14 Cb 0.46 -1.21 0.14 0.00 0.00 0.00 0.00 19.45 18.84 2ofn n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ofn n ASP 15 N -0.93 2.27 0.00 0.00 2.03 -1.26 -4.74 116.55 113.91 2ofn n ASP 15 Ca 0.10 -2.22 0.00 0.00 0.52 0.00 0.00 54.79 53.19 2ofn n ASP 15 Cb 0.05 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 2ofn n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ofn n GLY 16 N 0.46 1.01 2.23 0.27 0.00 -1.08 -4.84 105.19 103.24 2ofn n GLY 16 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2ofn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ofn n GLY 17 N 0.00 -0.81 2.99 -0.02 0.00 0.58 -4.99 105.19 102.95 2ofn n GLY 17 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 2ofn n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ofn s VAL 18 N -2.72 0.48 -0.37 1.61 1.01 -1.26 -4.84 120.40 114.31 2ofn s VAL 18 Ca 0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 2ofn s VAL 18 Cb -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2ofn s VAL 18 CO 0.36 -0.01 0.75 -0.63 0.00 0.00 0.00 175.10 175.58 2ofn s ILE 19 N -0.47 4.76 -0.04 2.22 -1.09 -1.26 -3.59 121.20 121.73 2ofn s ILE 19 Ca -0.01 0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 59.19 2ofn s ILE 19 Cb -0.04 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.66 2ofn s ILE 19 CO -0.00 -0.42 0.09 -1.59 -1.23 0.00 0.00 174.94 171.79 2ofn s LYS 20 N 3.03 0.09 -0.25 2.79 -2.85 -0.61 -0.08 119.74 121.87 2ofn s LYS 20 Ca 0.30 0.15 -0.11 0.00 -1.00 0.00 0.00 55.97 55.31 2ofn s LYS 20 Cb -0.13 0.01 -0.05 0.00 -2.06 0.00 0.00 37.83 35.60 2ofn s LYS 20 CO 0.17 -0.04 0.17 0.99 0.10 0.00 0.00 175.35 176.74 2ofn s THR 21 N 0.21 5.34 0.06 3.79 2.01 0.16 0.30 115.64 127.52 2ofn s THR 21 Ca -0.01 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 2ofn s THR 21 Cb -0.02 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2ofn s THR 21 CO -0.01 0.32 0.95 -0.51 -0.69 0.00 0.00 174.62 174.69 2ofn s ILE 22 N 1.23 4.67 -0.08 1.82 1.10 -1.13 -0.47 121.20 128.33 2ofn s ILE 22 Ca 0.07 2.03 -0.05 0.00 -0.51 0.00 0.00 60.65 62.20 2ofn s ILE 22 Cb -0.14 -4.30 -0.04 0.00 0.15 0.00 0.00 42.46 38.13 2ofn s ILE 22 CO 0.06 0.26 -0.11 0.18 -2.11 0.00 0.00 174.94 173.22 2ofn n LEU 23 N 3.23 0.70 -3.87 8.50 7.99 -1.18 -4.49 117.00 127.88 2ofn n LEU 23 Ca 0.03 0.12 -0.27 0.00 -0.01 0.00 0.00 56.01 55.88 2ofn n LEU 23 Cb 0.50 -0.28 -0.17 0.00 -0.11 0.00 0.00 43.42 43.36 2ofn n LEU 23 CO 0.51 0.10 -0.42 -0.75 -1.51 0.00 0.00 177.39 175.32 2ofn s LYS 24 N -2.17 1.30 0.25 3.23 2.36 -0.84 -5.04 119.74 118.83 2ofn s LYS 24 Ca -0.12 -0.33 0.06 0.00 -2.55 0.00 0.00 55.97 53.03 2ofn s LYS 24 Cb 0.04 -1.72 -0.03 0.00 -1.05 0.00 0.00 37.83 35.07 2ofn s LYS 24 CO 0.15 -0.37 0.32 0.15 1.55 0.00 0.00 175.35 177.15 2ofn s LYS 25 N 1.72 3.24 0.00 4.03 1.02 -1.26 -0.64 119.74 127.85 2ofn s LYS 25 Ca 0.03 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.13 2ofn s LYS 25 Cb -0.14 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2ofn s LYS 25 CO -0.08 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 2ofn n GLY 26 N -1.36 2.30 0.58 -3.33 0.00 -1.19 -4.80 105.19 97.38 2ofn n GLY 26 Ca -0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2ofn n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ofn n ASP 27 N 0.00 0.00 -4.44 1.61 9.92 -1.26 -5.05 116.55 117.33 2ofn n ASP 27 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 2ofn n ASP 27 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 2ofn n ASP 27 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2ofn n GLU 28 N -1.60 0.85 0.00 -1.24 0.00 -1.26 -5.07 120.64 112.32 2ofn n GLU 28 Ca 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 57.16 53.96 2ofn n GLU 28 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 31.44 32.09 2ofn n GLU 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ofn n GLY 29 N -0.60 -0.42 0.35 -1.84 0.00 -1.26 -4.88 105.19 96.55 2ofn n GLY 29 Ca -0.12 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 2ofn n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ofn h GLU 30 N 0.00 1.22 -0.39 1.61 4.81 -2.04 -2.40 114.58 117.38 2ofn h GLU 30 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2ofn h GLU 30 Cb 0.00 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.12 2ofn h GLU 30 CO 0.00 0.85 0.00 -0.85 -0.73 0.00 0.00 179.01 178.28 2ofn n GLU 31 N -4.40 2.71 -3.56 1.92 0.00 -1.26 -4.74 120.64 111.31 2ofn n GLU 31 Ca 0.10 -2.11 -0.35 0.00 0.00 0.00 0.00 57.16 54.81 2ofn n GLU 31 Cb 0.05 -1.32 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 2ofn n GLU 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2ofn n ASN 32 N 0.73 4.28 -3.84 -1.84 5.03 -0.90 -4.87 115.26 113.85 2ofn n ASN 32 Ca 0.14 -3.22 -0.24 0.00 0.87 0.00 0.00 54.58 52.12 2ofn n ASN 32 Cb 0.45 -0.99 -0.17 0.00 -1.02 0.00 0.00 39.78 38.05 2ofn n ASN 32 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2ofn s ILE 33 N -1.73 0.67 -0.33 2.41 -1.09 -1.26 -4.27 121.20 115.59 2ofn s ILE 33 Ca 0.30 -0.07 -0.23 0.00 -2.23 0.00 0.00 60.65 58.42 2ofn s ILE 33 Cb -0.02 -0.75 0.00 0.00 -1.58 0.00 0.00 42.46 40.11 2ofn s ILE 33 CO -0.09 0.30 0.78 -2.16 -1.23 0.00 0.00 174.94 172.55 2ofn s PRO 34 N 1.78 3.87 0.15 2.79 0.04 -1.26 -4.53 135.00 137.84 2ofn s PRO 34 Ca 0.04 0.45 0.06 0.00 0.04 0.00 0.00 61.00 61.59 2ofn s PRO 34 Cb -0.13 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2ofn s PRO 34 CO -0.06 -0.76 -0.12 0.15 0.04 0.00 0.00 177.00 176.25 2ofn s LYS 35 N 3.02 1.10 0.60 4.56 -0.14 -1.26 -4.27 119.74 123.35 2ofn s LYS 35 Ca 0.32 -1.41 -0.19 0.00 -1.36 0.00 0.00 55.97 53.33 2ofn s LYS 35 Cb -0.14 -0.81 -0.03 0.00 -1.68 0.00 0.00 37.83 35.17 2ofn s LYS 35 CO 0.15 0.13 1.20 0.21 -0.76 0.00 0.00 175.35 176.28 2ofn s LYS 36 N -3.38 2.96 0.00 1.68 2.20 -1.26 -3.03 119.74 118.91 2ofn s LYS 36 Ca 0.15 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 2ofn s LYS 36 Cb -0.01 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 2ofn s LYS 36 CO 0.03 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 2ofn n GLY 37 N 0.47 1.16 3.82 5.54 0.00 -1.26 -5.04 105.19 109.87 2ofn n GLY 37 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2ofn n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ofn s ASN 38 N -2.23 5.61 -0.59 1.61 0.01 -1.17 -5.07 114.94 113.11 2ofn s ASN 38 Ca 0.00 -0.11 -0.25 0.00 -0.71 0.00 0.00 52.86 51.79 2ofn s ASN 38 Cb 0.00 -1.49 0.04 0.00 0.41 0.00 0.00 41.25 40.21 2ofn s ASN 38 CO 0.00 0.05 1.01 -1.61 -1.51 0.00 0.00 177.10 175.04 2ofn s GLU 39 N -3.23 3.30 0.30 -0.60 2.02 -1.26 -4.47 118.70 114.76 2ofn s GLU 39 Ca 0.32 -0.30 0.10 0.00 0.02 0.00 0.00 54.97 55.11 2ofn s GLU 39 Cb -0.10 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 2ofn s GLU 39 CO 0.24 -1.63 -0.10 0.14 0.02 0.00 0.00 175.26 173.93 2ofn s VAL 40 N 4.26 2.61 -0.08 2.63 -7.23 -1.26 -3.92 120.40 117.41 2ofn s VAL 40 Ca 0.31 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2ofn s VAL 40 Cb -0.12 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.28 2ofn s VAL 40 CO 0.18 -0.31 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.74 2ofn s THR 41 N -2.50 0.60 0.07 5.32 2.01 0.19 -4.22 115.64 117.11 2ofn s THR 41 Ca 0.32 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.34 2ofn s THR 41 Cb -0.03 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2ofn s THR 41 CO 0.17 0.29 -0.16 0.68 -0.69 0.00 0.00 174.62 174.91 2ofn s VAL 42 N 1.79 1.31 -0.05 3.82 -7.23 -1.26 -2.86 120.40 115.92 2ofn s VAL 42 Ca 0.03 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.87 2ofn s VAL 42 Cb -0.13 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2ofn s VAL 42 CO -0.06 -0.11 0.14 -1.00 -0.31 0.00 0.00 175.10 173.77 2ofn s HIS 43 N -1.13 3.49 -0.03 2.82 3.76 -0.83 -4.00 115.29 119.37 2ofn s HIS 43 Ca 0.02 0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 55.27 2ofn s HIS 43 Cb -0.09 -1.84 0.02 0.00 1.11 0.00 0.00 32.58 31.77 2ofn s HIS 43 CO 0.03 0.65 0.08 1.52 -0.85 0.00 0.00 174.74 176.16 2ofn s TYR 44 N -1.19 -0.08 -0.01 1.40 1.13 -1.24 -1.24 117.35 116.13 2ofn s TYR 44 Ca 0.22 0.23 -0.29 0.00 -1.41 0.00 0.00 57.07 55.82 2ofn s TYR 44 Cb -0.12 -0.03 0.10 0.00 -1.10 0.00 0.00 41.96 40.81 2ofn s TYR 44 CO 0.13 -0.07 0.90 0.54 -2.51 0.00 0.00 175.55 174.54 2ofn s VAL 45 N 0.36 0.00 0.00 -3.49 0.11 -1.19 -4.58 120.40 111.62 2ofn s VAL 45 Ca -0.03 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 2ofn s VAL 45 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2ofn s VAL 45 CO -0.01 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 2ofn n GLY 46 N -0.24 -0.22 3.53 6.54 0.00 -1.26 -0.20 105.19 113.35 2ofn n GLY 46 Ca -0.08 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 2ofn n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ofn s LYS 47 N 0.00 1.56 -0.72 1.61 -2.85 -1.18 -2.67 119.74 115.49 2ofn s LYS 47 Ca 0.00 -1.37 -0.22 0.00 -1.00 0.00 0.00 55.97 53.38 2ofn s LYS 47 Cb 0.00 0.44 0.08 0.00 -2.06 0.00 0.00 37.83 36.29 2ofn s LYS 47 CO 0.00 -0.64 1.04 -1.17 0.10 0.00 0.00 175.35 174.68 2ofn s LEU 48 N -3.07 4.34 0.39 2.77 2.96 0.87 -3.33 118.68 123.62 2ofn s LEU 48 Ca 0.26 -1.13 0.09 0.00 -0.22 0.00 0.00 54.13 53.12 2ofn s LEU 48 Cb 0.00 -2.43 0.85 0.00 0.50 0.00 0.00 46.19 45.11 2ofn s LEU 48 CO 0.11 -1.42 1.98 -0.08 -1.32 0.00 0.00 176.35 175.62 2ofn h GLU 49 N 9.51 0.59 -0.00 1.98 4.57 -1.81 0.84 114.58 130.26 2ofn h GLU 49 Ca -0.20 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2ofn h GLU 49 Cb 1.06 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2ofn h GLU 49 CO 1.19 0.39 0.09 1.03 -1.18 0.00 0.00 179.01 180.53 2ofn h SER 50 N 0.61 0.00 0.00 1.04 0.87 -1.67 -3.20 113.55 111.20 2ofn h SER 50 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2ofn h SER 50 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2ofn h SER 50 CO -0.08 0.00 -0.30 1.07 -0.53 0.00 0.00 176.83 176.99 2ofn n THR 51 N -3.04 0.00 0.00 2.23 5.66 -0.85 -5.05 114.28 113.23 2ofn n THR 51 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2ofn n THR 51 Cb 0.15 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 2ofn n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ofn n GLY 52 N 1.31 1.09 3.68 1.09 0.00 0.29 -5.08 105.19 107.58 2ofn n GLY 52 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ofn n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ofn s LYS 53 N -0.37 4.39 0.57 1.61 -0.14 -1.16 -4.82 119.74 119.82 2ofn s LYS 53 Ca 0.00 1.27 -0.16 0.00 -1.36 0.00 0.00 55.97 55.72 2ofn s LYS 53 Cb 0.00 -3.54 -0.05 0.00 -1.68 0.00 0.00 37.83 32.56 2ofn s LYS 53 CO 0.00 -0.29 1.03 0.54 -0.76 0.00 0.00 175.35 175.87 2ofn s VAL 54 N 1.96 4.07 -0.68 3.17 0.11 -1.26 -0.09 120.40 127.68 2ofn s VAL 54 Ca 0.45 0.96 -0.27 0.00 -2.93 0.00 0.00 61.98 60.20 2ofn s VAL 54 Cb -0.18 -3.50 0.01 0.00 -1.53 0.00 0.00 36.38 31.17 2ofn s VAL 54 CO 0.17 -0.60 1.55 -0.36 -3.33 0.00 0.00 175.10 172.54 2ofn s PHE 55 N -2.55 1.99 -0.65 1.54 0.08 -1.09 -4.86 117.98 112.43 2ofn s PHE 55 Ca 0.62 0.34 0.02 0.00 0.12 0.00 0.00 56.93 58.03 2ofn s PHE 55 Cb -0.14 -4.38 0.16 0.00 -0.57 0.00 0.00 43.02 38.10 2ofn s PHE 55 CO 0.36 -2.19 0.45 0.34 -0.10 0.00 0.00 175.22 174.08 2ofn s ASP 56 N 5.80 4.92 0.09 1.36 2.15 -1.26 -4.50 116.67 125.22 2ofn s ASP 56 Ca 0.50 -3.33 0.02 0.00 0.43 0.00 0.00 52.55 50.18 2ofn s ASP 56 Cb -0.10 -1.73 -0.04 0.00 -0.30 0.00 0.00 42.92 40.75 2ofn s ASP 56 CO 0.18 -0.21 -0.07 -0.55 -0.17 0.00 0.00 175.17 174.34 2ofn s SER 57 N -0.38 1.16 0.29 -0.34 0.15 -1.26 -4.95 113.70 108.37 2ofn s SER 57 Ca 0.21 -0.92 0.04 0.00 0.70 0.00 0.00 55.95 55.98 2ofn s SER 57 Cb -0.16 0.07 0.74 0.00 -1.71 0.00 0.00 66.02 64.96 2ofn s SER 57 CO -0.07 -0.40 1.71 0.28 1.20 0.00 0.00 173.24 175.96 2ofn h SER 58 N 3.24 0.43 0.00 5.45 0.02 -1.98 0.90 113.55 121.61 2ofn h SER 58 Ca -0.36 0.14 -0.31 0.00 -0.84 0.00 0.00 61.79 60.43 2ofn h SER 58 Cb 1.17 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 2ofn h SER 58 CO 0.60 0.05 -1.71 0.49 -1.14 0.00 0.00 176.83 175.12 2ofn n PHE 59 N -4.99 0.61 -0.30 3.45 3.72 -1.26 -4.26 117.46 114.44 2ofn n PHE 59 Ca 0.22 0.27 0.14 0.00 -0.05 0.00 0.00 57.45 58.03 2ofn n PHE 59 Cb 0.64 -1.04 0.38 0.00 -0.94 0.00 0.00 39.48 38.52 2ofn n PHE 59 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2ofn h ASP 60 N -1.00 0.67 0.38 4.37 5.19 -1.72 0.16 116.42 124.47 2ofn h ASP 60 Ca -0.46 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2ofn h ASP 60 Cb 1.38 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2ofn h ASP 60 CO -0.28 0.29 -0.11 -2.11 -3.12 0.00 0.00 179.24 173.91 2ofn n ARG 61 N -4.62 0.66 0.02 3.56 1.85 0.29 -4.34 116.66 114.07 2ofn n ARG 61 Ca 0.20 -0.22 -0.02 0.00 -1.00 0.00 0.00 57.85 56.81 2ofn n ARG 61 Cb 0.55 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.46 2ofn n ARG 61 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2ofn n ASN 62 N -0.97 1.12 -3.60 2.89 4.05 0.00 -5.02 115.26 113.73 2ofn n ASN 62 Ca 0.14 0.16 -0.26 0.00 0.45 0.00 0.00 54.58 55.07 2ofn n ASN 62 Cb 0.28 -0.38 -0.17 0.00 1.23 0.00 0.00 39.78 40.74 2ofn n ASN 62 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2ofn s VAL 63 N -2.03 -0.10 0.85 3.44 1.01 0.35 -5.12 120.40 118.80 2ofn s VAL 63 Ca -0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2ofn s VAL 63 Cb 0.01 -0.59 0.11 0.00 0.00 0.00 0.00 36.38 35.90 2ofn s VAL 63 CO 0.08 -0.29 1.11 -2.84 0.00 0.00 0.00 175.10 173.15 2ofn s PRO 64 N 2.15 1.58 0.25 2.72 0.02 -1.26 -4.45 135.00 136.00 2ofn s PRO 64 Ca 0.02 1.22 -0.04 0.00 0.02 0.00 0.00 61.00 62.23 2ofn s PRO 64 Cb -0.16 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 2ofn s PRO 64 CO -0.10 -2.14 0.48 0.12 -0.33 0.00 0.00 177.00 175.04 2ofn s PHE 65 N -2.81 3.48 0.06 6.54 5.36 -1.26 -5.01 117.98 124.33 2ofn s PHE 65 Ca 0.64 0.54 0.03 0.00 -0.96 0.00 0.00 56.93 57.17 2ofn s PHE 65 Cb -0.19 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 2ofn s PHE 65 CO 0.57 0.27 -0.09 -1.59 -1.46 0.00 0.00 175.22 172.91 2ofn s LYS 66 N -3.38 0.64 0.08 10.12 0.00 -1.26 -4.01 119.74 121.93 2ofn s LYS 66 Ca 0.42 -0.88 0.01 0.00 0.00 0.00 0.00 55.97 55.52 2ofn s LYS 66 Cb -0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 37.83 37.28 2ofn s LYS 66 CO 0.29 0.08 0.03 1.97 0.00 0.00 0.00 175.35 177.71 2ofn n PHE 67 N 1.24 0.04 -4.37 1.78 1.16 -1.26 -5.00 117.46 111.06 2ofn n PHE 67 Ca -0.21 -0.51 -0.30 0.00 -1.87 0.00 0.00 57.45 54.57 2ofn n PHE 67 Cb 0.55 -0.01 -0.12 0.00 -1.61 0.00 0.00 39.48 38.30 2ofn n PHE 67 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 2ofn s HIS 68 N -1.79 2.51 -0.25 2.97 3.76 -1.26 -4.05 115.29 117.18 2ofn s HIS 68 Ca 0.04 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 2ofn s HIS 68 Cb 0.00 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 2ofn s HIS 68 CO 0.03 0.36 1.75 -1.17 -0.85 0.00 0.00 174.74 174.85 2ofn s LEU 69 N -2.02 3.74 -0.65 0.89 2.96 -1.26 -3.84 118.68 118.50 2ofn s LEU 69 Ca 0.17 1.57 -0.06 0.00 -0.22 0.00 0.00 54.13 55.59 2ofn s LEU 69 Cb -0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.07 2ofn s LEU 69 CO 0.09 -1.47 0.66 1.21 -1.32 0.00 0.00 176.35 175.52 2ofn n GLU 70 N 8.04 -1.66 -0.29 1.98 0.00 -1.26 -4.37 120.64 123.08 2ofn n GLU 70 Ca 0.21 1.58 0.08 0.00 0.00 0.00 0.00 57.16 59.03 2ofn n GLU 70 Cb 0.46 -5.20 0.20 0.00 0.00 0.00 0.00 31.44 26.89 2ofn n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ofn n GLN 71 N -1.40 2.59 0.00 5.31 0.00 -1.25 -4.84 117.38 117.79 2ofn n GLN 71 Ca -0.01 -2.55 0.00 0.00 0.00 0.00 0.00 57.00 54.44 2ofn n GLN 71 Cb 0.52 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.15 2ofn n GLN 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ofn n GLY 72 N -0.51 2.90 0.04 2.61 0.00 -1.26 -4.90 105.19 104.07 2ofn n GLY 72 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2ofn n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ofn n GLU 73 N -2.00 0.28 -4.17 1.61 -0.58 -1.26 -4.75 120.64 109.77 2ofn n GLU 73 Ca 0.00 0.02 -0.34 0.00 -0.42 0.00 0.00 57.16 56.43 2ofn n GLU 73 Cb 0.00 -1.62 -0.15 0.00 -0.57 0.00 0.00 31.44 29.10 2ofn n GLU 73 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2ofn s VAL 74 N -3.18 2.69 -0.13 2.62 -7.23 -1.26 -4.94 120.40 108.97 2ofn s VAL 74 Ca 0.05 -0.74 -0.13 0.00 -1.81 0.00 0.00 61.98 59.35 2ofn s VAL 74 Cb 0.14 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2ofn s VAL 74 CO 0.77 0.49 -0.25 2.30 -0.31 0.00 0.00 175.10 178.11 2ofn n ILE 75 N 4.50 1.08 0.03 -0.62 -5.35 -1.26 -4.68 119.36 113.06 2ofn n ILE 75 Ca -0.19 0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2ofn n ILE 75 Cb 0.51 -2.12 0.00 0.00 -1.74 0.00 0.00 39.64 36.29 2ofn n ILE 75 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2ofn n LYS 76 N -3.92 0.00 -0.04 6.28 4.76 -1.25 -4.66 118.16 119.33 2ofn n LYS 76 Ca -0.10 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.26 2ofn n LYS 76 Cb 0.37 -0.11 -0.02 0.00 -1.84 0.00 0.00 35.03 33.42 2ofn n LYS 76 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2ofn h GLY 77 N 0.00 -0.11 0.58 0.72 0.00 -1.85 -1.84 103.07 100.57 2ofn h GLY 77 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 2ofn h GLY 77 CO 0.00 -0.19 -0.35 1.49 0.00 0.00 0.00 176.54 177.49 2ofn h TRP 78 N -0.22 0.38 -0.49 5.60 6.55 -1.92 -3.19 115.95 122.67 2ofn h TRP 78 Ca 0.13 -0.20 0.09 0.00 0.95 0.00 0.00 58.89 59.86 2ofn h TRP 78 Cb 0.42 -0.05 -0.08 0.00 -0.86 0.00 0.00 29.16 28.59 2ofn h TRP 78 CO -0.36 0.99 0.03 0.22 -1.05 0.00 0.00 178.44 178.27 2ofn h ASP 79 N -0.34 -0.15 -0.06 -3.49 3.58 -1.73 0.16 116.42 114.40 2ofn h ASP 79 Ca -0.04 0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 2ofn h ASP 79 Cb 1.08 0.18 0.01 0.00 1.72 0.00 0.00 39.33 42.32 2ofn h ASP 79 CO 0.07 -0.04 -0.36 0.40 -2.88 0.00 0.00 179.24 176.43 2ofn h ILE 80 N 0.15 1.43 -0.64 2.25 5.03 -1.50 -3.08 117.51 121.15 2ofn h ILE 80 Ca 0.25 -1.80 -0.04 0.00 -0.12 0.00 0.00 64.86 63.14 2ofn h ILE 80 Cb 0.36 2.40 -0.03 0.00 -3.03 0.00 0.00 36.82 36.52 2ofn h ILE 80 CO -0.38 0.52 0.23 0.00 -0.68 0.00 0.00 178.15 177.84 2ofn h VAL 82 N 0.91 1.27 0.00 0.00 -1.51 -0.80 -2.05 116.25 114.07 2ofn h VAL 82 Ca 0.21 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2ofn h VAL 82 Cb 0.24 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2ofn h VAL 82 CO -0.01 0.40 0.00 -1.20 -1.23 0.00 0.00 177.57 175.52 2ofn n SER 83 N -4.09 0.00 -2.09 4.19 7.64 -0.91 -3.42 113.62 114.94 2ofn n SER 83 Ca -0.01 -0.38 -0.17 0.00 1.01 0.00 0.00 58.87 59.31 2ofn n SER 83 Cb 0.42 -0.20 0.04 0.00 -1.01 0.00 0.00 64.21 63.46 2ofn n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ofn n SER 84 N -1.20 4.07 -4.76 6.43 3.41 -0.78 -4.69 113.62 116.11 2ofn n SER 84 Ca 0.17 -3.41 -0.28 0.00 -0.26 0.00 0.00 58.87 55.08 2ofn n SER 84 Cb 0.20 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 2ofn n SER 84 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2ofn s MET 85 N -3.57 2.18 0.24 4.33 -1.94 -1.22 -4.99 119.30 114.33 2ofn s MET 85 Ca 0.46 -2.11 0.06 0.00 -1.71 0.00 0.00 55.69 52.38 2ofn s MET 85 Cb 0.39 -1.80 -0.05 0.00 2.01 0.00 0.00 34.83 35.38 2ofn s MET 85 CO 0.02 -0.29 -0.07 0.50 -0.01 0.00 0.00 175.02 175.16 2ofn s ARG 86 N -3.94 1.41 0.47 2.03 3.52 -1.23 -4.41 118.95 116.80 2ofn s ARG 86 Ca 0.27 -1.69 0.32 0.00 -0.13 0.00 0.00 55.73 54.50 2ofn s ARG 86 Cb 0.03 -0.99 1.56 0.00 -1.56 0.00 0.00 34.95 33.99 2ofn s ARG 86 CO 0.15 0.05 1.96 -0.22 -0.81 0.00 0.00 175.30 176.43 2ofn h LYS 87 N 2.43 0.00 0.00 5.12 3.64 -1.85 -1.60 116.57 124.31 2ofn h LYS 87 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2ofn h LYS 87 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2ofn h LYS 87 CO 0.65 0.00 -0.05 0.09 -2.27 0.00 0.00 179.45 177.87 2ofn n ASN 88 N -2.70 1.92 -4.13 4.20 3.02 -1.26 -4.93 115.26 111.39 2ofn n ASN 88 Ca -0.01 -2.58 -0.29 0.00 -0.03 0.00 0.00 54.58 51.67 2ofn n ASN 88 Cb 0.15 -0.27 -0.17 0.00 -0.61 0.00 0.00 39.78 38.88 2ofn n ASN 88 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2ofn s GLU 89 N -1.95 2.48 0.01 3.52 2.12 -0.60 -3.20 118.70 121.08 2ofn s GLU 89 Ca 0.19 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 54.85 2ofn s GLU 89 Cb 0.16 -1.94 -0.01 0.00 0.26 0.00 0.00 34.13 32.60 2ofn s GLU 89 CO 0.02 0.09 -0.05 0.21 -0.54 0.00 0.00 175.26 174.99 2ofn s LYS 90 N 0.54 0.41 0.18 4.30 2.20 0.18 -3.52 119.74 124.03 2ofn s LYS 90 Ca -0.16 -0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 54.96 2ofn s LYS 90 Cb -0.17 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.85 2ofn s LYS 90 CO 0.06 0.07 0.35 0.00 -0.36 0.00 0.00 175.35 175.47 2ofn s LEU 92 N -2.95 4.07 -0.16 0.00 1.43 0.38 -1.84 118.68 119.61 2ofn s LEU 92 Ca 0.15 0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 53.73 2ofn s LEU 92 Cb 0.02 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 2ofn s LEU 92 CO -0.00 -0.28 0.14 0.54 0.23 0.00 0.00 176.35 176.98 2ofn s VAL 93 N 2.23 5.45 -0.40 -1.59 0.11 0.22 0.40 120.40 126.81 2ofn s VAL 93 Ca 0.22 0.21 -0.17 0.00 -2.93 0.00 0.00 61.98 59.31 2ofn s VAL 93 Cb -0.16 -3.44 0.01 0.00 -1.53 0.00 0.00 36.38 31.27 2ofn s VAL 93 CO 0.09 0.52 0.45 -0.13 -3.33 0.00 0.00 175.10 172.70 2ofn s ARG 94 N -0.28 3.24 -0.61 1.54 1.81 0.88 -1.22 118.95 124.32 2ofn s ARG 94 Ca 0.11 -0.61 -0.21 0.00 -1.72 0.00 0.00 55.73 53.30 2ofn s ARG 94 Cb -0.12 -3.92 0.08 0.00 -0.45 0.00 0.00 34.95 30.54 2ofn s ARG 94 CO 0.01 -0.79 0.82 0.42 -0.68 0.00 0.00 175.30 175.08 2ofn s ILE 95 N 2.20 4.59 0.79 1.52 1.09 0.98 -4.43 121.20 127.93 2ofn s ILE 95 Ca 0.14 -0.60 -0.12 0.00 -1.10 0.00 0.00 60.65 58.96 2ofn s ILE 95 Cb -0.17 -4.55 0.07 0.00 -1.06 0.00 0.00 42.46 36.75 2ofn s ILE 95 CO 0.14 -1.23 1.16 -0.70 -0.10 0.00 0.00 174.94 174.20 2ofn s GLU 96 N 3.32 2.16 0.22 2.79 2.12 -1.26 -0.29 118.70 127.75 2ofn s GLU 96 Ca 0.17 0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.61 2ofn s GLU 96 Cb -0.20 -1.96 0.32 0.00 0.26 0.00 0.00 34.13 32.54 2ofn s GLU 96 CO 0.09 -1.48 1.65 0.77 -0.54 0.00 0.00 175.26 175.75 2ofn h SER 97 N -0.98 -0.37 0.75 -1.70 0.02 -1.76 0.19 113.55 109.70 2ofn h SER 97 Ca -0.46 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2ofn h SER 97 Cb 1.31 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2ofn h SER 97 CO 0.65 -0.15 0.00 1.15 -1.14 0.00 0.00 176.83 177.34 2ofn n MET 98 N -5.33 0.18 0.01 3.45 0.00 -1.26 -2.97 117.12 111.20 2ofn n MET 98 Ca 0.10 0.03 0.11 0.00 0.00 0.00 0.00 57.70 57.94 2ofn n MET 98 Cb 0.38 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.08 2ofn n MET 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2ofn n TYR 99 N -1.40 0.10 -3.76 3.17 4.01 0.58 -4.90 117.16 114.96 2ofn n TYR 99 Ca 0.10 0.03 -0.24 0.00 -0.16 0.00 0.00 57.90 57.62 2ofn n TYR 99 Cb 0.27 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 2ofn n TYR 99 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2ofn s GLY 100 N -3.42 2.27 0.21 2.72 0.00 -0.75 -2.53 107.32 105.82 2ofn s GLY 100 Ca 0.05 -1.53 -0.09 0.00 0.00 0.00 0.00 44.72 43.15 2ofn s GLY 100 CO 0.82 -1.87 1.83 -1.82 0.00 0.00 0.00 173.10 172.07 2ofn h TYR 101 N 0.81 1.06 0.00 1.90 3.20 -1.88 -3.49 116.97 118.58 2ofn h TYR 101 Ca -0.38 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.47 2ofn h TYR 101 Cb 1.29 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2ofn h TYR 101 CO 0.81 0.74 0.00 0.41 -1.64 0.00 0.00 178.16 178.48 2ofn n GLY 102 N -1.11 2.39 0.22 1.82 0.00 -1.26 -4.59 105.19 102.66 2ofn n GLY 102 Ca 0.07 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 44.17 2ofn n GLY 102 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ofn h ASP 103 N 0.00 0.00 -0.27 1.61 3.58 -1.89 -2.87 116.42 116.58 2ofn h ASP 103 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ofn h ASP 103 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ofn h ASP 103 CO 0.00 0.21 0.00 1.21 -2.88 0.00 0.00 179.24 177.78 2ofn n GLU 104 N -3.33 1.71 -0.37 0.28 2.13 -1.26 -4.85 120.64 114.94 2ofn n GLU 104 Ca 0.01 -1.00 0.00 0.00 0.66 0.00 0.00 57.16 56.82 2ofn n GLU 104 Cb 0.45 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.89 2ofn n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ofn n GLY 105 N 0.87 5.81 3.69 8.31 0.00 -1.08 -5.11 105.19 117.69 2ofn n GLY 105 Ca 0.09 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2ofn n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ofn s GLY 107 N 1.59 2.18 0.00 0.00 0.00 -1.26 -4.75 107.32 105.08 2ofn s GLY 107 Ca 0.61 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.66 2ofn s GLY 107 CO 0.26 -0.46 0.00 1.18 0.00 0.00 0.00 173.10 174.08 2ofn n GLU 108 N 1.53 0.00 0.00 2.90 1.02 -1.26 -4.91 120.64 119.93 2ofn n GLU 108 Ca -0.16 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2ofn n GLU 108 Cb 0.54 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 2ofn n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2ofn n SER 109 N -1.80 0.00 -3.56 1.62 7.64 -1.26 -5.03 113.62 111.23 2ofn n SER 109 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2ofn n SER 109 Cb 0.00 -0.30 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 2ofn n SER 109 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ofn s ILE 110 N -0.79 -0.26 0.00 0.44 -0.00 -1.26 -5.09 121.20 114.23 2ofn s ILE 110 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 2ofn s ILE 110 Cb 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 42.46 41.89 2ofn s ILE 110 CO 0.00 -0.14 0.00 -0.81 -0.00 0.00 0.00 174.94 173.99 2ofn n PRO 111 N 5.31 0.00 -1.43 0.37 -0.04 -1.26 -4.93 135.00 133.02 2ofn n PRO 111 Ca -0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.26 2ofn n PRO 111 Cb 0.49 -0.28 -0.06 0.00 -0.04 0.00 0.00 33.50 33.61 2ofn n PRO 111 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ofn n GLY 112 N 2.66 1.46 3.25 0.55 0.00 -1.26 -2.39 105.19 109.46 2ofn n GLY 112 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2ofn n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ofn n ASN 113 N -0.89 -4.46 -4.94 1.61 4.13 -1.26 -4.85 115.26 104.60 2ofn n ASN 113 Ca -0.15 -0.35 -0.25 0.00 1.68 0.00 0.00 54.58 55.51 2ofn n ASN 113 Cb 0.56 -3.65 0.01 0.00 -1.54 0.00 0.00 39.78 35.16 2ofn n ASN 113 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2ofn s SER 114 N -2.71 4.70 -0.16 6.41 0.01 -1.00 -4.45 113.70 116.49 2ofn s SER 114 Ca 0.37 -1.20 -0.15 0.00 1.31 0.00 0.00 55.95 56.28 2ofn s SER 114 Cb -0.19 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.50 2ofn s SER 114 CO 0.45 -1.21 0.33 0.54 0.41 0.00 0.00 173.24 173.76 2ofn s VAL 115 N -2.78 5.28 0.40 3.43 0.11 -1.26 -3.15 120.40 122.43 2ofn s VAL 115 Ca 0.39 0.63 0.04 0.00 -2.93 0.00 0.00 61.98 60.10 2ofn s VAL 115 Cb -0.03 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2ofn s VAL 115 CO 0.25 0.36 0.08 -0.76 -3.33 0.00 0.00 175.10 171.70 2ofn s LEU 116 N 0.58 2.15 -0.11 2.54 1.02 0.60 -1.67 118.68 123.79 2ofn s LEU 116 Ca 0.18 -1.55 -0.07 0.00 0.02 0.00 0.00 54.13 52.71 2ofn s LEU 116 Cb -0.13 -0.34 0.04 0.00 0.02 0.00 0.00 46.19 45.77 2ofn s LEU 116 CO 0.05 -0.78 0.26 -1.48 0.02 0.00 0.00 176.35 174.42 2ofn s LEU 117 N -3.61 0.57 0.01 1.79 0.05 -1.21 -0.02 118.68 116.25 2ofn s LEU 117 Ca 0.26 0.54 0.05 0.00 0.05 0.00 0.00 54.13 55.03 2ofn s LEU 117 Cb 0.05 0.81 -0.02 0.00 -2.05 0.00 0.00 46.19 44.99 2ofn s LEU 117 CO 0.13 -0.14 -0.16 -0.36 -0.55 0.00 0.00 176.35 175.27 2ofn s PHE 118 N 0.93 1.42 -0.02 3.48 0.08 -0.35 -3.09 117.98 120.42 2ofn s PHE 118 Ca -0.07 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.39 2ofn s PHE 118 Cb -0.08 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 2ofn s PHE 118 CO -0.06 0.00 1.15 -1.21 -0.10 0.00 0.00 175.22 175.00 2ofn s GLU 119 N -0.62 4.41 -0.27 0.44 2.02 0.72 -0.61 118.70 124.78 2ofn s GLU 119 Ca 0.05 1.63 -0.08 0.00 0.02 0.00 0.00 54.97 56.60 2ofn s GLU 119 Cb -0.07 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 2ofn s GLU 119 CO 0.00 -0.33 0.09 0.42 0.02 0.00 0.00 175.26 175.47 2ofn s ILE 120 N 1.73 4.35 -0.27 -1.63 1.01 -0.77 -3.16 121.20 122.46 2ofn s ILE 120 Ca 0.55 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 2ofn s ILE 120 Cb -0.25 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.12 2ofn s ILE 120 CO 0.24 0.24 0.02 -0.70 0.00 0.00 0.00 174.94 174.74 2ofn s GLU 121 N 1.60 3.09 -0.92 2.79 2.12 -0.37 -3.87 118.70 123.15 2ofn s GLU 121 Ca 0.05 -0.83 -0.17 0.00 0.36 0.00 0.00 54.97 54.38 2ofn s GLU 121 Cb -0.16 -3.21 0.15 0.00 0.26 0.00 0.00 34.13 31.18 2ofn s GLU 121 CO 0.04 -0.38 1.06 -1.17 -0.54 0.00 0.00 175.26 174.27 2ofn s LEU 122 N 1.45 5.44 -0.14 2.70 2.96 -1.26 -1.96 118.68 127.87 2ofn s LEU 122 Ca 0.03 -2.23 0.09 0.00 -0.22 0.00 0.00 54.13 51.80 2ofn s LEU 122 Cb -0.16 -2.36 -0.23 0.00 0.50 0.00 0.00 46.19 43.94 2ofn s LEU 122 CO -0.00 -0.94 0.26 0.00 -1.32 0.00 0.00 176.35 174.35 2ofn n LEU 123 N 5.92 1.22 -3.86 -0.68 -0.00 -1.23 -4.72 117.00 113.66 2ofn n LEU 123 Ca 0.22 0.15 -0.20 0.00 -0.00 0.00 0.00 56.01 56.18 2ofn n LEU 123 Cb 0.48 -0.11 -0.16 0.00 -0.00 0.00 0.00 43.42 43.63 2ofn n LEU 123 CO 0.47 0.60 -0.40 -0.44 -0.00 0.00 0.00 177.39 177.62 2ofn s SER 124 N -6.12 0.96 0.15 1.45 0.01 -1.14 -5.04 113.70 103.98 2ofn s SER 124 Ca -0.14 -0.10 -0.25 0.00 1.31 0.00 0.00 55.95 56.76 2ofn s SER 124 Cb 0.07 -0.41 0.07 0.00 0.21 0.00 0.00 66.02 65.96 2ofn s SER 124 CO 0.78 -0.08 0.99 0.72 0.41 0.00 0.00 173.24 176.05 2ofn s PHE 125 N 1.09 -0.10 0.22 2.43 -0.71 -1.26 0.55 117.98 120.21 2ofn s PHE 125 Ca -0.08 -0.22 -0.23 0.00 -1.04 0.00 0.00 56.93 55.36 2ofn s PHE 125 Cb -0.14 0.65 0.04 0.00 -1.21 0.00 0.00 43.02 42.36 2ofn s PHE 125 CO -0.01 -0.82 0.78 -0.98 -1.34 0.00 0.00 175.22 172.85 2ofn s ARG 126 N -3.09 1.53 0.02 1.99 1.70 -1.25 -4.98 118.95 114.87 2ofn s ARG 126 Ca 0.14 -0.82 -0.06 0.00 -0.47 0.00 0.00 55.73 54.52 2ofn s ARG 126 Cb -0.01 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 2ofn s ARG 126 CO 0.02 -0.70 0.10 -2.00 -1.08 0.00 0.00 175.30 171.65 2ofn s GLU 127 N -3.69 0.51 0.00 3.89 -6.30 -1.26 -4.52 118.70 107.33 2ofn s GLU 127 Ca 0.10 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 2ofn s GLU 127 Cb -0.04 0.20 0.00 0.00 0.00 0.00 0.00 34.13 34.29 2ofn s GLU 127 CO 0.03 -0.12 0.00 -0.11 0.02 0.00 0.00 175.26 175.08 2ofn n LEU 128 N 1.16 0.00 -4.18 2.70 7.94 -1.26 -5.08 117.00 118.27 2ofn n LEU 128 Ca -0.21 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.29 2ofn n LEU 128 Cb 0.57 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.43 2ofn n LEU 128 CO 0.22 0.00 -0.02 -0.70 -1.11 0.00 0.00 177.39 175.78 2ofn s GLU 129 N -1.00 2.44 -0.91 1.96 2.12 -1.26 -4.93 118.70 117.13 2ofn s GLU 129 Ca 0.00 -1.91 -0.05 0.00 0.36 0.00 0.00 54.97 53.37 2ofn s GLU 129 Cb 0.00 -3.86 0.06 0.00 0.26 0.00 0.00 34.13 30.59 2ofn s GLU 129 CO 0.00 -1.17 2.65 1.58 -0.54 0.00 0.00 175.26 177.78 2ofn n HIS 130 N 4.62 2.03 -4.16 5.30 -0.00 -1.26 -4.89 115.22 116.85 2ofn n HIS 130 Ca -0.04 -2.40 -0.17 0.00 -0.00 0.00 0.00 57.72 55.11 2ofn n HIS 130 Cb 0.41 -1.67 -0.15 0.00 -0.00 0.00 0.00 29.99 28.58 2ofn n HIS 130 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ofn s HIS 131 N -1.08 0.54 -0.18 1.57 5.04 -1.26 -5.13 115.29 114.78 2ofn s HIS 131 Ca 0.58 -0.11 0.01 0.00 -1.54 0.00 0.00 55.06 54.00 2ofn s HIS 131 Cb 0.27 -0.40 0.02 0.00 0.04 0.00 0.00 32.58 32.51 2ofn s HIS 131 CO -0.14 -0.06 -0.18 -1.58 -2.34 0.00 0.00 174.74 170.44 2ofn s HIS 132 N 0.18 2.68 -0.01 3.88 2.46 -1.26 -5.10 115.29 118.12 2ofn s HIS 132 Ca -0.02 -1.61 -0.30 0.00 0.47 0.00 0.00 55.06 53.60 2ofn s HIS 132 Cb -0.06 -1.85 -0.04 0.00 -0.13 0.00 0.00 32.58 30.50 2ofn s HIS 132 CO -0.00 -0.79 1.17 -1.58 -2.47 0.00 0.00 174.74 171.07 2ofn s HIS 133 N 1.32 3.34 0.02 3.88 5.04 -1.26 -4.97 115.29 122.66 2ofn s HIS 133 Ca 0.04 1.31 -0.27 0.00 -1.54 0.00 0.00 55.06 54.60 2ofn s HIS 133 Cb -0.13 -3.38 -0.16 0.00 0.04 0.00 0.00 32.58 28.95 2ofn s HIS 133 CO -0.12 -1.12 1.20 1.12 -2.34 0.00 0.00 174.74 173.48 2ofn h HIS 134 N 7.14 -0.81 0.00 3.88 2.07 -2.08 -3.58 115.15 121.77 2ofn h HIS 134 Ca -0.37 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.13 2ofn h HIS 134 Cb 1.19 0.27 0.00 0.00 2.57 0.00 0.00 27.41 31.43 2ofn h HIS 134 CO 0.70 -0.47 0.00 1.58 -3.07 0.00 0.00 177.93 176.68