#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfv s VAL 2 N 0.00 3.27 0.01 -0.39 1.01 -1.26 -3.86 120.40 119.18 1bfv s VAL 2 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.74 1bfv s VAL 2 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1bfv s VAL 2 CO 0.00 0.00 -0.14 -1.10 0.00 0.00 0.00 175.10 173.86 1bfv s GLN 3 N 2.46 1.07 -0.06 2.72 -1.52 -0.31 -4.98 119.66 119.03 1bfv s GLN 3 Ca 0.70 -0.59 -0.01 0.00 -1.95 0.00 0.00 55.36 53.51 1bfv s GLN 3 Cb -0.37 -1.05 0.03 0.00 -0.22 0.00 0.00 33.01 31.40 1bfv s GLN 3 CO 0.30 0.28 0.02 -0.51 -0.25 0.00 0.00 175.29 175.13 1bfv s LEU 4 N -0.60 0.53 -0.20 2.90 1.43 -1.26 -1.96 118.68 119.52 1bfv s LEU 4 Ca 0.04 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1bfv s LEU 4 Cb -0.06 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 45.88 1bfv s LEU 4 CO 0.00 -0.20 -0.08 -1.58 0.23 0.00 0.00 176.35 174.73 1bfv s GLN 5 N 1.90 1.76 0.32 1.70 2.00 0.15 -3.65 119.66 123.84 1bfv s GLN 5 Ca 0.03 -0.80 -0.08 0.00 -2.00 0.00 0.00 55.36 52.51 1bfv s GLN 5 Cb -0.12 -2.36 -0.06 0.00 0.80 0.00 0.00 33.01 31.27 1bfv s GLN 5 CO -0.04 -0.48 0.63 -1.21 -0.50 0.00 0.00 175.29 173.69 1bfv s GLU 6 N 1.46 3.72 0.20 1.67 8.01 -1.26 0.49 118.70 132.99 1bfv s GLU 6 Ca -0.02 0.22 -0.21 0.00 0.01 0.00 0.00 54.97 54.97 1bfv s GLU 6 Cb -0.17 -2.56 0.05 0.00 -4.31 0.00 0.00 34.13 27.14 1bfv s GLU 6 CO -0.08 0.15 0.61 -1.54 0.01 0.00 0.00 175.26 174.41 1bfv s SER 7 N -3.01 -0.41 0.00 -0.19 1.04 0.14 -4.74 113.70 106.53 1bfv s SER 7 Ca 0.47 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1bfv s SER 7 Cb -0.11 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1bfv s SER 7 CO 0.29 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1bfv n GLY 8 N -0.39 0.80 3.72 7.32 0.00 -1.26 -0.45 105.19 114.93 1bfv n GLY 8 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1bfv n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bfv s GLY 9 N -1.03 1.60 0.00 -0.02 0.00 -1.26 -4.58 107.32 102.03 1bfv s GLY 9 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1bfv s GLY 9 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.70 1bfv n GLY 10 N -1.76 -0.01 3.72 0.20 0.00 0.82 -4.93 105.19 103.23 1bfv n GLY 10 Ca 0.09 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1bfv n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bfv s LEU 11 N 0.00 4.36 -0.01 0.99 2.96 -1.26 -0.73 118.68 124.99 1bfv s LEU 11 Ca 0.00 1.34 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1bfv s LEU 11 Cb 0.00 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.48 1bfv s LEU 11 CO 0.00 -0.11 -0.05 0.54 -1.32 0.00 0.00 176.35 175.41 1bfv s VAL 12 N 0.63 0.42 0.73 1.68 0.11 -0.28 -4.96 120.40 118.74 1bfv s VAL 12 Ca 0.40 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 59.15 1bfv s VAL 12 Cb -0.19 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1bfv s VAL 12 CO 0.21 0.13 1.08 0.20 -3.33 0.00 0.00 175.10 173.39 1bfv s ASN 13 N 0.10 5.10 0.13 3.54 0.01 -1.26 0.89 114.94 123.45 1bfv s ASN 13 Ca -0.01 1.39 -0.31 0.00 -0.71 0.00 0.00 52.86 53.22 1bfv s ASN 13 Cb -0.05 -2.21 -0.10 0.00 0.41 0.00 0.00 41.25 39.30 1bfv s ASN 13 CO -0.00 -1.59 1.75 -0.22 -1.51 0.00 0.00 177.10 175.52 1bfv s LEU 14 N -5.58 4.38 0.00 0.60 2.96 0.95 -1.87 118.68 120.13 1bfv s LEU 14 Ca 0.59 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 57.20 1bfv s LEU 14 Cb -0.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1bfv s LEU 14 CO 0.54 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 1bfv n GLY 15 N 4.09 0.83 3.21 7.98 0.00 0.80 -4.95 105.19 117.14 1bfv n GLY 15 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1bfv n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bfv n GLY 16 N -2.00 -1.62 3.40 -0.02 0.00 -0.78 -3.92 105.19 100.24 1bfv n GLY 16 Ca 0.00 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 1bfv n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bfv s SER 17 N -4.95 3.18 0.05 1.61 0.01 -1.26 -0.75 113.70 111.59 1bfv s SER 17 Ca 0.63 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1bfv s SER 17 Cb -0.02 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 1bfv s SER 17 CO 0.45 0.04 -0.08 0.00 0.41 0.00 0.00 173.24 174.06 1bfv s MET 18 N -2.92 0.56 -0.17 12.44 0.23 -0.28 -4.99 119.30 124.17 1bfv s MET 18 Ca 0.21 -0.80 -0.04 0.00 -1.03 0.00 0.00 55.69 54.03 1bfv s MET 18 Cb -0.06 -0.31 0.06 0.00 -1.53 0.00 0.00 34.83 32.98 1bfv s MET 18 CO 0.10 0.05 0.06 0.99 -2.03 0.00 0.00 175.02 174.19 1bfv s THR 19 N -1.51 0.20 0.06 3.16 2.01 -1.26 -1.64 115.64 116.66 1bfv s THR 19 Ca -0.08 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1bfv s THR 19 Cb -0.09 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1bfv s THR 19 CO 0.00 -0.19 0.06 -0.76 -0.69 0.00 0.00 174.62 173.04 1bfv s LEU 20 N 2.01 3.73 0.14 4.42 1.43 0.77 -4.55 118.68 126.63 1bfv s LEU 20 Ca 0.01 -0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1bfv s LEU 20 Cb -0.16 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1bfv s LEU 20 CO -0.08 0.20 -0.22 -0.44 0.23 0.00 0.00 176.35 176.04 1bfv s SER 21 N -2.19 2.89 -0.25 2.29 0.01 0.40 -1.30 113.70 115.54 1bfv s SER 21 Ca 0.27 -0.78 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 1bfv s SER 21 Cb -0.12 -0.18 0.13 0.00 0.21 0.00 0.00 66.02 66.06 1bfv s SER 21 CO 0.19 0.07 0.31 0.00 0.41 0.00 0.00 173.24 174.21 1bfv s VAL 23 N 2.42 5.35 -0.02 0.00 0.11 0.18 -1.71 120.40 126.73 1bfv s VAL 23 Ca 0.10 0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 59.51 1bfv s VAL 23 Cb -0.15 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1bfv s VAL 23 CO -0.23 0.43 0.12 0.00 -3.33 0.00 0.00 175.10 172.10 1bfv s ALA 24 N 0.29 3.75 0.14 1.54 0.00 -0.35 -0.67 121.76 126.46 1bfv s ALA 24 Ca 0.13 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 1bfv s ALA 24 Cb -0.12 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.30 1bfv s ALA 24 CO 0.02 0.70 0.45 -1.54 0.00 0.00 0.00 175.76 175.38 1bfv s SER 25 N -1.69 -0.28 0.00 0.00 1.04 -0.83 -4.88 113.70 107.06 1bfv s SER 25 Ca 0.23 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1bfv s SER 25 Cb -0.12 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1bfv s SER 25 CO 0.14 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1bfv n GLY 26 N -0.27 0.67 3.62 7.32 0.00 -1.25 -1.16 105.19 114.12 1bfv n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1bfv n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bfv s PHE 27 N -2.64 -0.30 -1.23 1.61 -0.71 -1.26 -4.27 117.98 109.18 1bfv s PHE 27 Ca 0.00 -0.05 -0.19 0.00 -1.04 0.00 0.00 56.93 55.65 1bfv s PHE 27 Cb 0.00 0.58 0.06 0.00 -1.21 0.00 0.00 43.02 42.45 1bfv s PHE 27 CO 0.00 -1.03 1.68 0.95 -1.34 0.00 0.00 175.22 175.49 1bfv s THR 28 N -3.85 4.06 0.32 -4.49 -4.23 -1.26 -4.87 115.64 101.32 1bfv s THR 28 Ca 0.07 -1.63 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1bfv s THR 28 Cb -0.03 -5.15 0.36 0.00 1.34 0.00 0.00 72.50 69.02 1bfv s THR 28 CO -0.02 -1.98 1.60 0.15 -0.54 0.00 0.00 174.62 173.83 1bfv h PHE 29 N 8.13 0.35 0.00 3.99 3.57 -1.94 -1.92 116.94 129.12 1bfv h PHE 29 Ca 0.39 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.94 1bfv h PHE 29 Cb 0.90 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1bfv h PHE 29 CO 1.39 -0.35 0.00 -2.95 -2.23 0.00 0.00 178.31 174.17 1bfv h ASN 30 N 0.09 0.00 -0.18 0.41 -0.00 -1.89 -2.42 115.58 111.59 1bfv h ASN 30 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.95 1bfv h ASN 30 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.78 1bfv h ASN 30 CO -0.78 0.00 0.00 0.35 -0.00 0.00 0.00 177.43 177.00 1bfv n THR 31 N -2.94 0.23 -4.85 6.14 -2.24 -0.72 -4.69 114.28 105.21 1bfv n THR 31 Ca -0.03 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 1bfv n THR 31 Cb 0.06 1.24 -0.13 0.00 -2.10 0.00 0.00 70.33 69.41 1bfv n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1bfv s TYR 32 N -1.64 2.74 0.48 4.78 1.51 -0.91 -4.88 117.35 119.42 1bfv s TYR 32 Ca 0.30 -0.14 -0.21 0.00 -1.01 0.00 0.00 57.07 56.02 1bfv s TYR 32 Cb 0.20 -1.65 -0.08 0.00 -0.11 0.00 0.00 41.96 40.32 1bfv s TYR 32 CO 0.28 0.20 1.06 0.71 -1.11 0.00 0.00 175.55 176.70 1bfv s TYR 33 N -0.72 3.00 0.18 2.71 1.51 -1.26 -4.15 117.35 118.61 1bfv s TYR 33 Ca 0.11 1.58 0.04 0.00 -1.01 0.00 0.00 57.07 57.79 1bfv s TYR 33 Cb -0.11 -3.12 -0.05 0.00 -0.11 0.00 0.00 41.96 38.57 1bfv s TYR 33 CO 0.01 -0.92 -0.06 -1.64 -1.11 0.00 0.00 175.55 171.83 1bfv s MET 34 N -3.08 1.17 0.18 -0.62 -1.94 -0.36 -1.69 119.30 112.95 1bfv s MET 34 Ca 0.66 -1.54 -0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1bfv s MET 34 Cb -0.19 -0.59 -0.03 0.00 2.01 0.00 0.00 34.83 36.04 1bfv s MET 34 CO 0.23 -0.01 0.21 -1.54 -0.01 0.00 0.00 175.02 173.90 1bfv s SER 35 N -3.22 0.12 -0.08 3.03 1.04 0.58 -1.33 113.70 113.84 1bfv s SER 35 Ca 0.22 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.54 1bfv s SER 35 Cb 0.04 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1bfv s SER 35 CO 0.04 -0.88 -0.13 0.26 0.98 0.00 0.00 173.24 173.51 1bfv s TRP 36 N -4.06 1.62 -0.05 5.02 0.52 -0.70 -1.09 118.94 120.20 1bfv s TRP 36 Ca 0.27 -0.65 0.02 0.00 0.02 0.00 0.00 56.10 55.76 1bfv s TRP 36 Cb 0.05 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 31.20 1bfv s TRP 36 CO 0.06 -0.34 -0.10 0.08 0.02 0.00 0.00 176.95 176.67 1bfv s VAL 37 N 0.78 0.94 0.13 4.03 1.01 0.13 -0.06 120.40 127.37 1bfv s VAL 37 Ca -0.12 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1bfv s VAL 37 Cb -0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1bfv s VAL 37 CO 0.02 0.31 -0.01 0.00 0.00 0.00 0.00 175.10 175.42 1bfv s ARG 38 N 0.61 2.43 -0.21 2.72 1.70 0.07 0.01 118.95 126.27 1bfv s ARG 38 Ca -0.12 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 1bfv s ARG 38 Cb -0.14 -2.43 0.03 0.00 -0.57 0.00 0.00 34.95 31.84 1bfv s ARG 38 CO 0.02 0.50 -0.14 -1.14 -1.08 0.00 0.00 175.30 173.46 1bfv s GLN 39 N -2.58 2.85 0.93 3.89 0.74 0.19 -1.65 119.66 124.02 1bfv s GLN 39 Ca 0.26 -0.94 -0.14 0.00 0.05 0.00 0.00 55.36 54.59 1bfv s GLN 39 Cb -0.11 -2.77 0.15 0.00 1.10 0.00 0.00 33.01 31.39 1bfv s GLN 39 CO 0.18 -0.32 1.19 0.95 -0.55 0.00 0.00 175.29 176.74 1bfv s THR 40 N 1.28 1.96 0.50 -0.34 -4.23 -0.46 -0.88 115.64 113.47 1bfv s THR 40 Ca 0.01 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.74 1bfv s THR 40 Cb -0.15 -2.84 0.38 0.00 1.34 0.00 0.00 72.50 71.22 1bfv s THR 40 CO -0.09 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.33 1bfv h PRO 41 N -1.53 0.13 0.00 3.99 0.11 -1.91 0.20 132.00 132.99 1bfv h PRO 41 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bfv h PRO 41 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1bfv h PRO 41 CO 0.55 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1bfv n GLU 42 N -4.41 0.36 -1.00 1.05 4.71 -1.26 -4.89 120.64 115.20 1bfv n GLU 42 Ca 0.10 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1bfv n GLU 42 Cb 0.55 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 1bfv n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1bfv n LYS 43 N -1.26 -0.01 -2.06 3.49 4.76 0.71 -5.02 118.16 118.77 1bfv n LYS 43 Ca 0.11 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.14 1bfv n LYS 43 Cb 0.17 -2.79 -0.02 0.00 -1.84 0.00 0.00 35.03 30.54 1bfv n LYS 43 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1bfv s THR 44 N -2.92 2.72 -0.08 -0.18 2.01 -1.26 -4.77 115.64 111.17 1bfv s THR 44 Ca 0.00 0.64 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1bfv s THR 44 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1bfv s THR 44 CO 0.00 0.12 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.26 1bfv s LEU 45 N -0.80 3.44 -0.08 4.42 1.43 -1.26 -1.35 118.68 124.48 1bfv s LEU 45 Ca 0.56 0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1bfv s LEU 45 Cb -0.41 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.07 1bfv s LEU 45 CO 0.46 0.37 0.18 -1.61 0.23 0.00 0.00 176.35 175.98 1bfv s GLU 46 N -0.89 0.14 -0.02 1.70 0.41 -0.66 -4.99 118.70 114.38 1bfv s GLU 46 Ca 0.13 0.43 -0.30 0.00 -0.41 0.00 0.00 54.97 54.83 1bfv s GLU 46 Cb -0.11 -0.16 -0.05 0.00 -1.78 0.00 0.00 34.13 32.03 1bfv s GLU 46 CO 0.02 -0.16 1.49 -1.17 -0.49 0.00 0.00 175.26 174.95 1bfv s LEU 47 N 1.21 4.31 -0.15 1.80 2.96 -1.26 -0.75 118.68 126.80 1bfv s LEU 47 Ca -0.09 2.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1bfv s LEU 47 Cb -0.11 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 1bfv s LEU 47 CO -0.07 -0.80 0.24 0.52 -1.32 0.00 0.00 176.35 174.92 1bfv n VAL 48 N 4.95 1.69 -3.56 1.68 0.31 0.92 -4.71 118.33 119.59 1bfv n VAL 48 Ca 0.15 -0.66 -0.06 0.00 -0.01 0.00 0.00 64.34 63.76 1bfv n VAL 48 Cb 0.43 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 1bfv n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bfv s ALA 49 N -2.55 -1.97 -0.01 3.52 0.00 -1.18 -4.03 121.76 115.53 1bfv s ALA 49 Ca -0.23 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1bfv s ALA 49 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1bfv s ALA 49 CO 0.74 -0.57 0.08 0.00 0.00 0.00 0.00 175.76 176.00 1bfv s ALA 50 N -2.43 -0.19 0.00 0.00 0.00 -0.84 -1.72 121.76 116.58 1bfv s ALA 50 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1bfv s ALA 50 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1bfv s ALA 50 CO -0.06 -0.13 -0.06 -1.50 0.00 0.00 0.00 175.76 174.02 1bfv s ILE 51 N -0.76 0.43 0.94 0.00 2.07 -0.44 0.05 121.20 123.49 1bfv s ILE 51 Ca -0.08 -0.33 -0.15 0.00 -1.41 0.00 0.00 60.65 58.68 1bfv s ILE 51 Cb -0.05 -0.38 0.17 0.00 0.13 0.00 0.00 42.46 42.32 1bfv s ILE 51 CO 0.00 0.05 1.23 0.54 -1.91 0.00 0.00 174.94 174.86 1bfv s ASN 52 N -0.31 3.33 0.51 4.50 2.20 -0.67 -1.23 114.94 123.28 1bfv s ASN 52 Ca 0.00 0.56 0.29 0.00 -0.94 0.00 0.00 52.86 52.77 1bfv s ASN 52 Cb -0.03 -0.83 1.31 0.00 -2.00 0.00 0.00 41.25 39.70 1bfv s ASN 52 CO -0.00 -2.62 1.98 0.77 -2.94 0.00 0.00 177.10 174.29 1bfv h SER 53 N -1.56 0.00 1.12 3.54 4.64 -1.84 -2.72 113.55 116.73 1bfv h SER 53 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1bfv h SER 53 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bfv h SER 53 CO 0.49 0.13 0.00 0.44 -0.87 0.00 0.00 176.83 177.02 1bfv h ASP 54 N 0.00 0.00 0.00 4.97 3.32 -1.92 -3.46 116.42 119.33 1bfv h ASP 54 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bfv h ASP 54 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1bfv h ASP 54 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1bfv n GLY 55 N 0.57 0.94 3.52 2.75 0.00 -1.02 -5.08 105.19 106.87 1bfv n GLY 55 Ca 0.03 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1bfv n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bfv s GLU 56 N -0.58 3.60 0.23 1.61 2.02 -1.26 -4.86 118.70 119.45 1bfv s GLU 56 Ca 0.00 -0.56 -0.31 0.00 0.02 0.00 0.00 54.97 54.12 1bfv s GLU 56 Cb 0.00 -3.67 -0.14 0.00 0.10 0.00 0.00 34.13 30.42 1bfv s GLU 56 CO 0.00 -0.34 1.34 -2.30 0.02 0.00 0.00 175.26 173.97 1bfv n PRO 57 N 5.05 1.82 0.00 0.39 -0.02 -1.26 -1.67 135.00 139.31 1bfv n PRO 57 Ca -0.14 0.65 0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1bfv n PRO 57 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1bfv n PRO 57 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1bfv n ILE 58 N 1.71 0.00 -3.64 4.25 -5.35 0.11 -4.86 119.36 111.58 1bfv n ILE 58 Ca 0.12 -0.48 -0.07 0.00 -0.27 0.00 0.00 62.75 62.05 1bfv n ILE 58 Cb 0.30 1.04 -0.07 0.00 -1.74 0.00 0.00 39.64 39.18 1bfv n ILE 58 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1bfv s TYR 59 N -0.61 -0.66 -0.06 4.28 5.04 -1.13 -4.93 117.35 119.27 1bfv s TYR 59 Ca 0.03 1.43 -0.05 0.00 -2.44 0.00 0.00 57.07 56.04 1bfv s TYR 59 Cb 0.03 0.40 0.02 0.00 0.35 0.00 0.00 41.96 42.76 1bfv s TYR 59 CO 0.07 -0.32 0.16 0.71 -1.34 0.00 0.00 175.55 174.83 1bfv s TYR 60 N 0.92 -0.18 0.32 4.97 2.02 -1.26 -1.99 117.35 122.14 1bfv s TYR 60 Ca -0.04 0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 56.84 1bfv s TYR 60 Cb -0.04 0.03 -0.10 0.00 -0.40 0.00 0.00 41.96 41.45 1bfv s TYR 60 CO -0.11 -0.11 1.19 -1.25 -1.57 0.00 0.00 175.55 173.70 1bfv s PRO 61 N 0.36 4.45 0.44 -1.71 0.04 -1.26 -4.91 135.00 132.41 1bfv s PRO 61 Ca -0.02 1.98 0.15 0.00 0.04 0.00 0.00 61.00 63.15 1bfv s PRO 61 Cb -0.04 -3.07 1.06 0.00 0.04 0.00 0.00 34.50 32.50 1bfv s PRO 61 CO -0.02 -0.02 1.97 0.22 0.04 0.00 0.00 177.00 179.19 1bfv h ASP 62 N 3.48 0.34 -0.37 6.66 1.82 -1.98 -1.59 116.42 124.78 1bfv h ASP 62 Ca -0.48 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.10 1bfv h ASP 62 Cb 1.22 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1bfv h ASP 62 CO 0.66 0.20 -0.06 0.71 -1.61 0.00 0.00 179.24 179.14 1bfv h THR 63 N 0.38 1.27 0.00 2.25 1.35 -2.02 -2.56 112.91 113.58 1bfv h THR 63 Ca 0.30 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1bfv h THR 63 Cb 0.65 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1bfv h THR 63 CO -0.08 0.37 0.00 0.18 -0.25 0.00 0.00 175.52 175.73 1bfv n LEU 64 N -4.42 0.00 -4.68 3.87 4.77 -0.92 -4.83 117.00 110.79 1bfv n LEU 64 Ca -0.02 0.41 -0.45 0.00 -0.03 0.00 0.00 56.01 55.92 1bfv n LEU 64 Cb 0.32 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1bfv n LEU 64 CO 0.41 -0.00 1.23 0.29 -1.33 0.00 0.00 177.39 178.00 1bfv n LYS 65 N -1.41 2.28 0.00 3.23 5.02 -0.65 -0.96 118.16 125.67 1bfv n LYS 65 Ca 0.10 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 1bfv n LYS 65 Cb 0.30 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1bfv n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bfv n GLY 66 N 3.54 0.97 0.03 0.72 0.00 -1.26 -4.84 105.19 104.34 1bfv n GLY 66 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1bfv n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bfv n ARG 67 N -2.00 1.85 -4.22 1.61 1.85 -0.13 -4.96 116.66 110.66 1bfv n ARG 67 Ca 0.00 -1.28 -0.17 0.00 -1.00 0.00 0.00 57.85 55.40 1bfv n ARG 67 Cb 0.00 -0.88 -0.13 0.00 -1.05 0.00 0.00 32.46 30.40 1bfv n ARG 67 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1bfv s VAL 68 N -0.83 0.78 -0.11 8.89 0.11 -1.10 0.26 120.40 128.39 1bfv s VAL 68 Ca 0.03 -0.84 -0.05 0.00 -2.93 0.00 0.00 61.98 58.19 1bfv s VAL 68 Cb 0.02 -0.73 0.05 0.00 -1.53 0.00 0.00 36.38 34.19 1bfv s VAL 68 CO 0.00 -0.08 0.25 -0.89 -3.33 0.00 0.00 175.10 171.04 1bfv s THR 69 N -0.84 -0.23 -0.15 5.04 2.01 0.22 -4.99 115.64 116.70 1bfv s THR 69 Ca -0.02 0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 1bfv s THR 69 Cb -0.07 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1bfv s THR 69 CO 0.01 0.09 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.45 1bfv s ILE 70 N 1.89 3.58 0.19 1.82 2.07 -1.26 0.11 121.20 129.60 1bfv s ILE 70 Ca -0.03 -0.47 -0.04 0.00 -1.41 0.00 0.00 60.65 58.70 1bfv s ILE 70 Cb -0.11 -2.56 -0.03 0.00 0.13 0.00 0.00 42.46 39.89 1bfv s ILE 70 CO -0.08 0.50 0.19 -0.94 -1.91 0.00 0.00 174.94 172.69 1bfv s SER 71 N 0.43 0.13 -0.00 4.50 1.04 -0.66 -4.72 113.70 114.42 1bfv s SER 71 Ca -0.06 -1.23 -0.11 0.00 0.48 0.00 0.00 55.95 55.03 1bfv s SER 71 Cb -0.15 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1bfv s SER 71 CO 0.04 -0.87 0.22 0.00 0.98 0.00 0.00 173.24 173.60 1bfv s ARG 72 N -4.10 0.58 -0.51 4.02 1.70 -1.26 0.63 118.95 120.02 1bfv s ARG 72 Ca 0.32 -0.34 0.03 0.00 -0.47 0.00 0.00 55.73 55.27 1bfv s ARG 72 Cb 0.05 0.25 0.14 0.00 -0.57 0.00 0.00 34.95 34.82 1bfv s ARG 72 CO 0.09 -0.15 0.27 0.34 -1.08 0.00 0.00 175.30 174.76 1bfv s ASP 73 N -1.43 4.09 0.26 -2.89 -1.08 0.40 -4.98 116.67 111.04 1bfv s ASP 73 Ca -0.13 -2.96 -0.02 0.00 -0.52 0.00 0.00 52.55 48.91 1bfv s ASP 73 Cb -0.06 -1.42 0.44 0.00 -1.46 0.00 0.00 42.92 40.42 1bfv s ASP 73 CO 0.02 -0.23 1.83 0.78 0.52 0.00 0.00 175.17 178.10 1bfv h ASN 74 N 6.47 0.84 -0.55 -0.34 2.35 -1.95 0.22 115.58 122.62 1bfv h ASN 74 Ca -0.03 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1bfv h ASN 74 Cb 0.89 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 1bfv h ASN 74 CO 0.62 0.48 0.19 0.00 -1.65 0.00 0.00 177.43 177.08 1bfv h ALA 75 N 1.48 1.23 -0.01 -0.83 0.00 -1.94 -1.21 119.26 117.98 1bfv h ALA 75 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1bfv h ALA 75 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bfv h ALA 75 CO -0.23 0.55 -0.08 1.63 0.00 0.00 0.00 179.25 181.12 1bfv n LYS 76 N -4.29 1.32 -3.94 0.00 5.02 -0.61 -4.92 118.16 110.74 1bfv n LYS 76 Ca 0.05 -0.72 -0.29 0.00 -2.02 0.00 0.00 58.31 55.32 1bfv n LYS 76 Cb 0.20 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1bfv n LYS 76 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bfv n LYS 77 N -0.21 -4.84 -4.74 1.97 5.02 0.64 -4.83 118.16 111.17 1bfv n LYS 77 Ca 0.17 0.55 -0.24 0.00 -2.02 0.00 0.00 58.31 56.76 1bfv n LYS 77 Cb 0.33 -5.29 -0.15 0.00 -0.02 0.00 0.00 35.03 29.91 1bfv n LYS 77 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bfv s THR 78 N -3.42 1.40 -0.07 -0.18 2.01 -0.38 -1.21 115.64 113.79 1bfv s THR 78 Ca 0.51 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1bfv s THR 78 Cb -0.26 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1bfv s THR 78 CO 0.85 0.31 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.78 1bfv s LEU 79 N -0.65 3.06 0.18 4.42 2.96 -0.69 0.15 118.68 128.11 1bfv s LEU 79 Ca 0.06 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1bfv s LEU 79 Cb -0.07 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1bfv s LEU 79 CO 0.00 0.34 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.90 1bfv s TYR 80 N -0.69 1.77 -0.03 5.38 2.02 0.20 -1.02 117.35 124.99 1bfv s TYR 80 Ca 0.10 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1bfv s TYR 80 Cb -0.11 -0.85 0.03 0.00 -0.40 0.00 0.00 41.96 40.63 1bfv s TYR 80 CO 0.01 0.35 0.06 -1.17 -1.57 0.00 0.00 175.55 173.24 1bfv s LEU 81 N -2.97 0.80 -0.09 -1.29 2.96 -0.42 -1.66 118.68 116.01 1bfv s LEU 81 Ca 0.19 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1bfv s LEU 81 Cb -0.04 -0.00 -0.00 0.00 0.50 0.00 0.00 46.19 46.65 1bfv s LEU 81 CO 0.07 -0.16 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.60 1bfv s GLN 82 N 1.34 2.92 -0.01 1.98 -0.21 0.30 -0.17 119.66 125.81 1bfv s GLN 82 Ca -0.06 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1bfv s GLN 82 Cb -0.13 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.61 1bfv s GLN 82 CO -0.04 0.24 -0.05 1.41 -2.12 0.00 0.00 175.29 174.73 1bfv s MET 83 N 0.19 0.55 0.35 2.91 1.75 -0.65 -0.61 119.30 123.78 1bfv s MET 83 Ca -0.14 -0.17 0.06 0.00 -1.25 0.00 0.00 55.69 54.19 1bfv s MET 83 Cb -0.17 -0.55 -0.07 0.00 2.84 0.00 0.00 34.83 36.89 1bfv s MET 83 CO 0.07 0.07 -0.01 -1.54 -0.65 0.00 0.00 175.02 172.96 1bfv s SER 84 N 0.17 3.16 -1.30 1.11 1.04 0.14 -1.12 113.70 116.90 1bfv s SER 84 Ca -0.02 -1.30 -0.05 0.00 0.48 0.00 0.00 55.95 55.06 1bfv s SER 84 Cb -0.06 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 1bfv s SER 84 CO -0.00 -0.43 0.61 -1.20 0.98 0.00 0.00 173.24 173.19 1bfv n SER 85 N -0.77 -1.86 -4.74 7.02 7.64 -0.90 -4.79 113.62 115.21 1bfv n SER 85 Ca -0.04 -0.94 -0.41 0.00 1.01 0.00 0.00 58.87 58.49 1bfv n SER 85 Cb 0.65 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.33 1bfv n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bfv n LEU 86 N -4.28 4.34 -4.67 -3.43 4.77 0.07 -4.67 117.00 109.13 1bfv n LEU 86 Ca -0.25 1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 1bfv n LEU 86 Cb 0.66 -1.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 1bfv n LEU 86 CO 0.71 -0.18 -0.24 0.54 -1.33 0.00 0.00 177.39 176.89 1bfv s ASN 87 N -0.27 3.66 0.40 -1.43 2.20 -1.26 -0.14 114.94 118.10 1bfv s ASN 87 Ca 0.56 -1.64 0.12 0.00 -0.94 0.00 0.00 52.86 50.96 1bfv s ASN 87 Cb -0.51 0.45 0.95 0.00 -2.00 0.00 0.00 41.25 40.14 1bfv s ASN 87 CO 0.62 -0.85 1.93 -0.26 -2.94 0.00 0.00 177.10 175.60 1bfv h PHE 88 N 1.53 0.59 0.00 1.54 0.04 -1.95 -1.37 116.94 117.31 1bfv h PHE 88 Ca -0.41 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1bfv h PHE 88 Cb 1.30 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1bfv h PHE 88 CO 1.45 0.25 0.00 0.39 -0.60 0.00 0.00 178.31 179.80 1bfv n GLU 89 N -4.49 0.20 0.02 1.51 1.02 -1.26 -3.01 120.64 114.63 1bfv n GLU 89 Ca 0.13 0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1bfv n GLU 89 Cb 0.43 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.66 1bfv n GLU 89 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bfv n ASP 90 N -1.31 0.48 -4.63 1.62 8.00 -0.52 -4.84 116.55 115.36 1bfv n ASP 90 Ca 0.07 0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 1bfv n ASP 90 Cb 0.13 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1bfv n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bfv s THR 91 N -3.05 3.24 0.15 -3.53 2.01 -1.16 -4.83 115.64 108.46 1bfv s THR 91 Ca 0.10 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.13 1bfv s THR 91 Cb 0.16 -3.25 0.08 0.00 0.01 0.00 0.00 72.50 69.50 1bfv s THR 91 CO 0.67 -0.11 1.04 0.00 -0.69 0.00 0.00 174.62 175.53 1bfv s ALA 92 N 6.22 -1.70 -0.28 7.40 0.00 -0.62 -4.67 121.76 128.10 1bfv s ALA 92 Ca 0.87 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 1bfv s ALA 92 Cb -0.33 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1bfv s ALA 92 CO 0.35 -1.06 0.38 -1.17 0.00 0.00 0.00 175.76 174.26 1bfv s LEU 93 N -3.21 4.09 -0.32 0.00 2.96 -0.06 -1.34 118.68 120.81 1bfv s LEU 93 Ca 0.18 0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.19 1bfv s LEU 93 Cb -0.01 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1bfv s LEU 93 CO 0.03 -0.22 0.21 -0.31 -1.32 0.00 0.00 176.35 174.74 1bfv s TYR 94 N 2.08 3.21 -0.00 5.38 1.51 0.21 0.55 117.35 130.29 1bfv s TYR 94 Ca 0.15 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1bfv s TYR 94 Cb -0.16 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 1bfv s TYR 94 CO 0.10 -0.32 0.03 0.71 -1.11 0.00 0.00 175.55 174.96 1bfv s TYR 95 N 1.71 3.16 -0.07 2.71 2.02 0.10 -1.19 117.35 125.78 1bfv s TYR 95 Ca 0.06 0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.85 1bfv s TYR 95 Cb -0.17 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1bfv s TYR 95 CO 0.10 0.50 0.11 0.00 -1.57 0.00 0.00 175.55 174.68 1bfv s ALA 97 N -1.09 0.02 0.32 0.00 0.00 -0.25 -1.36 121.76 119.40 1bfv s ALA 97 Ca 0.18 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 1bfv s ALA 97 Cb -0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.79 1bfv s ALA 97 CO 0.08 -0.05 0.92 0.50 0.00 0.00 0.00 175.76 177.22 1bfv s ARG 98 N 0.43 4.52 -0.15 0.00 3.52 0.77 -0.31 118.95 127.73 1bfv s ARG 98 Ca -0.04 1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.71 1bfv s ARG 98 Cb -0.05 -2.75 -0.05 0.00 -1.56 0.00 0.00 34.95 30.54 1bfv s ARG 98 CO -0.01 0.26 0.24 -0.51 -0.81 0.00 0.00 175.30 174.47 1bfv s LEU 99 N -2.14 4.27 -0.19 -0.88 1.43 -0.68 -0.73 118.68 119.76 1bfv s LEU 99 Ca 0.51 0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 54.03 1bfv s LEU 99 Cb -0.18 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1bfv s LEU 99 CO 0.23 0.18 -0.01 0.21 0.23 0.00 0.00 176.35 177.18 1bfv s ASN 100 N 0.11 4.77 0.20 2.29 3.04 0.44 -4.37 114.94 121.41 1bfv s ASN 100 Ca 0.15 -0.20 -0.12 0.00 0.04 0.00 0.00 52.86 52.73 1bfv s ASN 100 Cb -0.13 -1.80 0.14 0.00 -1.54 0.00 0.00 41.25 37.92 1bfv s ASN 100 CO 0.03 0.09 1.85 0.22 -3.04 0.00 0.00 177.10 176.25 1bfv h TYR 101 N 7.33 0.78 -0.20 0.43 3.20 -1.98 0.35 116.97 126.89 1bfv h TYR 101 Ca -0.35 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.38 1bfv h TYR 101 Cb 1.18 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1bfv h TYR 101 CO 0.57 0.47 -0.54 0.00 -1.64 0.00 0.00 178.16 177.03 1bfv h ALA 102 N 1.26 0.68 -0.01 1.82 0.00 -1.95 -3.22 119.26 117.84 1bfv h ALA 102 Ca 0.25 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1bfv h ALA 102 Cb -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1bfv h ALA 102 CO -0.08 0.69 -0.97 0.28 0.00 0.00 0.00 179.25 179.17 1bfv h VAL 103 N 0.46 1.34 -4.05 0.00 2.07 -1.92 -3.47 116.25 110.68 1bfv h VAL 103 Ca 0.01 -2.32 -0.28 0.00 0.82 0.00 0.00 66.70 64.94 1bfv h VAL 103 Cb 1.09 2.36 0.08 0.00 -1.52 0.00 0.00 31.29 33.30 1bfv h VAL 103 CO 0.10 0.71 -0.45 0.00 0.02 0.00 0.00 177.57 177.95 1bfv n TYR 104 N -3.81 -1.83 -3.89 1.57 9.36 0.12 -4.96 117.16 113.73 1bfv n TYR 104 Ca -0.08 0.61 -0.01 0.00 3.32 0.00 0.00 57.90 61.74 1bfv n TYR 104 Cb 0.84 -3.69 0.02 0.00 -0.63 0.00 0.00 39.34 35.88 1bfv n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bfv n GLY 105 N -1.48 0.54 3.77 2.98 0.00 -1.12 -4.99 105.19 104.89 1bfv n GLY 105 Ca -0.01 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1bfv n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bfv s MET 106 N -2.03 4.16 0.00 1.61 -1.94 -1.26 -0.42 119.30 119.43 1bfv s MET 106 Ca 0.22 2.51 -0.01 0.00 -1.71 0.00 0.00 55.69 56.69 1bfv s MET 106 Cb -0.02 -3.00 -0.00 0.00 2.01 0.00 0.00 34.83 33.82 1bfv s MET 106 CO 0.03 -0.48 -0.03 -0.40 -0.01 0.00 0.00 175.02 174.12 1bfv n ASP 107 N 0.77 0.36 -4.85 3.03 5.75 0.10 -4.82 116.55 116.89 1bfv n ASP 107 Ca 0.02 0.05 -0.31 0.00 -0.01 0.00 0.00 54.79 54.54 1bfv n ASP 107 Cb 0.39 -0.24 -0.05 0.00 -1.03 0.00 0.00 41.12 40.20 1bfv n ASP 107 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1bfv s TYR 108 N -1.34 3.38 0.03 2.11 2.02 -1.26 -4.96 117.35 117.34 1bfv s TYR 108 Ca -0.02 0.20 0.05 0.00 -0.37 0.00 0.00 57.07 56.93 1bfv s TYR 108 Cb 0.00 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1bfv s TYR 108 CO 0.04 0.57 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.87 1bfv s TRP 109 N -1.40 1.20 0.00 2.71 0.52 -1.26 -0.16 118.94 120.55 1bfv s TRP 109 Ca 0.30 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 56.09 1bfv s TRP 109 Cb -0.13 -0.72 0.00 0.00 -1.15 0.00 0.00 33.47 31.47 1bfv s TRP 109 CO 0.23 0.02 0.00 0.41 0.02 0.00 0.00 176.95 177.63 1bfv n GLY 110 N 2.03 -1.25 0.02 0.98 0.00 -0.46 -4.76 105.19 101.75 1bfv n GLY 110 Ca -0.17 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.35 1bfv n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bfv n GLN 111 N -0.76 0.14 0.00 1.61 6.02 -1.24 -4.87 117.38 118.27 1bfv n GLN 111 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1bfv n GLN 111 Cb 0.00 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.69 1bfv n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bfv n GLY 112 N 1.43 -1.22 2.83 1.08 0.00 -1.26 -5.01 105.19 103.05 1bfv n GLY 112 Ca 0.04 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 1bfv n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bfv s THR 113 N -3.17 0.36 -0.04 2.61 -1.32 -0.34 -4.76 115.64 108.99 1bfv s THR 113 Ca 0.00 0.03 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 1bfv s THR 113 Cb 0.00 -0.45 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 1bfv s THR 113 CO 0.00 0.21 0.62 -0.89 -2.21 0.00 0.00 174.62 172.35 1bfv s THR 114 N 1.25 4.98 -0.18 5.08 2.01 -1.26 -0.62 115.64 126.91 1bfv s THR 114 Ca -0.06 1.29 -0.02 0.00 0.31 0.00 0.00 61.69 63.21 1bfv s THR 114 Cb -0.13 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1bfv s THR 114 CO -0.02 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.48 1bfv s VAL 115 N 0.23 3.13 -0.28 3.82 1.01 -0.45 -0.13 120.40 127.72 1bfv s VAL 115 Ca 0.33 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1bfv s VAL 115 Cb -0.18 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.89 1bfv s VAL 115 CO 0.17 0.48 -0.04 -0.89 0.00 0.00 0.00 175.10 174.81 1bfv s THR 116 N 0.95 2.67 -0.00 3.92 2.01 0.10 -1.60 115.64 123.70 1bfv s THR 116 Ca -0.01 -1.48 -0.27 0.00 0.31 0.00 0.00 61.69 60.24 1bfv s THR 116 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1bfv s THR 116 CO -0.00 -0.07 0.84 -0.69 -0.69 0.00 0.00 174.62 174.00 1bfv s VAL 117 N 1.20 4.87 0.19 3.82 1.01 -1.26 -1.12 120.40 129.11 1bfv s VAL 117 Ca -0.07 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.76 1bfv s VAL 117 Cb -0.20 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1bfv s VAL 117 CO -0.03 0.24 -0.16 -0.44 0.00 0.00 0.00 175.10 174.72 1bfv s SER 118 N 0.65 2.66 0.00 3.32 0.01 0.26 -4.92 113.70 115.66 1bfv s SER 118 Ca 0.44 -0.95 0.08 0.00 1.31 0.00 0.00 55.95 56.83 1bfv s SER 118 Cb -0.20 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1bfv s SER 118 CO 0.24 -0.10 0.76 -1.54 0.41 0.00 0.00 173.24 173.00