#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bff s ASP 27 N 0.00 6.52 0.56 4.39 1.01 -1.26 -5.01 116.67 122.88 1bff s ASP 27 Ca 0.00 1.62 -0.21 0.00 0.71 0.00 0.00 52.55 54.67 1bff s ASP 27 Cb 0.00 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1bff s ASP 27 CO 0.00 -0.66 1.18 -0.81 0.21 0.00 0.00 175.17 175.10 1bff n PRO 28 N -1.57 1.33 -4.31 8.23 -0.04 -1.26 -4.65 135.00 132.72 1bff n PRO 28 Ca 0.07 0.50 -0.19 0.00 -0.04 0.00 0.00 63.50 63.83 1bff n PRO 28 Cb 0.54 -2.37 -0.08 0.00 -0.04 0.00 0.00 33.50 31.54 1bff n PRO 28 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bff s LYS 29 N -2.79 1.71 -0.00 0.54 1.02 0.86 -2.58 119.74 118.49 1bff s LYS 29 Ca 0.73 -1.99 0.04 0.00 0.02 0.00 0.00 55.97 54.77 1bff s LYS 29 Cb -0.43 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.01 1bff s LYS 29 CO 0.48 -0.58 -0.11 -0.98 -0.92 0.00 0.00 175.35 173.24 1bff s ARG 30 N -3.60 0.89 -0.48 1.68 1.70 0.20 0.18 118.95 119.52 1bff s ARG 30 Ca 0.38 -0.45 -0.17 0.00 -0.47 0.00 0.00 55.73 55.02 1bff s ARG 30 Cb 0.03 -0.86 0.06 0.00 -0.57 0.00 0.00 34.95 33.61 1bff s ARG 30 CO 0.23 0.23 0.49 -0.51 -1.08 0.00 0.00 175.30 174.66 1bff s LEU 31 N -0.40 5.32 -0.19 -1.89 1.43 -1.26 -0.77 118.68 120.93 1bff s LEU 31 Ca 0.04 -1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 51.76 1bff s LEU 31 Cb -0.05 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1bff s LEU 31 CO -0.00 -0.74 0.82 -0.47 0.23 0.00 0.00 176.35 176.19 1bff s TYR 32 N 2.05 3.39 -0.09 0.29 6.14 -0.46 -1.41 117.35 127.27 1bff s TYR 32 Ca 0.09 1.20 -0.18 0.00 0.64 0.00 0.00 57.07 58.82 1bff s TYR 32 Cb -0.22 -3.01 -0.05 0.00 0.42 0.00 0.00 41.96 39.11 1bff s TYR 32 CO 0.09 -0.27 0.47 0.00 0.64 0.00 0.00 175.55 176.48 1bff h LYS 34 N 6.28 0.76 -5.67 0.00 3.64 -0.53 -1.81 116.57 119.24 1bff h LYS 34 Ca -0.43 -0.05 -0.37 0.00 -1.27 0.00 0.00 60.65 58.54 1bff h LYS 34 Cb 1.19 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 1bff h LYS 34 CO 0.73 0.51 1.04 1.21 -2.27 0.00 0.00 179.45 180.67 1bff s ASN 35 N -6.43 5.36 0.00 4.20 2.47 -1.24 -3.73 114.94 115.57 1bff s ASN 35 Ca -0.10 -1.25 0.00 0.00 0.42 0.00 0.00 52.86 51.93 1bff s ASN 35 Cb 0.18 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1bff s ASN 35 CO 0.76 -2.63 0.00 0.61 -3.72 0.00 0.00 177.10 172.12 1bff n GLY 36 N 6.36 2.52 1.32 1.21 0.00 -1.26 -4.25 105.19 111.09 1bff n GLY 36 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1bff n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bff n GLY 37 N -2.00 0.91 3.88 -0.02 0.00 -0.69 -5.08 105.19 102.20 1bff n GLY 37 Ca 0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1bff n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bff s PHE 38 N -2.04 3.46 -0.07 1.61 0.08 -1.21 -4.66 117.98 115.15 1bff s PHE 38 Ca 0.00 0.72 -0.17 0.00 0.12 0.00 0.00 56.93 57.60 1bff s PHE 38 Cb 0.00 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1bff s PHE 38 CO 0.00 0.37 0.44 -0.06 -0.10 0.00 0.00 175.22 175.87 1bff s PHE 39 N -1.71 3.60 0.14 0.36 0.08 0.95 0.13 117.98 121.52 1bff s PHE 39 Ca 0.43 0.92 -0.31 0.00 0.12 0.00 0.00 56.93 58.09 1bff s PHE 39 Cb -0.12 -2.44 -0.10 0.00 -0.57 0.00 0.00 43.02 39.80 1bff s PHE 39 CO 0.23 0.36 1.64 -1.17 -0.10 0.00 0.00 175.22 176.18 1bff s LEU 40 N -0.08 4.37 -0.05 -0.37 2.96 -0.50 -1.62 118.68 123.39 1bff s LEU 40 Ca 0.24 2.62 0.04 0.00 -0.22 0.00 0.00 54.13 56.82 1bff s LEU 40 Cb -0.16 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1bff s LEU 40 CO 0.11 -0.88 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.49 1bff s ARG 41 N 1.79 2.48 -0.26 1.98 3.52 0.22 -4.49 118.95 124.18 1bff s ARG 41 Ca 0.73 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1bff s ARG 41 Cb -0.43 -2.32 0.07 0.00 -1.56 0.00 0.00 34.95 30.70 1bff s ARG 41 CO 0.32 0.58 -0.04 0.42 -0.81 0.00 0.00 175.30 175.78 1bff s ILE 42 N -0.64 1.68 0.58 4.11 1.01 -0.62 -1.40 121.20 125.93 1bff s ILE 42 Ca 0.10 -1.45 -0.16 0.00 0.00 0.00 0.00 60.65 59.14 1bff s ILE 42 Cb -0.11 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1bff s ILE 42 CO 0.01 -0.20 1.04 -1.00 0.00 0.00 0.00 174.94 174.79 1bff s HIS 43 N 1.30 3.08 0.50 3.97 3.76 0.05 -4.40 115.29 123.55 1bff s HIS 43 Ca -0.03 1.50 0.26 0.00 -0.15 0.00 0.00 55.06 56.64 1bff s HIS 43 Cb -0.19 -2.97 1.53 0.00 1.11 0.00 0.00 32.58 32.06 1bff s HIS 43 CO -0.08 -0.98 2.14 -1.35 -0.85 0.00 0.00 174.74 173.62 1bff h PRO 44 N 0.49 0.00 -0.63 8.40 0.10 -1.87 -1.60 132.00 136.89 1bff h PRO 44 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1bff h PRO 44 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1bff h PRO 44 CO 0.58 0.07 0.00 -0.40 0.10 0.00 0.00 178.00 178.35 1bff n ASP 45 N -3.88 2.68 0.00 -2.05 5.68 -1.26 -4.90 116.55 112.82 1bff n ASP 45 Ca -0.02 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 1bff n ASP 45 Cb 0.17 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 1bff n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bff n GLY 46 N 0.59 1.88 3.77 6.12 0.00 -0.60 -4.96 105.19 111.99 1bff n GLY 46 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1bff n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bff s ARG 47 N -0.40 3.85 -0.03 1.61 0.52 -1.26 0.19 118.95 123.43 1bff s ARG 47 Ca 0.00 1.88 0.06 0.00 -0.52 0.00 0.00 55.73 57.14 1bff s ARG 47 Cb 0.00 -2.54 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 1bff s ARG 47 CO 0.00 -0.50 -0.20 0.08 0.02 0.00 0.00 175.30 174.70 1bff s VAL 48 N -1.45 1.59 0.00 3.52 1.01 -1.26 -0.77 120.40 123.05 1bff s VAL 48 Ca 0.61 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1bff s VAL 48 Cb -0.31 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1bff s VAL 48 CO 0.39 0.45 0.00 -0.90 0.00 0.00 0.00 175.10 175.04 1bff n ASP 49 N 2.79 0.00 -4.12 3.32 5.75 -0.49 -4.59 116.55 119.21 1bff n ASP 49 Ca -0.16 -0.70 -0.16 0.00 -0.01 0.00 0.00 54.79 53.76 1bff n ASP 49 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 1bff n ASP 49 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bff s GLY 50 N -0.83 0.69 0.04 6.12 0.00 -0.54 0.71 107.32 113.51 1bff s GLY 50 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1bff s GLY 50 CO 0.00 -0.90 -0.04 -1.34 0.00 0.00 0.00 173.10 170.82 1bff s VAL 51 N -1.27 0.24 -0.74 1.40 -7.23 -0.64 -4.81 120.40 107.35 1bff s VAL 51 Ca -0.05 -1.27 0.26 0.00 -1.81 0.00 0.00 61.98 59.10 1bff s VAL 51 Cb -0.10 -0.78 0.19 0.00 0.56 0.00 0.00 36.38 36.25 1bff s VAL 51 CO 0.01 -0.66 1.61 0.54 -0.31 0.00 0.00 175.10 176.30 1bff n ARG 52 N 1.02 0.24 -2.39 4.82 1.74 -1.26 -0.04 116.66 120.79 1bff n ARG 52 Ca -0.20 0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 1bff n ARG 52 Cb 0.57 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1bff n ARG 52 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1bff s GLU 53 N -3.11 3.09 0.00 5.56 2.56 -1.26 -4.89 118.70 120.64 1bff s GLU 53 Ca 0.09 0.14 0.09 0.00 0.00 0.00 0.00 54.97 55.29 1bff s GLU 53 Cb 0.13 -4.21 0.52 0.00 2.00 0.00 0.00 34.13 32.58 1bff s GLU 53 CO 0.64 -2.23 1.20 0.36 -0.56 0.00 0.00 175.26 174.67 1bff n LYS 54 N 9.14 0.83 0.00 4.30 2.85 -1.26 -2.12 118.16 131.90 1bff n LYS 54 Ca 0.09 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.41 1bff n LYS 54 Cb 0.50 -1.16 -0.01 0.00 -0.65 0.00 0.00 35.03 33.71 1bff n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1bff n SER 55 N -0.66 1.20 -4.62 -5.58 3.41 -1.26 -4.93 113.62 101.18 1bff n SER 55 Ca 0.07 -1.10 -0.43 0.00 -0.26 0.00 0.00 58.87 57.15 1bff n SER 55 Cb 0.03 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1bff n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bff s ASP 56 N -1.50 5.85 0.26 4.04 -1.08 -0.90 -4.81 116.67 118.53 1bff s ASP 56 Ca 0.09 2.11 0.15 0.00 -0.52 0.00 0.00 52.55 54.37 1bff s ASP 56 Cb 0.09 -2.52 0.81 0.00 -1.46 0.00 0.00 42.92 39.84 1bff s ASP 56 CO 0.29 -1.61 1.41 -0.81 0.52 0.00 0.00 175.17 174.97 1bff n PRO 57 N 8.28 0.10 0.00 4.34 -0.04 -1.26 -1.61 135.00 144.81 1bff n PRO 57 Ca 0.26 0.58 0.15 0.00 -0.04 0.00 0.00 63.50 64.44 1bff n PRO 57 Cb 0.44 -1.93 0.79 0.00 -0.04 0.00 0.00 33.50 32.75 1bff n PRO 57 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bff n HIS 58 N -2.04 0.00 1.09 0.54 8.25 -1.26 -3.13 115.22 118.67 1bff n HIS 58 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1bff n HIS 58 Cb 0.14 -0.12 0.15 0.00 1.12 0.00 0.00 29.99 31.27 1bff n HIS 58 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bff n ILE 59 N -0.97 0.00 -2.61 1.59 -5.35 -0.63 -1.58 119.36 109.81 1bff n ILE 59 Ca 0.19 -0.13 -0.42 0.00 -0.27 0.00 0.00 62.75 62.11 1bff n ILE 59 Cb 0.20 0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 1bff n ILE 59 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bff s LYS 60 N -2.64 4.39 0.08 6.28 1.02 -1.18 -4.45 119.74 123.23 1bff s LYS 60 Ca 0.18 1.49 0.09 0.00 0.02 0.00 0.00 55.97 57.74 1bff s LYS 60 Cb 0.18 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1bff s LYS 60 CO 0.62 -0.38 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.94 1bff s LEU 61 N 2.15 2.24 -0.34 3.17 1.43 0.13 -1.02 118.68 126.44 1bff s LEU 61 Ca 0.51 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1bff s LEU 61 Cb -0.20 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.04 1bff s LEU 61 CO 0.19 0.14 0.12 -1.58 0.23 0.00 0.00 176.35 175.44 1bff s GLN 62 N -1.62 2.62 -0.41 1.70 0.74 0.23 -0.10 119.66 122.83 1bff s GLN 62 Ca 0.09 -1.19 -0.21 0.00 0.05 0.00 0.00 55.36 54.09 1bff s GLN 62 Cb -0.10 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.54 1bff s GLN 62 CO 0.03 -0.68 0.67 -0.51 -0.55 0.00 0.00 175.29 174.25 1bff s LEU 63 N 1.41 4.35 -0.21 3.68 1.02 -1.26 -1.22 118.68 126.45 1bff s LEU 63 Ca -0.01 -0.10 -0.09 0.00 0.02 0.00 0.00 54.13 53.95 1bff s LEU 63 Cb -0.20 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.16 1bff s LEU 63 CO 0.03 -0.74 0.10 -1.10 0.02 0.00 0.00 176.35 174.66 1bff s GLN 64 N 2.89 4.02 -0.93 1.70 -0.21 0.23 -4.85 119.66 122.51 1bff s GLN 64 Ca 0.25 -0.31 -0.25 0.00 0.02 0.00 0.00 55.36 55.07 1bff s GLN 64 Cb -0.14 -3.36 -0.07 0.00 1.00 0.00 0.00 33.01 30.44 1bff s GLN 64 CO 0.18 0.18 2.03 0.00 -2.12 0.00 0.00 175.29 175.56 1bff s ALA 65 N 0.67 1.47 -1.34 6.09 0.00 -1.26 -0.71 121.76 126.68 1bff s ALA 65 Ca 0.05 -1.47 0.24 0.00 0.00 0.00 0.00 51.96 50.79 1bff s ALA 65 Cb -0.13 -4.58 1.19 0.00 0.00 0.00 0.00 23.12 19.60 1bff s ALA 65 CO 0.01 -5.14 1.80 0.39 0.00 0.00 0.00 175.76 172.83 1bff n GLU 66 N 8.75 0.27 0.00 0.00 -0.58 0.38 -4.88 120.64 124.59 1bff n GLU 66 Ca 0.42 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1bff n GLU 66 Cb 0.46 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1bff n GLU 66 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1bff n GLU 67 N -1.33 0.00 -1.66 3.49 2.13 -0.72 -4.97 120.64 117.58 1bff n GLU 67 Ca 0.10 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.48 1bff n GLU 67 Cb 0.21 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.88 1bff n GLU 67 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1bff n ARG 68 N -0.39 2.54 -0.79 5.31 0.63 -1.26 -0.45 116.66 122.26 1bff n ARG 68 Ca 0.00 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 1bff n ARG 68 Cb 0.00 -2.89 0.00 0.00 0.45 0.00 0.00 32.46 30.02 1bff n ARG 68 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bff n GLY 69 N 4.63 1.39 3.06 5.14 0.00 -1.26 -5.01 105.19 113.14 1bff n GLY 69 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1bff n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bff s VAL 70 N -3.77 1.33 0.11 1.61 1.01 0.41 -1.12 120.40 119.99 1bff s VAL 70 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1bff s VAL 70 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1bff s VAL 70 CO 0.00 0.40 -0.16 0.68 0.00 0.00 0.00 175.10 176.02 1bff s VAL 71 N 0.62 1.46 -0.06 2.92 -7.23 -0.48 0.14 120.40 117.77 1bff s VAL 71 Ca -0.15 -1.63 -0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1bff s VAL 71 Cb -0.16 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1bff s VAL 71 CO 0.05 -0.28 -0.02 -0.94 -0.31 0.00 0.00 175.10 173.60 1bff s SER 72 N -2.22 5.06 -0.26 4.85 1.04 0.11 -1.61 113.70 120.68 1bff s SER 72 Ca 0.07 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.53 1bff s SER 72 Cb -0.07 -1.36 0.02 0.00 0.10 0.00 0.00 66.02 64.70 1bff s SER 72 CO 0.04 0.35 -0.02 -0.63 0.98 0.00 0.00 173.24 173.96 1bff s ILE 73 N -0.92 3.24 -0.11 -1.02 1.01 -1.26 -0.60 121.20 121.54 1bff s ILE 73 Ca 0.15 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1bff s ILE 73 Cb -0.11 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1bff s ILE 73 CO 0.04 0.20 -0.10 -0.75 0.00 0.00 0.00 174.94 174.33 1bff s LYS 74 N 1.39 3.17 -0.28 2.79 2.20 -0.36 0.73 119.74 129.38 1bff s LYS 74 Ca 0.02 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.76 1bff s LYS 74 Cb -0.16 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1bff s LYS 74 CO -0.02 0.38 0.83 0.20 -0.36 0.00 0.00 175.35 176.38 1bff s GLY 75 N -0.07 1.71 0.09 5.54 0.00 -0.19 0.76 107.32 115.16 1bff s GLY 75 Ca -0.01 -0.27 -0.34 0.00 0.00 0.00 0.00 44.72 44.10 1bff s GLY 75 CO 0.03 1.83 1.58 -2.08 0.00 0.00 0.00 173.10 174.46 1bff h VAL 76 N 5.54 0.08 -0.49 1.40 2.07 -1.40 0.62 116.25 124.09 1bff h VAL 76 Ca -0.23 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1bff h VAL 76 Cb 1.09 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1bff h VAL 76 CO 0.89 0.00 0.07 0.00 0.02 0.00 0.00 177.57 178.55 1bff h ALA 78 N 0.96 1.32 -4.11 0.00 0.00 -1.74 -3.46 119.26 112.23 1bff h ALA 78 Ca 0.15 -0.26 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 1bff h ALA 78 Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bff h ALA 78 CO 0.01 0.35 -0.50 -1.71 0.00 0.00 0.00 179.25 177.40 1bff n ASN 79 N -3.89 -5.05 -4.30 0.00 5.15 0.22 -4.77 115.26 102.62 1bff n ASN 79 Ca -0.02 -0.11 -0.22 0.00 -0.60 0.00 0.00 54.58 53.63 1bff n ASN 79 Cb 0.36 -4.17 -0.12 0.00 -0.53 0.00 0.00 39.78 35.32 1bff n ASN 79 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bff s ARG 80 N -5.41 1.17 -0.18 1.20 1.81 -1.21 -4.80 118.95 111.51 1bff s ARG 80 Ca 0.16 -1.26 -0.08 0.00 -1.72 0.00 0.00 55.73 52.83 1bff s ARG 80 Cb -0.08 -1.30 -0.04 0.00 -0.45 0.00 0.00 34.95 33.08 1bff s ARG 80 CO 0.20 0.28 0.08 0.71 -0.68 0.00 0.00 175.30 175.89 1bff s TYR 81 N -1.63 3.29 0.35 -0.53 1.51 -0.04 -1.02 117.35 119.27 1bff s TYR 81 Ca 0.10 0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 56.02 1bff s TYR 81 Cb -0.08 -2.09 -0.12 0.00 -0.11 0.00 0.00 41.96 39.56 1bff s TYR 81 CO 0.05 0.20 1.41 -0.11 -1.11 0.00 0.00 175.55 175.99 1bff n LEU 82 N 3.49 4.17 -3.88 -1.29 7.94 0.22 -1.39 117.00 126.27 1bff n LEU 82 Ca -0.16 1.21 -0.10 0.00 -1.11 0.00 0.00 56.01 55.84 1bff n LEU 82 Cb 0.52 -1.55 -0.09 0.00 0.53 0.00 0.00 43.42 42.83 1bff n LEU 82 CO 0.36 -0.14 -0.16 0.00 -1.11 0.00 0.00 177.39 176.35 1bff s ALA 83 N -0.97 -0.26 -0.12 1.96 0.00 0.21 -4.46 121.76 118.12 1bff s ALA 83 Ca 0.56 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1bff s ALA 83 Cb -0.52 0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1bff s ALA 83 CO 0.61 -0.30 -0.16 1.41 0.00 0.00 0.00 175.76 177.33 1bff s MET 84 N -2.21 2.34 0.41 0.00 1.75 -0.77 -1.78 119.30 119.04 1bff s MET 84 Ca -0.08 -0.60 -0.07 0.00 -1.25 0.00 0.00 55.69 53.69 1bff s MET 84 Cb -0.03 -2.00 -0.05 0.00 2.84 0.00 0.00 34.83 35.59 1bff s MET 84 CO -0.02 -0.10 0.73 0.15 -0.65 0.00 0.00 175.02 175.13 1bff s LYS 85 N 1.08 3.65 0.61 4.11 -0.14 0.11 -4.78 119.74 124.39 1bff s LYS 85 Ca -0.04 0.25 0.39 0.00 -1.36 0.00 0.00 55.97 55.21 1bff s LYS 85 Cb -0.14 -2.44 2.10 0.00 -1.68 0.00 0.00 37.83 35.67 1bff s LYS 85 CO -0.04 -0.05 2.18 1.05 -0.76 0.00 0.00 175.35 177.74 1bff h GLU 86 N 0.92 0.00 -0.39 1.68 4.11 -2.00 0.98 114.58 119.88 1bff h GLU 86 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1bff h GLU 86 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bff h GLU 86 CO 0.63 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.31 1bff n ASP 87 N -2.91 3.50 0.00 3.06 5.68 -1.26 -4.94 116.55 119.68 1bff n ASP 87 Ca -0.03 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1bff n ASP 87 Cb 0.12 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1bff n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bff n GLY 88 N 1.52 1.07 3.75 6.12 0.00 0.34 -4.70 105.19 113.30 1bff n GLY 88 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1bff n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bff s ARG 89 N -0.59 4.38 -0.21 1.61 0.52 -1.25 -0.77 118.95 122.64 1bff s ARG 89 Ca 0.00 2.12 -0.06 0.00 -0.52 0.00 0.00 55.73 57.27 1bff s ARG 89 Cb 0.00 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 1bff s ARG 89 CO 0.00 -0.22 0.04 -1.17 0.02 0.00 0.00 175.30 173.98 1bff s LEU 90 N -0.80 3.49 0.18 2.53 2.96 -1.26 0.09 118.68 125.86 1bff s LEU 90 Ca 0.54 -0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 54.18 1bff s LEU 90 Cb -0.38 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.43 1bff s LEU 90 CO 0.44 0.06 0.44 -1.48 -1.32 0.00 0.00 176.35 174.50 1bff s LEU 91 N 1.01 0.36 -0.21 -0.68 0.05 -0.73 -4.55 118.68 113.94 1bff s LEU 91 Ca 0.03 -0.56 -0.04 0.00 0.05 0.00 0.00 54.13 53.62 1bff s LEU 91 Cb -0.14 1.85 -0.01 0.00 -2.05 0.00 0.00 46.19 45.84 1bff s LEU 91 CO 0.03 -0.98 -0.05 0.00 -0.55 0.00 0.00 176.35 174.79 1bff s ALA 92 N -3.89 2.81 -0.01 1.48 0.00 0.49 -0.62 121.76 122.03 1bff s ALA 92 Ca 0.10 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1bff s ALA 92 Cb 0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1bff s ALA 92 CO -0.03 -0.34 0.12 -1.54 0.00 0.00 0.00 175.76 173.96 1bff s SER 93 N 1.32 5.92 0.36 0.00 1.04 -0.49 -4.12 113.70 117.73 1bff s SER 93 Ca 0.04 0.22 0.12 0.00 0.48 0.00 0.00 55.95 56.80 1bff s SER 93 Cb -0.14 -1.76 0.67 0.00 0.10 0.00 0.00 66.02 64.89 1bff s SER 93 CO -0.02 0.27 1.81 0.11 0.98 0.00 0.00 173.24 176.39 1bff h LYS 94 N 4.02 0.04 -5.65 4.02 1.57 -1.88 -0.08 116.57 118.61 1bff h LYS 94 Ca -0.49 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 57.67 1bff h LYS 94 Cb 1.19 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 1bff h LYS 94 CO 0.64 0.41 -0.31 0.00 -0.57 0.00 0.00 179.45 179.63 1bff s VAL 96 N -0.13 4.00 0.34 0.00 1.01 -1.26 -4.84 120.40 119.51 1bff s VAL 96 Ca 0.18 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.63 1bff s VAL 96 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1bff s VAL 96 CO 0.06 0.12 0.41 0.42 0.00 0.00 0.00 175.10 176.11 1bff s THR 97 N 0.97 0.00 -1.40 3.92 -4.23 -1.26 -5.02 115.64 108.62 1bff s THR 97 Ca 0.58 -1.74 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1bff s THR 97 Cb -0.30 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.21 1bff s THR 97 CO 0.30 0.00 1.45 -0.90 -0.54 0.00 0.00 174.62 174.93 1bff n ASP 98 N -1.45 0.00 -0.92 3.99 5.75 -1.26 0.23 116.55 122.89 1bff n ASP 98 Ca 0.03 0.09 0.10 0.00 -0.01 0.00 0.00 54.79 55.01 1bff n ASP 98 Cb 0.62 -0.30 0.27 0.00 -1.03 0.00 0.00 41.12 40.68 1bff n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bff n GLU 99 N -1.30 2.18 -0.15 0.11 1.02 -1.26 -4.11 120.64 117.13 1bff n GLU 99 Ca 0.07 -1.81 0.11 0.00 -0.02 0.00 0.00 57.16 55.52 1bff n GLU 99 Cb 0.13 -1.44 0.28 0.00 -0.02 0.00 0.00 31.44 30.39 1bff n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bff s PHE 101 N -1.61 2.97 0.03 0.00 0.08 -1.26 -4.25 117.98 113.95 1bff s PHE 101 Ca 0.35 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.38 1bff s PHE 101 Cb 0.20 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1bff s PHE 101 CO 0.28 0.27 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.55 1bff s PHE 102 N -0.59 0.50 -0.08 0.36 0.40 -0.63 -1.36 117.98 116.58 1bff s PHE 102 Ca 0.09 -0.54 -0.22 0.00 -0.60 0.00 0.00 56.93 55.66 1bff s PHE 102 Cb -0.12 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 1bff s PHE 102 CO 0.02 -0.14 0.63 -0.06 0.70 0.00 0.00 175.22 176.37 1bff s PHE 103 N -1.54 3.55 -0.20 0.36 0.08 0.23 -1.38 117.98 119.09 1bff s PHE 103 Ca -0.11 1.13 -0.13 0.00 0.12 0.00 0.00 56.93 57.93 1bff s PHE 103 Cb -0.09 -2.72 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 1bff s PHE 103 CO -0.01 0.11 0.27 -2.00 -0.10 0.00 0.00 175.22 173.50 1bff s GLU 104 N 0.76 4.18 -0.03 0.44 2.12 -0.27 -1.33 118.70 124.56 1bff s GLU 104 Ca 0.34 -0.00 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1bff s GLU 104 Cb -0.17 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1bff s GLU 104 CO 0.15 0.12 -0.09 0.50 -0.54 0.00 0.00 175.26 175.40 1bff s ARG 105 N 0.85 1.00 -0.58 4.30 3.52 -0.61 -4.81 118.95 122.62 1bff s ARG 105 Ca 0.14 -0.31 -0.23 0.00 -0.13 0.00 0.00 55.73 55.20 1bff s ARG 105 Cb -0.13 -0.93 0.05 0.00 -1.56 0.00 0.00 34.95 32.38 1bff s ARG 105 CO 0.04 0.11 0.90 -1.17 -0.81 0.00 0.00 175.30 174.37 1bff s LEU 106 N 0.23 4.32 1.04 -0.88 2.96 -1.26 -1.70 118.68 123.38 1bff s LEU 106 Ca -0.04 -0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 53.12 1bff s LEU 106 Cb -0.09 -2.65 0.21 0.00 0.50 0.00 0.00 46.19 44.16 1bff s LEU 106 CO 0.01 -1.24 1.07 -1.61 -1.32 0.00 0.00 176.35 173.25 1bff s GLU 107 N 3.79 0.10 0.51 1.98 0.41 0.43 -4.88 118.70 121.03 1bff s GLU 107 Ca 0.26 0.74 0.18 0.00 -0.41 0.00 0.00 54.97 55.74 1bff s GLU 107 Cb -0.15 -1.68 1.29 0.00 -1.78 0.00 0.00 34.13 31.81 1bff s GLU 107 CO 0.15 -3.01 2.11 0.66 -0.49 0.00 0.00 175.26 174.68 1bff h SER 108 N -2.11 0.00 0.03 -0.19 4.64 -1.96 -0.65 113.55 113.32 1bff h SER 108 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1bff h SER 108 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1bff h SER 108 CO 0.53 0.06 -0.00 -0.46 -0.87 0.00 0.00 176.83 176.10 1bff n ASN 109 N -4.31 0.11 -0.17 4.97 0.23 -1.26 -4.88 115.26 109.95 1bff n ASN 109 Ca -0.03 -0.98 -0.02 0.00 -0.53 0.00 0.00 54.58 53.02 1bff n ASN 109 Cb 0.15 -0.02 -0.01 0.00 -2.08 0.00 0.00 39.78 37.82 1bff n ASN 109 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1bff n ASN 110 N -0.93 -3.23 -4.88 0.53 3.02 -0.25 -5.05 115.26 104.47 1bff n ASN 110 Ca 0.23 0.05 -0.23 0.00 -0.03 0.00 0.00 54.58 54.60 1bff n ASN 110 Cb 0.14 -0.97 -0.04 0.00 -0.61 0.00 0.00 39.78 38.30 1bff n ASN 110 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1bff s TYR 111 N -2.08 3.28 0.23 3.10 1.51 -1.26 -4.87 117.35 117.25 1bff s TYR 111 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1bff s TYR 111 Cb 0.00 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1bff s TYR 111 CO 0.00 0.50 0.41 -0.80 -1.11 0.00 0.00 175.55 174.55 1bff s ASN 112 N -3.59 6.37 0.06 2.29 -0.87 0.11 -0.43 114.94 118.87 1bff s ASN 112 Ca 0.33 0.38 0.03 0.00 -1.57 0.00 0.00 52.86 52.03 1bff s ASN 112 Cb -0.09 -2.00 -0.03 0.00 -0.02 0.00 0.00 41.25 39.11 1bff s ASN 112 CO 0.26 -0.09 -0.10 0.42 -2.57 0.00 0.00 177.10 175.03 1bff s THR 113 N -1.95 0.77 -0.27 1.60 -4.23 -0.69 -1.20 115.64 109.67 1bff s THR 113 Ca 0.38 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1bff s THR 113 Cb -0.11 -0.93 0.08 0.00 1.34 0.00 0.00 72.50 72.88 1bff s THR 113 CO 0.30 -0.40 0.03 -0.31 -0.54 0.00 0.00 174.62 173.69 1bff s TYR 114 N -1.68 2.15 -0.11 3.99 2.02 -1.26 -1.57 117.35 120.90 1bff s TYR 114 Ca -0.04 -1.79 -0.02 0.00 -0.37 0.00 0.00 57.07 54.85 1bff s TYR 114 Cb -0.08 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1bff s TYR 114 CO 0.01 -0.81 -0.02 0.50 -1.57 0.00 0.00 175.55 173.66 1bff s ARG 115 N 1.47 3.18 0.01 -0.62 3.52 -0.44 -0.29 118.95 125.78 1bff s ARG 115 Ca 0.03 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 1bff s ARG 115 Cb -0.18 -2.81 -0.07 0.00 -1.56 0.00 0.00 34.95 30.33 1bff s ARG 115 CO -0.13 0.54 1.75 0.45 -0.81 0.00 0.00 175.30 177.10 1bff s SER 116 N -0.45 6.58 0.50 -2.12 0.15 0.27 0.78 113.70 119.41 1bff s SER 116 Ca 0.08 2.44 0.26 0.00 0.70 0.00 0.00 55.95 59.43 1bff s SER 116 Cb -0.12 -2.54 1.35 0.00 -1.71 0.00 0.00 66.02 63.00 1bff s SER 116 CO 0.02 -0.95 2.04 -0.09 1.20 0.00 0.00 173.24 175.45 1bff h ARG 117 N 9.48 0.00 0.00 5.44 2.43 -1.55 -2.75 114.38 127.43 1bff h ARG 117 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1bff h ARG 117 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1bff h ARG 117 CO 0.94 0.14 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.96 1bff h LYS 118 N 0.00 0.00 -2.61 0.20 3.64 -1.81 -3.41 116.57 112.58 1bff h LYS 118 Ca -0.00 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.63 1bff h LYS 118 Cb 0.38 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.06 1bff h LYS 118 CO 0.02 0.00 2.23 0.66 -2.27 0.00 0.00 179.45 180.09 1bff n TYR 119 N -4.58 2.63 0.22 1.91 4.01 -1.23 -4.93 117.16 115.19 1bff n TYR 119 Ca -0.05 -2.79 0.00 0.00 -0.16 0.00 0.00 57.90 54.90 1bff n TYR 119 Cb 0.19 -1.76 0.00 0.00 -0.31 0.00 0.00 39.34 37.46 1bff n TYR 119 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bff n THR 120 N 1.57 0.00 0.36 -0.72 -2.24 -1.04 -0.39 114.28 111.82 1bff n THR 120 Ca 0.60 0.73 0.08 0.00 -2.27 0.00 0.00 64.05 63.18 1bff n THR 120 Cb 0.25 -1.52 0.12 0.00 -2.10 0.00 0.00 70.33 67.08 1bff n THR 120 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bff n SER 121 N -1.88 2.65 -4.75 3.42 3.41 -1.26 -4.79 113.62 110.42 1bff n SER 121 Ca 0.00 -1.77 -0.36 0.00 -0.26 0.00 0.00 58.87 56.48 1bff n SER 121 Cb 0.73 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 1bff n SER 121 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1bff s TRP 122 N -1.22 3.41 0.18 7.33 0.51 0.47 -4.63 118.94 124.99 1bff s TRP 122 Ca 0.23 0.32 0.10 0.00 -2.12 0.00 0.00 56.10 54.63 1bff s TRP 122 Cb 0.15 -2.02 -0.04 0.00 -0.81 0.00 0.00 33.47 30.74 1bff s TRP 122 CO 0.21 0.43 -0.16 0.71 -0.51 0.00 0.00 176.95 177.63 1bff s TYR 123 N -0.26 2.50 0.14 -1.98 1.51 -1.26 0.95 117.35 118.93 1bff s TYR 123 Ca 0.10 -0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.57 1bff s TYR 123 Cb -0.12 -1.23 -0.08 0.00 -0.11 0.00 0.00 41.96 40.43 1bff s TYR 123 CO 0.01 0.50 1.31 0.08 -1.11 0.00 0.00 175.55 176.34 1bff s VAL 124 N -1.67 3.45 0.12 0.71 1.01 0.61 -4.66 120.40 119.97 1bff s VAL 124 Ca 0.23 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 1bff s VAL 124 Cb -0.08 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.67 1bff s VAL 124 CO 0.13 0.12 0.65 0.00 0.00 0.00 0.00 175.10 175.99 1bff s ALA 125 N 0.69 -1.64 -0.02 5.51 0.00 -1.26 -4.58 121.76 120.45 1bff s ALA 125 Ca 0.60 0.63 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1bff s ALA 125 Cb -0.35 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1bff s ALA 125 CO 0.33 -0.73 -0.13 -0.51 0.00 0.00 0.00 175.76 174.72 1bff s LEU 126 N -2.59 1.93 0.69 0.00 1.43 -0.71 -0.64 118.68 118.80 1bff s LEU 126 Ca 0.01 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1bff s LEU 126 Cb -0.01 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.50 1bff s LEU 126 CO -0.11 0.13 1.06 -0.54 0.23 0.00 0.00 176.35 177.13 1bff s LYS 127 N -0.09 2.92 0.23 1.70 1.02 0.02 -4.47 119.74 121.07 1bff s LYS 127 Ca 0.01 1.00 0.15 0.00 0.02 0.00 0.00 55.97 57.15 1bff s LYS 127 Cb -0.08 -1.99 0.81 0.00 -0.52 0.00 0.00 37.83 36.06 1bff s LYS 127 CO 0.00 -1.11 1.45 0.54 -0.92 0.00 0.00 175.35 175.31 1bff n ARG 128 N -3.04 0.10 0.00 1.68 1.74 -1.26 -0.66 116.66 115.21 1bff n ARG 128 Ca 0.08 0.59 0.14 0.00 -0.77 0.00 0.00 57.85 57.89 1bff n ARG 128 Cb 0.53 -1.84 0.53 0.00 -1.02 0.00 0.00 32.46 30.66 1bff n ARG 128 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1bff n THR 129 N -2.02 0.00 -0.52 0.55 -2.24 -1.26 -4.90 114.28 103.89 1bff n THR 129 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1bff n THR 129 Cb 0.04 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1bff n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bff n GLY 130 N 1.24 1.09 3.91 3.38 0.00 0.17 -5.01 105.19 109.96 1bff n GLY 130 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1bff n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bff s GLN 131 N -0.34 3.32 0.49 1.61 -1.52 -1.26 -1.46 119.66 120.50 1bff s GLN 131 Ca 0.00 0.11 -0.12 0.00 -1.95 0.00 0.00 55.36 53.40 1bff s GLN 131 Cb 0.00 -2.34 -0.06 0.00 -0.22 0.00 0.00 33.01 30.38 1bff s GLN 131 CO 0.00 -0.38 0.90 1.52 -0.25 0.00 0.00 175.29 177.08 1bff s TYR 132 N -2.83 3.50 -0.14 0.91 -0.85 -1.26 -0.80 117.35 115.88 1bff s TYR 132 Ca 0.50 1.23 -0.12 0.00 -0.52 0.00 0.00 57.07 58.16 1bff s TYR 132 Cb -0.10 -2.61 -0.05 0.00 0.38 0.00 0.00 41.96 39.58 1bff s TYR 132 CO 0.45 -0.32 0.25 0.21 -1.52 0.00 0.00 175.55 174.62 1bff s LYS 133 N -4.24 4.04 0.25 -3.49 2.20 0.19 -4.56 119.74 114.13 1bff s LYS 133 Ca 0.54 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 1bff s LYS 133 Cb -0.10 -3.35 -0.14 0.00 -1.51 0.00 0.00 37.83 32.73 1bff s LYS 133 CO 0.36 0.41 1.21 1.28 -0.36 0.00 0.00 175.35 178.26 1bff n LEU 134 N 3.02 2.35 -0.21 5.43 4.77 -1.26 -4.55 117.00 126.55 1bff n LEU 134 Ca -0.14 1.16 0.02 0.00 -0.03 0.00 0.00 56.01 57.01 1bff n LEU 134 Cb 0.53 -1.34 0.12 0.00 -2.33 0.00 0.00 43.42 40.40 1bff n LEU 134 CO 0.37 -0.97 0.90 1.23 -1.33 0.00 0.00 177.39 177.59 1bff h GLY 135 N 3.17 0.78 1.88 -0.72 0.00 -1.22 -1.73 103.07 105.23 1bff h GLY 135 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1bff h GLY 135 CO 0.68 -0.16 0.00 -1.14 0.00 0.00 0.00 176.54 175.93 1bff n SER 136 N -5.18 0.00 -0.62 0.19 3.41 -1.26 -2.03 113.62 108.13 1bff n SER 136 Ca 0.10 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 1bff n SER 136 Cb 0.36 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 63.96 1bff n SER 136 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bff n LYS 137 N -1.44 1.32 -3.14 4.33 5.02 -0.65 -5.01 118.16 118.60 1bff n LYS 137 Ca 0.03 -1.51 -0.27 0.00 -2.02 0.00 0.00 58.31 54.54 1bff n LYS 137 Cb 0.11 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1bff n LYS 137 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bff s THR 138 N -1.17 5.00 0.00 -0.18 -4.23 -0.86 -5.03 115.64 109.16 1bff s THR 138 Ca 0.19 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1bff s THR 138 Cb 0.13 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1bff s THR 138 CO 0.19 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1bff n GLY 139 N -1.52 0.43 3.77 3.99 0.00 -1.26 -4.81 105.19 105.78 1bff n GLY 139 Ca -0.02 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1bff n GLY 139 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bff s PRO 140 N -2.00 4.02 0.00 1.61 0.02 -1.26 -2.97 135.00 134.42 1bff s PRO 140 Ca 0.00 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1bff s PRO 140 Cb 0.00 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1bff s PRO 140 CO 0.00 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 1bff n GLY 141 N 0.64 2.76 3.83 0.52 0.00 -1.26 -5.08 105.19 106.60 1bff n GLY 141 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1bff n GLY 141 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bff s GLN 142 N -0.47 4.16 0.17 1.61 -0.21 -1.16 -4.97 119.66 118.80 1bff s GLN 142 Ca 0.00 0.88 -0.07 0.00 0.02 0.00 0.00 55.36 56.19 1bff s GLN 142 Cb 0.00 -2.48 0.04 0.00 1.00 0.00 0.00 33.01 31.58 1bff s GLN 142 CO 0.00 0.16 1.51 0.87 -2.12 0.00 0.00 175.29 175.71 1bff h LYS 143 N 2.46 0.79 -0.49 2.91 1.57 -1.97 -3.06 116.57 118.78 1bff h LYS 143 Ca -0.48 -0.43 0.14 0.00 -1.87 0.00 0.00 60.65 58.01 1bff h LYS 143 Cb 1.18 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1bff h LYS 143 CO 0.64 1.06 0.74 0.00 -0.57 0.00 0.00 179.45 181.31 1bff h ALA 144 N 0.88 2.23 0.00 3.86 0.00 -1.94 0.20 119.26 124.50 1bff h ALA 144 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bff h ALA 144 Cb 0.99 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bff h ALA 144 CO 0.09 -0.99 -1.00 0.44 0.00 0.00 0.00 179.25 177.80 1bff n ILE 145 N -3.27 0.08 -2.95 0.00 -5.35 -1.15 -1.74 119.36 104.97 1bff n ILE 145 Ca 0.10 -0.15 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 1bff n ILE 145 Cb 0.91 0.44 -0.04 0.00 -1.74 0.00 0.00 39.64 39.21 1bff n ILE 145 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bff s LEU 146 N -3.53 4.22 0.12 7.28 1.43 0.69 -4.56 118.68 124.33 1bff s LEU 146 Ca 0.05 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.38 1bff s LEU 146 Cb 0.15 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 1bff s LEU 146 CO 0.81 -0.30 -0.13 -0.36 0.23 0.00 0.00 176.35 176.61 1bff s PHE 147 N 1.68 1.33 -0.21 0.29 0.40 -0.34 0.13 117.98 121.26 1bff s PHE 147 Ca 0.38 -0.60 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1bff s PHE 147 Cb -0.17 -0.69 0.06 0.00 0.51 0.00 0.00 43.02 42.73 1bff s PHE 147 CO 0.15 0.12 0.01 -1.17 0.70 0.00 0.00 175.22 175.03 1bff s LEU 148 N -2.59 1.65 0.33 -0.37 2.96 0.79 0.04 118.68 121.48 1bff s LEU 148 Ca 0.10 -0.96 -0.27 0.00 -0.22 0.00 0.00 54.13 52.77 1bff s LEU 148 Cb -0.03 -0.78 -0.09 0.00 0.50 0.00 0.00 46.19 45.78 1bff s LEU 148 CO 0.02 -0.29 1.09 -2.84 -1.32 0.00 0.00 176.35 173.02 1bff s PRO 149 N 1.71 4.44 0.10 0.98 0.02 -1.26 -1.35 135.00 139.64 1bff s PRO 149 Ca -0.02 1.72 0.02 0.00 0.02 0.00 0.00 61.00 62.74 1bff s PRO 149 Cb -0.18 -2.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1bff s PRO 149 CO -0.08 0.06 -0.07 -1.64 -0.33 0.00 0.00 177.00 174.93 1bff s MET 150 N -1.84 0.83 0.00 5.54 -1.94 0.05 -4.95 119.30 116.99 1bff s MET 150 Ca 0.50 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 1bff s MET 150 Cb -0.29 -0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.26 1bff s MET 150 CO 0.37 0.01 0.00 0.43 -0.01 0.00 0.00 175.02 175.82 1bff n SER 151 N 0.14 0.00 0.00 3.03 7.64 -1.26 0.58 113.62 123.75 1bff n SER 151 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1bff n SER 151 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1bff n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bff n ALA 152 N -0.56 0.00 0.00 -0.43 0.00 -1.07 -5.01 120.51 113.45 1bff n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bff n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bff n ALA 152 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bff n LYS 153 N -1.75 0.00 0.00 0.00 5.02 -1.26 -4.84 118.16 115.33 1bff n LYS 153 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1bff n LYS 153 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.33 1bff n LYS 153 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75