#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afc s PRO 11 N 0.00 -0.71 0.33 1.64 0.05 -1.26 -4.83 135.00 130.22 1afc s PRO 11 Ca 0.00 0.59 -0.13 0.00 0.05 0.00 0.00 61.00 61.51 1afc s PRO 11 Cb 0.00 -1.60 0.02 0.00 0.05 0.00 0.00 34.50 32.98 1afc s PRO 11 CO 0.00 -3.52 0.64 0.15 0.05 0.00 0.00 177.00 174.32 1afc s LYS 12 N -4.73 1.95 -0.04 4.56 -0.14 -0.89 -4.71 119.74 115.73 1afc s LYS 12 Ca 0.68 -1.41 0.07 0.00 -1.36 0.00 0.00 55.97 53.94 1afc s LYS 12 Cb -0.21 0.55 -0.01 0.00 -1.68 0.00 0.00 37.83 36.47 1afc s LYS 12 CO 0.61 -0.87 -0.25 -0.51 -0.76 0.00 0.00 175.35 173.58 1afc s LEU 13 N -3.08 2.05 -0.41 3.17 1.02 0.41 -1.79 118.68 120.06 1afc s LEU 13 Ca 0.20 -0.47 -0.11 0.00 0.02 0.00 0.00 54.13 53.77 1afc s LEU 13 Cb -0.03 -1.31 0.06 0.00 0.02 0.00 0.00 46.19 44.92 1afc s LEU 13 CO 0.13 0.27 0.25 -0.76 0.02 0.00 0.00 176.35 176.26 1afc s LEU 14 N -0.36 5.02 -0.24 1.79 1.02 -1.26 0.08 118.68 124.73 1afc s LEU 14 Ca 0.03 -1.26 -0.24 0.00 0.02 0.00 0.00 54.13 52.67 1afc s LEU 14 Cb -0.12 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 1afc s LEU 14 CO 0.01 -0.49 0.83 -0.47 0.02 0.00 0.00 176.35 176.25 1afc s TYR 15 N 1.51 3.31 -0.30 0.29 5.04 -0.38 -3.12 117.35 123.70 1afc s TYR 15 Ca 0.03 1.13 -0.14 0.00 -2.44 0.00 0.00 57.07 55.65 1afc s TYR 15 Cb -0.22 -3.04 -0.03 0.00 0.35 0.00 0.00 41.96 39.02 1afc s TYR 15 CO 0.05 -0.39 0.32 0.00 -1.34 0.00 0.00 175.55 174.19 1afc h SER 17 N 8.34 0.00 0.00 0.00 4.64 -1.68 -2.83 113.55 122.02 1afc h SER 17 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1afc h SER 17 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1afc h SER 17 CO 0.64 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.40 1afc n ASN 18 N -2.49 0.00 -0.48 4.97 2.85 -1.22 -3.91 115.26 114.98 1afc n ASN 18 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1afc n ASN 18 Cb 0.26 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1afc n ASN 18 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1afc n GLY 19 N 0.00 0.83 2.25 8.20 0.00 -1.26 -4.66 105.19 110.54 1afc n GLY 19 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1afc n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1afc n GLY 20 N 0.20 0.27 3.72 -0.02 0.00 -1.07 -5.01 105.19 103.28 1afc n GLY 20 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1afc n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afc s TYR 21 N -3.14 3.09 -0.15 1.61 2.02 -1.22 -4.67 117.35 114.89 1afc s TYR 21 Ca 0.16 0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1afc s TYR 21 Cb -0.07 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1afc s TYR 21 CO 0.30 0.50 0.06 -0.06 -1.57 0.00 0.00 175.55 174.78 1afc s PHE 22 N -1.31 3.28 0.16 2.71 0.40 0.34 -2.29 117.98 121.28 1afc s PHE 22 Ca 0.26 0.15 -0.34 0.00 -0.60 0.00 0.00 56.93 56.41 1afc s PHE 22 Cb -0.12 -2.00 -0.13 0.00 0.51 0.00 0.00 43.02 41.27 1afc s PHE 22 CO 0.19 0.29 1.62 -0.11 0.70 0.00 0.00 175.22 177.91 1afc n LEU 23 N 3.05 3.26 -4.41 -0.37 7.94 -1.18 -1.82 117.00 123.47 1afc n LEU 23 Ca -0.17 1.07 -0.26 0.00 -1.11 0.00 0.00 56.01 55.54 1afc n LEU 23 Cb 0.53 -1.45 -0.12 0.00 0.53 0.00 0.00 43.42 42.91 1afc n LEU 23 CO 0.33 -0.20 -0.53 -0.13 -1.11 0.00 0.00 177.39 175.76 1afc s ARG 24 N 1.10 1.48 -0.40 1.96 0.52 0.51 -4.64 118.95 119.47 1afc s ARG 24 Ca 0.79 -1.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1afc s ARG 24 Cb -0.65 -1.78 0.15 0.00 0.52 0.00 0.00 34.95 33.19 1afc s ARG 24 CO 0.37 0.39 0.28 0.42 0.02 0.00 0.00 175.30 176.78 1afc s ILE 25 N -1.68 0.46 0.88 1.52 1.01 -1.24 -0.15 121.20 121.99 1afc s ILE 25 Ca 0.20 -2.30 -0.11 0.00 0.00 0.00 0.00 60.65 58.43 1afc s ILE 25 Cb -0.08 -1.33 0.12 0.00 0.01 0.00 0.00 42.46 41.18 1afc s ILE 25 CO 0.09 -1.09 1.09 -0.76 0.00 0.00 0.00 174.94 174.27 1afc s LEU 26 N 0.46 2.39 0.19 2.97 1.02 -0.06 -4.91 118.68 120.74 1afc s LEU 26 Ca 0.25 1.55 0.21 0.00 0.02 0.00 0.00 54.13 56.16 1afc s LEU 26 Cb -0.11 -4.02 0.88 0.00 0.02 0.00 0.00 46.19 42.96 1afc s LEU 26 CO -0.09 -2.55 1.63 -2.65 0.02 0.00 0.00 176.35 172.71 1afc n PRO 27 N -3.83 0.14 -0.13 1.29 -0.01 -1.26 -1.57 135.00 129.62 1afc n PRO 27 Ca 0.07 0.39 0.09 0.00 -0.01 0.00 0.00 63.50 64.04 1afc n PRO 27 Cb 0.55 -1.77 0.29 0.00 -0.01 0.00 0.00 33.50 32.56 1afc n PRO 27 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 1afc n ASP 28 N -2.04 1.87 0.00 2.55 5.68 -1.26 -4.91 116.55 118.44 1afc n ASP 28 Ca 0.02 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1afc n ASP 28 Cb 0.20 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1afc n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1afc n GLY 29 N 1.13 0.62 3.76 6.12 0.00 -0.61 -4.95 105.19 111.27 1afc n GLY 29 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1afc n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1afc s THR 30 N -2.49 4.19 -0.19 2.61 2.01 -1.25 -2.66 115.64 117.87 1afc s THR 30 Ca 0.00 1.91 -0.03 0.00 0.31 0.00 0.00 61.69 63.89 1afc s THR 30 Cb 0.00 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 1afc s THR 30 CO 0.00 0.47 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 1afc s VAL 31 N -1.22 3.41 0.35 3.82 1.01 -1.26 -0.88 120.40 125.63 1afc s VAL 31 Ca 0.40 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1afc s VAL 31 Cb -0.24 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.67 1afc s VAL 31 CO 0.29 0.46 0.74 1.51 0.00 0.00 0.00 175.10 178.10 1afc s ASP 32 N 1.00 -0.01 0.50 3.32 1.47 0.79 -4.53 116.67 119.20 1afc s ASP 32 Ca -0.00 -1.02 0.07 0.00 1.18 0.00 0.00 52.55 52.77 1afc s ASP 32 Cb -0.15 0.80 0.04 0.00 -0.34 0.00 0.00 42.92 43.27 1afc s ASP 32 CO 0.00 -1.56 0.68 -0.83 0.68 0.00 0.00 175.17 174.14 1afc s GLY 33 N -3.04 1.87 -0.28 2.12 0.00 -0.40 0.19 107.32 107.78 1afc s GLY 33 Ca 0.15 -1.72 -0.20 0.00 0.00 0.00 0.00 44.72 42.95 1afc s GLY 33 CO 0.11 -1.43 0.88 -1.08 0.00 0.00 0.00 173.10 171.57 1afc s THR 34 N -2.54 0.00 -0.37 0.90 -1.32 -0.75 -4.84 115.64 106.71 1afc s THR 34 Ca 0.58 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.12 1afc s THR 34 Cb -0.09 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.50 1afc s THR 34 CO 0.36 0.00 1.64 0.29 -2.21 0.00 0.00 174.62 174.69 1afc n LYS 35 N 3.23 3.00 -3.45 7.08 5.02 -1.26 0.13 118.16 131.90 1afc n LYS 35 Ca -0.16 -2.48 -0.43 0.00 -2.02 0.00 0.00 58.31 53.22 1afc n LYS 35 Cb 0.57 -2.03 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 1afc n LYS 35 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1afc s ASP 36 N -0.75 5.91 0.00 4.39 2.15 -1.26 -4.92 116.67 122.20 1afc s ASP 36 Ca 0.45 -1.82 0.00 0.00 0.43 0.00 0.00 52.55 51.62 1afc s ASP 36 Cb 0.36 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.89 1afc s ASP 36 CO 0.11 -0.75 0.00 -1.14 -0.17 0.00 0.00 175.17 173.22 1afc n ARG 37 N 5.06 0.00 0.00 4.34 0.63 -1.26 -2.16 116.66 123.26 1afc n ARG 37 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1afc n ARG 37 Cb 0.41 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.39 1afc n ARG 37 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1afc n SER 38 N -0.08 0.24 -4.61 6.15 2.88 -1.26 -5.02 113.62 111.91 1afc n SER 38 Ca 0.00 -0.59 -0.48 0.00 -1.33 0.00 0.00 58.87 56.47 1afc n SER 38 Cb 0.00 0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1afc n SER 38 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1afc n ASP 39 N -0.60 1.87 0.06 -3.46 2.03 -0.92 -4.78 116.55 110.75 1afc n ASP 39 Ca 0.00 1.14 0.09 0.00 0.52 0.00 0.00 54.79 56.54 1afc n ASP 39 Cb 0.01 -1.29 0.38 0.00 -0.72 0.00 0.00 41.12 39.51 1afc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afc n GLN 40 N 1.99 0.09 -0.03 -0.67 10.64 -1.26 -1.11 117.38 127.03 1afc n GLN 40 Ca 0.14 0.34 0.12 0.00 -1.83 0.00 0.00 57.00 55.77 1afc n GLN 40 Cb 0.26 -1.67 0.54 0.00 -0.86 0.00 0.00 30.24 28.51 1afc n GLN 40 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1afc n HIS 41 N -1.83 0.08 0.82 2.61 8.25 -1.26 -3.23 115.22 120.65 1afc n HIS 41 Ca 0.03 -0.04 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1afc n HIS 41 Cb 0.19 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.35 1afc n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1afc n ILE 42 N -0.15 0.00 -2.81 1.59 -5.35 -0.27 -3.70 119.36 108.67 1afc n ILE 42 Ca 0.18 -0.44 -0.43 0.00 -0.27 0.00 0.00 62.75 61.79 1afc n ILE 42 Cb 0.25 1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 1afc n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1afc s GLN 43 N -1.79 3.56 -0.03 6.28 1.11 -1.20 -4.51 119.66 123.08 1afc s GLN 43 Ca 0.20 -1.50 -0.24 0.00 0.01 0.00 0.00 55.36 53.84 1afc s GLN 43 Cb 0.16 -4.99 -0.04 0.00 -1.01 0.00 0.00 33.01 27.13 1afc s GLN 43 CO 0.32 -1.91 0.73 -0.51 0.01 0.00 0.00 175.29 173.93 1afc s LEU 44 N 3.47 4.36 -0.28 2.90 2.01 -0.74 -1.24 118.68 129.16 1afc s LEU 44 Ca 0.36 1.29 -0.09 0.00 0.01 0.00 0.00 54.13 55.70 1afc s LEU 44 Cb -0.04 -3.15 -0.02 0.00 0.01 0.00 0.00 46.19 42.99 1afc s LEU 44 CO -0.08 -0.08 0.13 0.00 1.01 0.00 0.00 176.35 177.33 1afc s GLN 45 N 0.53 3.57 -0.29 1.70 -2.07 1.06 -2.10 119.66 122.06 1afc s GLN 45 Ca 0.39 -0.56 -0.28 0.00 -1.82 0.00 0.00 55.36 53.09 1afc s GLN 45 Cb -0.19 -3.50 0.01 0.00 -1.09 0.00 0.00 33.01 28.24 1afc s GLN 45 CO 0.20 -0.29 1.01 -0.51 -1.32 0.00 0.00 175.29 174.38 1afc s LEU 46 N 1.64 4.01 -0.20 2.60 1.43 -1.26 -0.28 118.68 126.63 1afc s LEU 46 Ca 0.06 1.09 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1afc s LEU 46 Cb -0.16 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1afc s LEU 46 CO 0.06 -0.76 -0.06 0.00 0.23 0.00 0.00 176.35 175.83 1afc s ALA 47 N 3.37 2.81 0.34 4.21 0.00 -0.51 -4.82 121.76 127.17 1afc s ALA 47 Ca 0.42 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 1afc s ALA 47 Cb -0.13 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1afc s ALA 47 CO 0.12 -0.24 1.03 0.00 0.00 0.00 0.00 175.76 176.67 1afc s ALA 48 N 1.15 3.21 -0.30 0.00 0.00 -1.26 -1.55 121.76 123.00 1afc s ALA 48 Ca 0.02 0.69 0.09 0.00 0.00 0.00 0.00 51.96 52.76 1afc s ALA 48 Cb -0.14 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1afc s ALA 48 CO -0.01 -0.07 0.32 -1.91 0.00 0.00 0.00 175.76 174.09 1afc n GLU 49 N 0.49 3.14 0.00 0.00 0.00 0.34 -4.94 120.64 119.67 1afc n GLU 49 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1afc n GLU 49 Cb 0.48 -0.99 0.00 0.00 0.00 0.00 0.00 31.44 30.94 1afc n GLU 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1afc n SER 50 N -1.36 0.00 -2.53 4.31 7.64 -1.26 -4.91 113.62 115.51 1afc n SER 50 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 1afc n SER 50 Cb 0.16 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 1afc n SER 50 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1afc n ILE 51 N 0.00 -1.29 0.00 0.44 -0.00 -1.26 -2.20 119.36 115.05 1afc n ILE 51 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 1afc n ILE 51 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 39.64 38.48 1afc n ILE 51 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1afc n GLY 52 N -0.55 1.04 3.20 7.39 0.00 -1.26 -5.04 105.19 109.96 1afc n GLY 52 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1afc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1afc s GLU 53 N -0.36 2.70 0.08 1.61 2.02 -0.93 -2.68 118.70 121.14 1afc s GLU 53 Ca 0.00 -1.07 0.07 0.00 0.02 0.00 0.00 54.97 53.99 1afc s GLU 53 Cb 0.00 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1afc s GLU 53 CO 0.00 -0.48 -0.18 0.14 0.02 0.00 0.00 175.26 174.76 1afc s VAL 54 N 1.31 1.47 0.06 2.63 -7.23 -0.40 0.13 120.40 118.37 1afc s VAL 54 Ca -0.02 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1afc s VAL 54 Cb -0.18 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1afc s VAL 54 CO -0.03 -0.08 0.14 -0.31 -0.31 0.00 0.00 175.10 174.51 1afc s TYR 55 N -1.14 3.35 -0.62 2.82 2.02 -0.60 -0.99 117.35 122.20 1afc s TYR 55 Ca 0.03 0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.96 1afc s TYR 55 Cb -0.10 -1.69 0.26 0.00 -0.40 0.00 0.00 41.96 40.02 1afc s TYR 55 CO 0.03 0.56 0.75 -0.89 -1.57 0.00 0.00 175.55 174.43 1afc n ILE 56 N 0.44 2.21 -1.97 2.71 5.41 -1.26 -1.42 119.36 125.48 1afc n ILE 56 Ca -0.07 -5.17 -0.41 0.00 1.00 0.00 0.00 62.75 58.10 1afc n ILE 56 Cb 0.51 -2.04 -0.01 0.00 -0.71 0.00 0.00 39.64 37.39 1afc n ILE 56 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1afc s LYS 57 N -2.46 4.23 -0.19 0.38 2.20 0.61 -2.17 119.74 122.33 1afc s LYS 57 Ca 0.40 2.37 -0.22 0.00 -0.36 0.00 0.00 55.97 58.16 1afc s LYS 57 Cb 0.16 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1afc s LYS 57 CO -0.02 -0.36 0.70 0.45 -0.36 0.00 0.00 175.35 175.75 1afc s SER 58 N -0.35 6.77 0.29 1.43 0.15 0.78 0.34 113.70 123.12 1afc s SER 58 Ca 0.51 0.94 0.02 0.00 0.70 0.00 0.00 55.95 58.12 1afc s SER 58 Cb -0.43 -2.38 0.46 0.00 -1.71 0.00 0.00 66.02 61.96 1afc s SER 58 CO 0.57 -0.32 1.78 0.74 1.20 0.00 0.00 173.24 177.22 1afc h THR 59 N 5.19 1.24 0.00 6.45 2.02 -1.49 -0.29 112.91 126.03 1afc h THR 59 Ca -0.31 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1afc h THR 59 Cb 1.14 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1afc h THR 59 CO 0.79 0.34 0.00 -0.62 0.37 0.00 0.00 175.52 176.41 1afc n GLU 60 N -4.20 0.00 0.23 6.66 -0.58 -1.26 -3.91 120.64 117.57 1afc n GLU 60 Ca 0.01 0.06 0.09 0.00 -0.42 0.00 0.00 57.16 56.90 1afc n GLU 60 Cb 0.32 -0.72 0.63 0.00 -0.57 0.00 0.00 31.44 31.10 1afc n GLU 60 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1afc h THR 61 N 0.00 0.99 0.00 2.62 1.35 -1.91 -3.46 112.91 112.49 1afc h THR 61 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1afc h THR 61 Cb 0.00 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1afc h THR 61 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1afc n GLY 62 N -1.54 0.49 3.95 5.82 0.00 -0.12 -5.01 105.19 108.78 1afc n GLY 62 Ca -0.02 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1afc n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afc s GLN 63 N -1.29 1.30 -0.05 1.61 -0.21 -1.26 -4.68 119.66 115.08 1afc s GLN 63 Ca 0.00 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 54.77 1afc s GLN 63 Cb 0.00 -2.08 -0.00 0.00 1.00 0.00 0.00 33.01 31.92 1afc s GLN 63 CO 0.00 -1.85 -0.19 -0.06 -2.12 0.00 0.00 175.29 171.07 1afc s PHE 64 N -3.50 1.87 0.03 0.91 0.08 0.57 -0.16 117.98 117.79 1afc s PHE 64 Ca 0.69 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.88 1afc s PHE 64 Cb -0.06 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1afc s PHE 64 CO 0.48 -0.19 1.20 -1.17 -0.10 0.00 0.00 175.22 175.45 1afc s LEU 65 N 0.03 4.35 0.38 -0.37 0.20 -0.92 0.71 118.68 123.06 1afc s LEU 65 Ca -0.05 1.97 0.04 0.00 0.69 0.00 0.00 54.13 56.78 1afc s LEU 65 Cb -0.12 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 1afc s LEU 65 CO 0.03 -0.50 0.10 0.00 -0.29 0.00 0.00 176.35 175.69 1afc s ALA 66 N 1.35 2.73 -0.26 5.97 0.00 -0.42 -4.46 121.76 126.67 1afc s ALA 66 Ca 0.58 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1afc s ALA 66 Cb -0.28 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.63 1afc s ALA 66 CO 0.28 -0.32 0.07 1.41 0.00 0.00 0.00 175.76 177.20 1afc s MET 67 N -3.79 0.64 0.80 0.00 1.75 -0.22 -2.76 119.30 115.72 1afc s MET 67 Ca 0.28 -0.75 -0.14 0.00 -1.25 0.00 0.00 55.69 53.83 1afc s MET 67 Cb 0.05 -1.94 0.05 0.00 2.84 0.00 0.00 34.83 35.83 1afc s MET 67 CO 0.14 -0.85 0.97 -0.40 -0.65 0.00 0.00 175.02 174.23 1afc n ASP 68 N 4.97 0.23 0.00 1.11 5.75 -0.02 -4.76 116.55 123.83 1afc n ASP 68 Ca -0.05 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 1afc n ASP 68 Cb 0.44 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 1afc n ASP 68 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1afc n THR 69 N -3.07 0.46 0.83 2.12 5.66 -1.26 -1.11 114.28 117.91 1afc n THR 69 Ca 0.12 0.40 0.10 0.00 -3.05 0.00 0.00 64.05 61.62 1afc n THR 69 Cb 0.51 -1.40 0.05 0.00 -1.55 0.00 0.00 70.33 67.93 1afc n THR 69 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1afc n ASP 70 N -1.05 2.34 0.00 1.09 8.00 -1.26 -4.91 116.55 120.76 1afc n ASP 70 Ca 0.00 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1afc n ASP 70 Cb 0.29 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1afc n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1afc n GLY 71 N 1.18 0.49 3.74 0.44 0.00 -0.27 -4.43 105.19 106.33 1afc n GLY 71 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1afc n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1afc s LEU 72 N 0.00 4.51 0.16 0.99 2.96 -1.26 -0.79 118.68 125.25 1afc s LEU 72 Ca 0.00 1.70 -0.17 0.00 -0.22 0.00 0.00 54.13 55.44 1afc s LEU 72 Cb 0.00 -3.47 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 1afc s LEU 72 CO 0.00 -0.00 0.60 -0.76 -1.32 0.00 0.00 176.35 174.87 1afc s LEU 73 N -0.21 4.37 0.10 -0.68 1.02 -1.26 -0.84 118.68 121.18 1afc s LEU 73 Ca 0.43 1.20 -0.16 0.00 0.02 0.00 0.00 54.13 55.63 1afc s LEU 73 Cb -0.23 -3.31 0.03 0.00 0.02 0.00 0.00 46.19 42.70 1afc s LEU 73 CO 0.28 0.11 0.38 -0.72 0.02 0.00 0.00 176.35 176.42 1afc s TYR 74 N -1.43 -0.18 -0.06 0.29 -0.85 -1.11 -4.68 117.35 109.32 1afc s TYR 74 Ca 0.38 -0.08 -0.14 0.00 -0.52 0.00 0.00 57.07 56.71 1afc s TYR 74 Cb -0.16 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 1afc s TYR 74 CO 0.20 -0.66 0.35 0.20 -1.52 0.00 0.00 175.55 174.12 1afc s GLY 75 N -2.63 2.37 0.16 5.49 0.00 -1.09 -1.30 107.32 110.32 1afc s GLY 75 Ca 0.01 -0.33 0.10 0.00 0.00 0.00 0.00 44.72 44.50 1afc s GLY 75 CO -0.10 0.18 -0.23 -0.45 0.00 0.00 0.00 173.10 172.50 1afc s SER 76 N -0.60 3.09 -0.11 1.64 0.15 0.22 -4.62 113.70 113.47 1afc s SER 76 Ca 0.21 -0.81 0.15 0.00 0.70 0.00 0.00 55.95 56.19 1afc s SER 76 Cb -0.15 -0.21 0.62 0.00 -1.71 0.00 0.00 66.02 64.57 1afc s SER 76 CO 0.10 0.09 1.49 0.00 1.20 0.00 0.00 173.24 176.11 1afc n GLN 77 N 0.53 3.44 -3.52 5.44 1.13 -1.26 -0.31 117.38 122.83 1afc n GLN 77 Ca -0.15 -2.42 -0.15 0.00 -1.94 0.00 0.00 57.00 52.35 1afc n GLN 77 Cb 0.55 -1.85 -0.12 0.00 0.11 0.00 0.00 30.24 28.93 1afc n GLN 77 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1afc s THR 78 N -1.91 -0.41 -0.11 5.09 2.01 -1.26 -4.97 115.64 114.09 1afc s THR 78 Ca 0.43 0.01 -0.36 0.00 0.31 0.00 0.00 61.69 62.08 1afc s THR 78 Cb 0.29 -0.64 -0.13 0.00 0.01 0.00 0.00 72.50 72.03 1afc s THR 78 CO 0.19 -0.09 1.79 -0.81 -0.69 0.00 0.00 174.62 175.01 1afc n PRO 79 N 5.34 1.85 -3.54 4.92 -0.04 -1.26 -4.90 135.00 137.37 1afc n PRO 79 Ca -0.05 0.68 -0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1afc n PRO 79 Cb 0.50 -2.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.46 1afc n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1afc s ASN 80 N 3.43 -0.39 0.10 3.54 4.22 -1.26 -5.05 114.94 119.53 1afc s ASN 80 Ca 0.92 -0.14 0.00 0.00 -2.14 0.00 0.00 52.86 51.50 1afc s ASN 80 Cb -0.81 0.53 0.23 0.00 1.28 0.00 0.00 41.25 42.49 1afc s ASN 80 CO 0.54 -0.89 0.49 -1.84 -2.04 0.00 0.00 177.10 173.36 1afc n GLU 81 N -0.24 -0.03 -0.74 3.55 -0.00 -1.26 0.93 120.64 122.86 1afc n GLU 81 Ca -0.17 0.47 -0.13 0.00 -0.00 0.00 0.00 57.16 57.33 1afc n GLU 81 Cb 0.64 -0.75 0.05 0.00 -0.00 0.00 0.00 31.44 31.38 1afc n GLU 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1afc n GLU 82 N -4.25 1.65 -0.00 3.44 1.02 -1.26 -3.22 120.64 118.01 1afc n GLU 82 Ca 0.07 -1.33 0.01 0.00 -0.02 0.00 0.00 57.16 55.89 1afc n GLU 82 Cb 0.24 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1afc n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1afc s LEU 84 N -2.86 4.44 -0.08 0.00 1.43 -1.20 -4.54 118.68 115.87 1afc s LEU 84 Ca -0.00 0.93 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 1afc s LEU 84 Cb 0.02 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1afc s LEU 84 CO 0.11 0.26 -0.19 -0.36 0.23 0.00 0.00 176.35 176.40 1afc s PHE 85 N -0.75 2.08 0.08 0.29 0.40 -0.16 -1.62 117.98 118.31 1afc s PHE 85 Ca 0.24 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.46 1afc s PHE 85 Cb -0.16 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 1afc s PHE 85 CO 0.13 -0.34 1.03 -0.51 0.70 0.00 0.00 175.22 176.23 1afc s LEU 86 N 0.42 4.44 0.25 -0.37 1.43 0.31 -1.27 118.68 123.88 1afc s LEU 86 Ca -0.16 1.85 -0.01 0.00 -1.03 0.00 0.00 54.13 54.78 1afc s LEU 86 Cb -0.17 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1afc s LEU 86 CO 0.06 -0.22 0.45 -0.70 0.23 0.00 0.00 176.35 176.18 1afc s GLU 87 N 0.38 3.54 -0.25 1.70 2.12 -1.09 -1.98 118.70 123.13 1afc s GLU 87 Ca 0.51 -0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 1afc s GLU 87 Cb -0.25 -2.77 0.13 0.00 0.26 0.00 0.00 34.13 31.51 1afc s GLU 87 CO 0.30 0.32 0.36 1.03 -0.54 0.00 0.00 175.26 176.73 1afc s ARG 88 N -3.54 0.34 1.03 4.30 3.00 -0.37 -4.88 118.95 118.82 1afc s ARG 88 Ca 0.40 0.40 -0.19 0.00 0.00 0.00 0.00 55.73 56.35 1afc s ARG 88 Cb -0.11 -0.55 0.04 0.00 0.00 0.00 0.00 34.95 34.34 1afc s ARG 88 CO 0.30 -0.72 -0.30 -0.11 0.00 0.00 0.00 175.30 174.47 1afc n LEU 89 N 5.36 -2.24 0.00 2.53 7.94 -1.26 -2.90 117.00 126.43 1afc n LEU 89 Ca -0.03 -0.16 -0.05 0.00 -1.11 0.00 0.00 56.01 54.65 1afc n LEU 89 Cb 0.50 -0.77 -0.01 0.00 0.53 0.00 0.00 43.42 43.67 1afc n LEU 89 CO 0.05 -2.92 0.06 -0.62 -1.11 0.00 0.00 177.39 172.85 1afc n GLU 90 N -0.69 0.26 0.00 1.96 -0.58 -0.96 -4.86 120.64 115.77 1afc n GLU 90 Ca 0.01 -1.01 -0.10 0.00 -0.42 0.00 0.00 57.16 55.64 1afc n GLU 90 Cb 0.56 0.98 -0.03 0.00 -0.57 0.00 0.00 31.44 32.38 1afc n GLU 90 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1afc h GLU 91 N 0.00 -0.28 -0.15 3.49 4.11 -1.96 -0.79 114.58 119.00 1afc h GLU 91 Ca -0.10 0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.19 1afc h GLU 91 Cb 0.43 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1afc h GLU 91 CO 0.13 -0.19 -0.54 -0.91 0.07 0.00 0.00 179.01 177.57 1afc h ASN 92 N -0.29 0.75 0.00 3.06 4.21 -2.03 -3.46 115.58 117.81 1afc h ASN 92 Ca 0.10 -0.61 0.00 0.00 1.21 0.00 0.00 56.30 57.00 1afc h ASN 92 Cb 0.44 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1afc h ASN 92 CO -0.30 1.22 0.00 1.41 -1.29 0.00 0.00 177.43 178.48 1afc n HIS 93 N -4.15 0.00 -2.46 1.19 8.25 -0.30 -5.11 115.22 112.64 1afc n HIS 93 Ca -0.07 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.20 1afc n HIS 93 Cb 0.62 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.83 1afc n HIS 93 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1afc n TYR 94 N -0.01 -3.12 -4.35 4.41 4.01 -1.26 -4.80 117.16 112.03 1afc n TYR 94 Ca 0.00 -1.35 -0.18 0.00 -0.16 0.00 0.00 57.90 56.21 1afc n TYR 94 Cb 0.00 -0.60 -0.05 0.00 -0.31 0.00 0.00 39.34 38.38 1afc n TYR 94 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1afc n ASN 95 N -3.00 1.09 -3.46 7.72 3.02 0.02 -2.25 115.26 118.40 1afc n ASN 95 Ca 0.13 -2.56 0.01 0.00 -0.03 0.00 0.00 54.58 52.13 1afc n ASN 95 Cb 0.46 0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 40.36 1afc n ASN 95 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1afc s THR 96 N -2.66 -0.81 -0.40 3.41 -1.32 -1.14 -3.70 115.64 109.02 1afc s THR 96 Ca 0.15 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.50 1afc s THR 96 Cb 0.01 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1afc s THR 96 CO 0.11 0.00 0.26 -0.31 -2.21 0.00 0.00 174.62 172.47 1afc s TYR 97 N 2.77 3.24 -0.26 9.09 1.51 -1.26 -1.24 117.35 131.20 1afc s TYR 97 Ca -0.00 -0.78 -0.11 0.00 -1.01 0.00 0.00 57.07 55.16 1afc s TYR 97 Cb -0.11 -2.56 -0.05 0.00 -0.11 0.00 0.00 41.96 39.14 1afc s TYR 97 CO -0.18 -0.63 0.21 -1.50 -1.11 0.00 0.00 175.55 172.34 1afc s ILE 98 N 1.62 5.31 -0.37 2.71 -1.16 -0.84 -2.53 121.20 125.94 1afc s ILE 98 Ca 0.04 0.24 -0.42 0.00 -0.51 0.00 0.00 60.65 60.00 1afc s ILE 98 Cb -0.19 -3.55 -0.17 0.00 0.61 0.00 0.00 42.46 39.16 1afc s ILE 98 CO 0.08 0.27 1.81 -0.24 -2.81 0.00 0.00 174.94 174.05 1afc n SER 99 N 4.79 1.88 0.19 4.50 2.88 -0.54 0.11 113.62 127.43 1afc n SER 99 Ca -0.13 0.98 -0.15 0.00 -1.33 0.00 0.00 58.87 58.24 1afc n SER 99 Cb 0.52 -1.06 -0.07 0.00 -0.75 0.00 0.00 64.21 62.85 1afc n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1afc h LYS 100 N 7.46 -0.64 -0.42 -1.46 3.64 -1.61 0.50 116.57 124.05 1afc h LYS 100 Ca -0.39 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.12 1afc h LYS 100 Cb 1.34 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.22 1afc h LYS 100 CO 0.99 -0.43 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.39 1afc h LYS 101 N -0.66 -0.04 -0.80 1.90 3.64 -1.82 -2.63 116.57 116.16 1afc h LYS 101 Ca -0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1afc h LYS 101 Cb 0.62 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1afc h LYS 101 CO -0.10 -0.02 0.10 0.72 -2.27 0.00 0.00 179.45 177.88 1afc n HIS 102 N -5.34 1.48 0.31 1.91 8.25 -0.99 -4.50 115.22 116.33 1afc n HIS 102 Ca 0.03 -0.68 0.17 0.00 -0.26 0.00 0.00 57.72 56.97 1afc n HIS 102 Cb 0.25 -0.45 0.90 0.00 1.12 0.00 0.00 29.99 31.81 1afc n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1afc h ALA 103 N 2.80 1.20 0.13 -1.41 0.00 0.39 0.71 119.26 123.08 1afc h ALA 103 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 1afc h ALA 103 Cb 1.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1afc h ALA 103 CO 0.41 -0.20 -1.89 0.93 0.00 0.00 0.00 179.25 178.50 1afc h GLU 104 N 0.00 0.28 0.00 0.00 3.07 -1.83 -2.35 114.58 113.76 1afc h GLU 104 Ca 0.00 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1afc h GLU 104 Cb 0.41 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1afc h GLU 104 CO 0.00 1.23 0.00 0.87 -1.40 0.00 0.00 179.01 179.71 1afc h LYS 105 N 0.02 0.00 -3.43 2.33 6.56 -1.64 -3.44 116.57 116.97 1afc h LYS 105 Ca -0.40 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 58.99 1afc h LYS 105 Cb 2.01 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 33.74 1afc h LYS 105 CO 0.10 0.00 -0.34 0.72 -2.06 0.00 0.00 179.45 177.86 1afc n HIS 106 N -2.44 -1.46 -3.37 -1.35 8.25 0.15 -5.00 115.22 110.00 1afc n HIS 106 Ca -0.00 0.51 -0.37 0.00 -0.26 0.00 0.00 57.72 57.59 1afc n HIS 106 Cb 0.14 -3.05 -0.06 0.00 1.12 0.00 0.00 29.99 28.14 1afc n HIS 106 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1afc s TRP 107 N -3.15 3.50 0.52 4.41 0.51 -1.09 -4.79 118.94 118.85 1afc s TRP 107 Ca 0.29 0.81 0.09 0.00 -2.12 0.00 0.00 56.10 55.17 1afc s TRP 107 Cb -0.13 -2.50 0.09 0.00 -0.81 0.00 0.00 33.47 30.12 1afc s TRP 107 CO 0.36 0.18 0.71 1.19 -0.51 0.00 0.00 176.95 178.89 1afc n PHE 108 N 3.66 -2.27 -3.66 -1.98 3.01 -1.26 -1.47 117.46 113.48 1afc n PHE 108 Ca -0.08 -1.93 -0.37 0.00 1.01 0.00 0.00 57.45 56.07 1afc n PHE 108 Cb 0.52 -0.50 -0.12 0.00 -0.01 0.00 0.00 39.48 39.38 1afc n PHE 108 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1afc s VAL 109 N -2.27 4.92 0.21 -4.37 1.01 -1.05 -4.54 120.40 114.30 1afc s VAL 109 Ca 0.54 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 1afc s VAL 109 Cb -0.04 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1afc s VAL 109 CO 0.34 0.29 0.60 -0.83 0.00 0.00 0.00 175.10 175.50 1afc s GLY 110 N 1.67 -0.23 -0.02 4.51 0.00 -1.26 -4.38 107.32 107.61 1afc s GLY 110 Ca 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.77 1afc s GLY 110 CO 0.08 -0.10 -0.14 1.08 0.00 0.00 0.00 173.10 174.02 1afc s LEU 111 N -2.85 1.95 0.52 0.66 1.43 -1.12 0.22 118.68 119.47 1afc s LEU 111 Ca 0.08 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 1afc s LEU 111 Cb -0.02 -0.77 -0.07 0.00 0.03 0.00 0.00 46.19 45.36 1afc s LEU 111 CO -0.03 0.15 1.05 -0.54 0.23 0.00 0.00 176.35 177.22 1afc s LYS 112 N -0.13 3.62 0.00 1.70 1.02 -0.38 -4.38 119.74 121.20 1afc s LYS 112 Ca 0.01 1.35 0.05 0.00 0.02 0.00 0.00 55.97 57.41 1afc s LYS 112 Cb -0.08 -2.07 0.24 0.00 -0.52 0.00 0.00 37.83 35.40 1afc s LYS 112 CO 0.00 -0.58 1.13 0.36 -0.92 0.00 0.00 175.35 175.35 1afc n LYS 113 N -1.27 0.02 0.00 1.68 -0.00 -1.26 -1.86 118.16 115.47 1afc n LYS 113 Ca 0.09 0.37 0.14 0.00 -0.00 0.00 0.00 58.31 58.92 1afc n LYS 113 Cb 0.52 -1.50 0.69 0.00 -0.00 0.00 0.00 35.03 34.74 1afc n LYS 113 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1afc n ASN 114 N -1.45 0.14 0.00 -5.58 0.23 -1.26 -4.73 115.26 102.61 1afc n ASN 114 Ca 0.02 -0.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 1afc n ASN 114 Cb 0.06 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 1afc n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1afc n GLY 115 N 1.32 2.93 3.66 4.83 0.00 -0.77 -5.01 105.19 112.14 1afc n GLY 115 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1afc n GLY 115 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1afc s ARG 116 N -0.17 4.22 1.00 1.61 3.52 -1.26 -1.27 118.95 126.60 1afc s ARG 116 Ca 0.00 1.92 -0.15 0.00 -0.13 0.00 0.00 55.73 57.37 1afc s ARG 116 Cb 0.00 -3.83 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1afc s ARG 116 CO 0.00 -0.74 0.04 -1.13 -0.81 0.00 0.00 175.30 172.65 1afc n SER 117 N 6.65 -2.78 -4.71 -2.12 3.41 -1.26 -1.25 113.62 111.56 1afc n SER 117 Ca 0.15 0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.60 1afc n SER 117 Cb 0.44 -1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 63.25 1afc n SER 117 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1afc s LYS 118 N -3.27 3.71 0.47 4.33 1.02 0.58 -4.75 119.74 121.82 1afc s LYS 118 Ca 0.53 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.98 1afc s LYS 118 Cb -0.17 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 33.90 1afc s LYS 118 CO 0.69 0.47 1.43 1.28 -0.92 0.00 0.00 175.35 178.31 1afc n LEU 119 N 2.92 5.24 0.00 3.17 4.77 -1.26 -4.54 117.00 127.30 1afc n LEU 119 Ca -0.18 1.10 -0.10 0.00 -0.03 0.00 0.00 56.01 56.81 1afc n LEU 119 Cb 0.53 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1afc n LEU 119 CO 0.33 -0.18 0.72 1.23 -1.33 0.00 0.00 177.39 178.16 1afc h GLY 120 N 2.19 -0.19 1.40 -0.72 0.00 -1.18 0.37 103.07 104.94 1afc h GLY 120 Ca -0.51 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1afc h GLY 120 CO 0.60 -0.18 0.03 -1.05 0.00 0.00 0.00 176.54 175.94 1afc n PRO 121 N -5.34 0.00 -0.05 4.80 -0.01 -1.26 -1.59 135.00 131.55 1afc n PRO 121 Ca -0.03 0.25 0.09 0.00 -0.01 0.00 0.00 63.50 63.80 1afc n PRO 121 Cb 0.26 -1.53 0.10 0.00 -0.01 0.00 0.00 33.50 32.33 1afc n PRO 121 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1afc n ARG 122 N -1.22 1.69 -3.78 -0.52 5.12 0.12 -5.02 116.66 113.04 1afc n ARG 122 Ca 0.00 -1.70 -0.20 0.00 -1.93 0.00 0.00 57.85 54.02 1afc n ARG 122 Cb 0.03 -1.35 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 1afc n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1afc s THR 123 N -1.38 4.74 -0.26 0.55 -4.23 -0.62 -5.02 115.64 109.42 1afc s THR 123 Ca 0.23 -1.02 -0.27 0.00 -1.18 0.00 0.00 61.69 59.46 1afc s THR 123 Cb 0.15 -3.65 0.16 0.00 1.34 0.00 0.00 72.50 70.50 1afc s THR 123 CO 0.23 -0.26 1.24 -1.38 -0.54 0.00 0.00 174.62 173.91 1afc s HIS 124 N -2.07 -0.21 -0.31 3.99 -3.43 -1.26 -4.85 115.29 107.15 1afc s HIS 124 Ca 0.38 0.44 -0.35 0.00 -0.80 0.00 0.00 55.06 54.73 1afc s HIS 124 Cb -0.09 0.45 -0.12 0.00 -1.43 0.00 0.00 32.58 31.40 1afc s HIS 124 CO 0.30 -0.13 2.12 0.34 -2.00 0.00 0.00 174.74 175.36 1afc n PHE 125 N 1.29 1.73 0.00 0.38 7.35 -1.26 -2.29 117.46 124.67 1afc n PHE 125 Ca -0.08 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1afc n PHE 125 Cb 0.57 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.86 1afc n PHE 125 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1afc n GLY 126 N 6.08 0.97 3.92 7.13 0.00 -1.26 -5.14 105.19 116.89 1afc n GLY 126 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 1afc n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afc s GLN 127 N 0.00 3.35 0.00 1.61 -0.21 -0.97 -4.98 119.66 118.46 1afc s GLN 127 Ca 0.00 -0.07 0.29 0.00 0.02 0.00 0.00 55.36 55.60 1afc s GLN 127 Cb 0.00 -2.45 1.21 0.00 1.00 0.00 0.00 33.01 32.77 1afc s GLN 127 CO 0.00 -0.21 1.87 1.63 -2.12 0.00 0.00 175.29 176.45 1afc n LYS 128 N -2.17 0.40 -0.16 2.91 5.02 -1.26 -3.56 118.16 119.33 1afc n LYS 128 Ca 0.00 -0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.08 1afc n LYS 128 Cb 0.56 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1afc n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afc h ALA 129 N 3.36 0.68 -0.87 7.82 0.00 -1.94 -2.81 119.26 125.50 1afc h ALA 129 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1afc h ALA 129 Cb 0.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1afc h ALA 129 CO 0.00 0.68 0.47 0.82 0.00 0.00 0.00 179.25 181.22 1afc h ILE 130 N 0.87 1.26 -3.13 0.00 2.04 -1.76 -2.98 117.51 113.80 1afc h ILE 130 Ca 0.11 -0.65 -0.56 0.00 1.00 0.00 0.00 64.86 64.76 1afc h ILE 130 Cb 0.80 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1afc h ILE 130 CO 0.07 0.29 0.69 -0.76 0.00 0.00 0.00 178.15 178.44 1afc s LEU 131 N -9.91 4.22 0.25 1.44 1.02 -1.06 -4.40 118.68 110.25 1afc s LEU 131 Ca -0.13 1.61 0.09 0.00 0.02 0.00 0.00 54.13 55.72 1afc s LEU 131 Cb 0.16 -3.55 -0.05 0.00 0.02 0.00 0.00 46.19 42.77 1afc s LEU 131 CO 0.83 -0.57 -0.15 -0.36 0.02 0.00 0.00 176.35 176.13 1afc s PHE 132 N 2.46 2.00 -0.06 0.29 0.40 -1.24 -2.56 117.98 119.27 1afc s PHE 132 Ca 0.51 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1afc s PHE 132 Cb -0.20 -0.96 0.03 0.00 0.51 0.00 0.00 43.02 42.40 1afc s PHE 132 CO 0.17 0.49 -0.01 -1.17 0.70 0.00 0.00 175.22 175.39 1afc s LEU 133 N -3.43 0.87 -0.39 -0.37 2.96 0.24 -0.80 118.68 117.76 1afc s LEU 133 Ca 0.27 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 1afc s LEU 133 Cb -0.01 -0.44 0.02 0.00 0.50 0.00 0.00 46.19 46.25 1afc s LEU 133 CO 0.11 -0.14 1.22 -2.84 -1.32 0.00 0.00 176.35 173.38 1afc s PRO 134 N 1.59 3.80 0.00 0.98 0.02 -1.25 -1.25 135.00 138.88 1afc s PRO 134 Ca -0.01 0.89 0.00 0.00 0.02 0.00 0.00 61.00 61.90 1afc s PRO 134 Cb -0.13 -3.89 0.00 0.00 0.02 0.00 0.00 34.50 30.50 1afc s PRO 134 CO -0.04 -1.28 0.00 1.28 -0.33 0.00 0.00 177.00 176.64 1afc n LEU 135 N 7.83 0.00 0.00 -5.54 4.77 0.11 -4.87 117.00 119.30 1afc n LEU 135 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1afc n LEU 135 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1afc n LEU 135 CO 0.67 -0.12 0.25 -0.81 -1.33 0.00 0.00 177.39 176.05