#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnb n ARG 2 N 0.00 -1.22 -3.40 0.03 1.85 -1.26 -4.96 116.66 107.71 2fnb n ARG 2 Ca 0.00 0.68 -0.38 0.00 -1.00 0.00 0.00 57.85 57.15 2fnb n ARG 2 Cb 0.00 -1.59 -0.07 0.00 -1.05 0.00 0.00 32.46 29.76 2fnb n ARG 2 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2fnb s GLY 3 N -2.29 2.25 0.00 2.89 0.00 -1.26 -4.98 107.32 103.92 2fnb s GLY 3 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.43 2fnb s GLY 3 CO 0.66 0.70 0.00 -1.14 0.00 0.00 0.00 173.10 173.32 2fnb n SER 4 N 3.90 -1.17 0.00 1.64 3.41 -1.26 -4.92 113.62 115.22 2fnb n SER 4 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2fnb n SER 4 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2fnb n SER 4 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2fnb n GLU 5 N -0.13 0.00 -4.16 4.33 2.13 -1.26 -5.09 120.64 116.47 2fnb n GLU 5 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 2fnb n GLU 5 Cb 0.00 -0.02 -0.16 0.00 0.27 0.00 0.00 31.44 31.54 2fnb n GLU 5 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2fnb s VAL 6 N -0.64 0.47 -0.18 6.31 1.01 -1.26 -5.11 120.40 121.00 2fnb s VAL 6 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2fnb s VAL 6 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2fnb s VAL 6 CO 0.00 0.18 1.00 -2.16 0.00 0.00 0.00 175.10 174.12 2fnb s PRO 7 N 0.51 4.31 0.76 2.72 0.04 -1.26 -4.47 135.00 137.61 2fnb s PRO 7 Ca -0.06 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 2fnb s PRO 7 Cb -0.10 -3.60 0.05 0.00 0.04 0.00 0.00 34.50 30.88 2fnb s PRO 7 CO -0.00 -0.50 1.08 1.14 0.04 0.00 0.00 177.00 178.77 2fnb s GLN 8 N 2.71 2.42 -1.22 4.56 1.03 -1.26 -4.88 119.66 123.02 2fnb s GLN 8 Ca 0.45 0.72 -0.21 0.00 0.04 0.00 0.00 55.36 56.35 2fnb s GLN 8 Cb -0.16 -1.95 -0.02 0.00 0.03 0.00 0.00 33.01 30.91 2fnb s GLN 8 CO 0.11 -1.40 1.84 -0.51 -2.54 0.00 0.00 175.29 172.78 2fnb s LEU 9 N -5.67 3.39 0.05 2.60 1.43 -1.26 -4.74 118.68 114.48 2fnb s LEU 9 Ca 0.60 -1.94 0.03 0.00 -1.03 0.00 0.00 54.13 51.78 2fnb s LEU 9 Cb -0.14 -2.58 0.16 0.00 0.03 0.00 0.00 46.19 43.65 2fnb s LEU 9 CO 0.54 -2.24 1.00 0.41 0.23 0.00 0.00 176.35 176.29 2fnb n THR 10 N 7.21 1.49 0.09 5.49 -1.04 -1.26 -0.73 114.28 125.52 2fnb n THR 10 Ca 0.46 0.54 0.05 0.00 -2.04 0.00 0.00 64.05 63.06 2fnb n THR 10 Cb 0.46 -1.54 0.11 0.00 -1.82 0.00 0.00 70.33 67.54 2fnb n THR 10 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2fnb n ASP 11 N -1.53 2.48 -4.66 8.00 2.03 -1.26 -4.99 116.55 116.63 2fnb n ASP 11 Ca -0.00 -1.77 -0.47 0.00 0.52 0.00 0.00 54.79 53.07 2fnb n ASP 11 Cb 0.11 -0.13 -0.04 0.00 -0.72 0.00 0.00 41.12 40.33 2fnb n ASP 11 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2fnb n LEU 12 N 0.54 3.51 -4.12 -2.67 -0.00 0.09 -4.01 117.00 110.33 2fnb n LEU 12 Ca 0.09 0.85 -0.10 0.00 -0.00 0.00 0.00 56.01 56.86 2fnb n LEU 12 Cb 0.36 -1.41 -0.10 0.00 -0.00 0.00 0.00 43.42 42.27 2fnb n LEU 12 CO 0.07 -0.09 -0.26 -0.94 -0.00 0.00 0.00 177.39 176.17 2fnb s SER 13 N 4.77 0.27 0.18 1.96 1.04 -0.02 -5.01 113.70 116.90 2fnb s SER 13 Ca 0.94 -1.16 0.06 0.00 0.48 0.00 0.00 55.95 56.27 2fnb s SER 13 Cb -0.62 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 2fnb s SER 13 CO 0.48 -0.75 0.06 -0.36 0.98 0.00 0.00 173.24 173.66 2fnb s PHE 14 N -4.04 2.98 0.28 5.02 0.08 -1.26 -0.55 117.98 120.49 2fnb s PHE 14 Ca 0.23 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 2fnb s PHE 14 Cb 0.07 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2fnb s PHE 14 CO 0.02 0.52 0.34 0.14 -0.10 0.00 0.00 175.22 176.14 2fnb s VAL 15 N -1.79 0.00 -1.54 -0.44 -7.23 -0.53 -4.85 120.40 104.04 2fnb s VAL 15 Ca 0.29 -1.75 -0.09 0.00 -1.81 0.00 0.00 61.98 58.62 2fnb s VAL 15 Cb -0.09 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.43 2fnb s VAL 15 CO 0.21 0.00 0.65 0.47 -0.31 0.00 0.00 175.10 176.12 2fnb n ASP 16 N -0.93 -2.14 -3.36 4.85 8.00 -1.26 -0.54 116.55 121.17 2fnb n ASP 16 Ca 0.02 -0.97 -0.39 0.00 0.71 0.00 0.00 54.79 54.16 2fnb n ASP 16 Cb 0.63 -3.10 -0.03 0.00 -0.02 0.00 0.00 41.12 38.60 2fnb n ASP 16 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2fnb n ILE 17 N -4.43 4.16 -0.83 0.53 -0.00 -1.26 -3.07 119.36 114.45 2fnb n ILE 17 Ca -0.11 -2.61 -0.29 0.00 -0.00 0.00 0.00 62.75 59.74 2fnb n ILE 17 Cb 0.59 -2.61 0.19 0.00 -0.00 0.00 0.00 39.64 37.82 2fnb n ILE 17 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2fnb s THR 18 N 2.34 2.24 -2.00 1.39 -1.32 -1.08 -4.93 115.64 112.28 2fnb s THR 18 Ca 0.66 0.08 0.13 0.00 -1.21 0.00 0.00 61.69 61.35 2fnb s THR 18 Cb 0.17 -2.30 0.36 0.00 -1.51 0.00 0.00 72.50 69.23 2fnb s THR 18 CO -0.06 -0.10 1.30 -0.67 -2.21 0.00 0.00 174.62 172.88 2fnb n ASP 19 N -4.40 0.00 0.00 8.08 2.03 -1.26 -3.62 116.55 117.39 2fnb n ASP 19 Ca 0.06 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.29 2fnb n ASP 19 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2fnb n ASP 19 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2fnb n SER 20 N -0.77 0.63 0.00 1.67 3.41 -1.26 -4.82 113.62 112.48 2fnb n SER 20 Ca 0.10 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2fnb n SER 20 Cb 0.04 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2fnb n SER 20 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2fnb n SER 21 N -0.06 0.00 -4.23 4.04 3.41 -1.24 -4.74 113.62 110.80 2fnb n SER 21 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2fnb n SER 21 Cb 0.07 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 2fnb n SER 21 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2fnb s ILE 22 N -2.00 1.68 0.25 -1.33 2.07 -0.52 -2.65 121.20 118.71 2fnb s ILE 22 Ca 0.00 -0.94 0.01 0.00 -1.41 0.00 0.00 60.65 58.31 2fnb s ILE 22 Cb 0.00 -1.40 -0.04 0.00 0.13 0.00 0.00 42.46 41.15 2fnb s ILE 22 CO 0.00 0.45 0.43 -0.83 -1.91 0.00 0.00 174.94 173.08 2fnb s GLY 23 N -0.56 1.53 0.14 1.50 0.00 0.30 -0.62 107.32 109.61 2fnb s GLY 23 Ca 0.08 -0.95 0.07 0.00 0.00 0.00 0.00 44.72 43.93 2fnb s GLY 23 CO -0.01 -0.91 -0.17 1.08 0.00 0.00 0.00 173.10 173.09 2fnb s LEU 24 N -3.75 2.41 0.00 0.66 1.02 0.59 -1.45 118.68 118.16 2fnb s LEU 24 Ca 0.38 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.70 2fnb s LEU 24 Cb -0.10 -0.72 -0.00 0.00 0.02 0.00 0.00 46.19 45.38 2fnb s LEU 24 CO 0.31 -0.07 -0.01 -0.60 0.02 0.00 0.00 176.35 176.00 2fnb s ARG 25 N -2.67 0.09 0.17 1.70 3.52 0.28 -2.44 118.95 119.61 2fnb s ARG 25 Ca 0.12 -0.09 -0.06 0.00 -0.13 0.00 0.00 55.73 55.58 2fnb s ARG 25 Cb -0.06 -0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.31 2fnb s ARG 25 CO 0.05 0.01 0.33 -2.67 -0.81 0.00 0.00 175.30 172.21 2fnb n TRP 26 N 2.91 -1.49 -3.32 5.12 2.14 -0.20 -0.84 117.44 121.76 2fnb n TRP 26 Ca -0.13 -0.86 -0.44 0.00 2.07 0.00 0.00 57.50 58.14 2fnb n TRP 26 Cb 0.59 0.38 -0.08 0.00 -0.81 0.00 0.00 31.31 31.40 2fnb n TRP 26 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 2fnb s THR 27 N -2.60 5.11 0.17 -1.67 2.01 -1.26 -4.59 115.64 112.81 2fnb s THR 27 Ca 0.08 -0.69 -0.32 0.00 0.31 0.00 0.00 61.69 61.07 2fnb s THR 27 Cb -0.02 -4.12 -0.12 0.00 0.01 0.00 0.00 72.50 68.25 2fnb s THR 27 CO 0.06 -0.56 1.72 -0.81 -0.69 0.00 0.00 174.62 174.34 2fnb n PRO 28 N 5.54 2.64 -3.14 4.92 -0.04 -1.26 -4.94 135.00 138.73 2fnb n PRO 28 Ca -0.09 0.95 -0.45 0.00 -0.04 0.00 0.00 63.50 63.87 2fnb n PRO 28 Cb 0.45 -2.80 -0.04 0.00 -0.04 0.00 0.00 33.50 31.08 2fnb n PRO 28 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fnb s LEU 29 N 1.50 5.58 0.00 1.53 1.43 -1.26 -4.93 118.68 122.52 2fnb s LEU 29 Ca 0.78 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 2fnb s LEU 29 Cb -0.54 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.39 2fnb s LEU 29 CO 0.35 -1.04 0.70 0.59 0.23 0.00 0.00 176.35 177.18 2fnb n ASN 30 N 6.02 2.04 -4.72 2.29 5.03 -1.26 -4.83 115.26 119.82 2fnb n ASN 30 Ca -0.05 -1.50 -0.42 0.00 0.87 0.00 0.00 54.58 53.48 2fnb n ASN 30 Cb 0.43 -0.38 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 2fnb n ASN 30 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2fnb s SER 31 N 0.82 6.71 -0.34 6.41 1.04 -1.26 -4.86 113.70 122.22 2fnb s SER 31 Ca 0.00 2.50 -0.06 0.00 0.48 0.00 0.00 55.95 58.87 2fnb s SER 31 Cb 0.00 -2.60 -0.19 0.00 0.10 0.00 0.00 66.02 63.34 2fnb s SER 31 CO 0.00 -0.72 2.98 -1.54 0.98 0.00 0.00 173.24 174.94 2fnb n SER 32 N 3.58 5.10 0.00 7.02 3.41 -1.26 -2.31 113.62 129.16 2fnb n SER 32 Ca 0.11 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 2fnb n SER 32 Cb 0.41 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2fnb n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2fnb n THR 33 N 2.90 0.00 -1.75 6.66 -1.04 -1.26 -5.10 114.28 114.69 2fnb n THR 33 Ca 0.43 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.04 2fnb n THR 33 Cb 0.62 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.14 2fnb n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fnb n ILE 34 N 0.00 2.52 -0.03 12.58 0.00 -0.98 -1.81 119.36 131.65 2fnb n ILE 34 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 62.75 62.24 2fnb n ILE 34 Cb 0.00 -1.81 -0.00 0.00 0.00 0.00 0.00 39.64 37.82 2fnb n ILE 34 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2fnb h ILE 35 N 2.43 0.00 -1.29 9.51 2.04 -1.30 -3.47 117.51 125.43 2fnb h ILE 35 Ca -0.50 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2fnb h ILE 35 Cb 1.27 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2fnb h ILE 35 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.38 2fnb n GLY 36 N 1.81 1.28 3.21 5.37 0.00 -1.20 -4.23 105.19 111.43 2fnb n GLY 36 Ca -0.01 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 2fnb n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fnb s TYR 37 N -4.80 1.88 -0.17 1.61 2.02 -1.26 -2.62 117.35 114.01 2fnb s TYR 37 Ca 0.00 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 2fnb s TYR 37 Cb 0.00 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 2fnb s TYR 37 CO 0.00 -0.07 -0.16 0.50 -1.57 0.00 0.00 175.55 174.25 2fnb s ARG 38 N -0.36 2.51 0.17 -0.62 3.00 0.04 -2.72 118.95 120.97 2fnb s ARG 38 Ca 0.05 -0.73 -0.07 0.00 -1.00 0.00 0.00 55.73 53.98 2fnb s ARG 38 Cb -0.09 -2.35 -0.06 0.00 0.00 0.00 0.00 34.95 32.45 2fnb s ARG 38 CO 0.00 -0.27 0.45 0.42 0.00 0.00 0.00 175.30 175.90 2fnb s ILE 39 N 1.39 5.06 -0.27 4.11 1.09 0.13 -0.56 121.20 132.15 2fnb s ILE 39 Ca 0.04 0.26 -0.02 0.00 -1.10 0.00 0.00 60.65 59.82 2fnb s ILE 39 Cb -0.14 -3.63 0.12 0.00 -1.06 0.00 0.00 42.46 37.76 2fnb s ILE 39 CO -0.11 0.03 0.24 -0.89 -0.10 0.00 0.00 174.94 174.11 2fnb s THR 40 N -1.69 -0.31 -0.10 2.92 2.01 0.75 -1.56 115.64 117.66 2fnb s THR 40 Ca 0.43 -0.44 -0.24 0.00 0.31 0.00 0.00 61.69 61.75 2fnb s THR 40 Cb -0.12 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2fnb s THR 40 CO 0.23 -0.45 0.75 0.68 -0.69 0.00 0.00 174.62 175.14 2fnb s VAL 41 N 2.30 4.99 0.30 3.82 -7.23 -0.19 -0.98 120.40 123.40 2fnb s VAL 41 Ca 0.09 1.52 0.08 0.00 -1.81 0.00 0.00 61.98 61.85 2fnb s VAL 41 Cb -0.15 -4.08 -0.06 0.00 0.56 0.00 0.00 36.38 32.65 2fnb s VAL 41 CO -0.28 0.17 -0.07 0.68 -0.31 0.00 0.00 175.10 175.29 2fnb s VAL 42 N 1.26 1.86 -0.43 1.32 -7.23 -0.41 -1.09 120.40 115.69 2fnb s VAL 42 Ca 0.38 -2.16 -0.21 0.00 -1.81 0.00 0.00 61.98 58.18 2fnb s VAL 42 Cb -0.17 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2fnb s VAL 42 CO 0.17 -0.27 0.67 0.00 -0.31 0.00 0.00 175.10 175.36 2fnb s ALA 43 N -2.87 3.35 0.00 1.32 0.00 0.41 -0.79 121.76 123.19 2fnb s ALA 43 Ca 0.30 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2fnb s ALA 43 Cb 0.03 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2fnb s ALA 43 CO 0.13 -1.75 0.00 0.00 0.00 0.00 0.00 175.76 174.14 2fnb n ALA 44 N 6.32 0.00 0.02 0.00 0.00 0.93 -2.47 120.51 125.32 2fnb n ALA 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2fnb n ALA 44 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2fnb n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fnb n GLY 45 N 0.00 -0.01 0.05 0.00 0.00 -1.26 -3.20 105.19 100.76 2fnb n GLY 45 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2fnb n GLY 45 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fnb n GLU 46 N -0.63 0.12 0.00 1.61 2.13 -1.03 -4.90 120.64 117.93 2fnb n GLU 46 Ca 0.00 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2fnb n GLU 46 Cb 0.00 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2fnb n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fnb n GLY 47 N 1.41 2.09 3.41 8.31 0.00 -1.20 -4.95 105.19 114.26 2fnb n GLY 47 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 2fnb n GLY 47 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fnb n ILE 48 N -1.96 0.04 -2.44 -0.61 5.41 -1.26 -4.81 119.36 113.73 2fnb n ILE 48 Ca 0.00 -0.15 -0.42 0.00 1.00 0.00 0.00 62.75 63.17 2fnb n ILE 48 Cb 0.00 -1.05 -0.03 0.00 -0.71 0.00 0.00 39.64 37.85 2fnb n ILE 48 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2fnb s PRO 49 N 7.24 4.41 -0.09 0.38 0.04 -1.26 -0.44 135.00 145.27 2fnb s PRO 49 Ca 1.20 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 63.94 2fnb s PRO 49 Cb -1.11 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 29.99 2fnb s PRO 49 CO 0.52 -0.32 -0.07 0.82 0.04 0.00 0.00 177.00 178.00 2fnb h ILE 50 N 4.69 0.00 -2.94 0.56 1.08 -1.42 -3.47 117.51 116.01 2fnb h ILE 50 Ca -0.39 -0.76 -0.06 0.00 -0.39 0.00 0.00 64.86 63.25 2fnb h ILE 50 Cb 1.20 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.79 2fnb h ILE 50 CO 0.83 0.00 -0.02 0.12 -0.69 0.00 0.00 178.15 178.39 2fnb s PHE 51 N -1.67 -0.34 0.02 1.37 5.36 -1.00 -5.03 117.98 116.68 2fnb s PHE 51 Ca -0.05 0.32 -0.05 0.00 -0.96 0.00 0.00 56.93 56.18 2fnb s PHE 51 Cb 0.01 0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.97 2fnb s PHE 51 CO 0.08 -0.63 0.08 -1.83 -1.46 0.00 0.00 175.22 171.46 2fnb s GLU 52 N -2.62 0.47 0.00 10.12 4.04 -1.26 -1.02 118.70 128.44 2fnb s GLU 52 Ca -0.04 -0.58 -0.28 0.00 0.04 0.00 0.00 54.97 54.11 2fnb s GLU 52 Cb -0.00 0.19 0.10 0.00 0.02 0.00 0.00 34.13 34.43 2fnb s GLU 52 CO -0.03 -0.11 0.84 0.16 -1.84 0.00 0.00 175.26 174.28 2fnb s ASP 53 N -1.66 -0.42 0.05 0.83 -4.77 -0.60 -4.99 116.67 105.11 2fnb s ASP 53 Ca -0.12 0.08 0.01 0.00 -3.30 0.00 0.00 52.55 49.23 2fnb s ASP 53 Cb -0.06 0.42 -0.03 0.00 -1.09 0.00 0.00 42.92 42.16 2fnb s ASP 53 CO -0.01 -0.65 -0.05 -0.36 0.70 0.00 0.00 175.17 174.79 2fnb s PHE 54 N -2.91 0.58 0.34 2.11 0.40 -1.26 -0.69 117.98 116.54 2fnb s PHE 54 Ca 0.03 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.66 2fnb s PHE 54 Cb -0.01 -0.37 -0.01 0.00 0.51 0.00 0.00 43.02 43.15 2fnb s PHE 54 CO -0.08 -0.19 0.08 1.33 0.70 0.00 0.00 175.22 177.06 2fnb n VAL 55 N 0.90 0.00 0.21 -0.44 0.24 -1.10 -4.99 118.33 113.15 2fnb n VAL 55 Ca -0.19 -1.81 -0.12 0.00 -2.04 0.00 0.00 64.34 60.17 2fnb n VAL 55 Cb 0.57 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.43 2fnb n VAL 55 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2fnb h ASP 56 N 1.14 -0.50 0.00 -1.34 1.82 -1.92 -3.40 116.42 112.22 2fnb h ASP 56 Ca -0.27 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 2fnb h ASP 56 Cb 0.94 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2fnb h ASP 56 CO 0.43 -0.09 0.00 -0.24 -1.61 0.00 0.00 179.24 177.73 2fnb n SER 57 N -5.19 0.00 -2.02 2.28 2.88 -1.26 -4.67 113.62 105.65 2fnb n SER 57 Ca -0.09 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.37 2fnb n SER 57 Cb 0.29 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.81 2fnb n SER 57 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2fnb n SER 58 N 0.00 2.78 -4.73 -3.46 3.41 -1.26 -4.56 113.62 105.79 2fnb n SER 58 Ca 0.00 -2.95 -0.41 0.00 -0.26 0.00 0.00 58.87 55.25 2fnb n SER 58 Cb 0.00 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 2fnb n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2fnb s VAL 59 N -3.51 3.79 -0.18 -3.33 1.01 -1.26 -4.80 120.40 112.13 2fnb s VAL 59 Ca 0.39 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.88 2fnb s VAL 59 Cb 0.37 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 2fnb s VAL 59 CO -0.03 0.23 0.29 0.61 0.00 0.00 0.00 175.10 176.20 2fnb n GLY 60 N 2.24 -0.08 2.87 4.51 0.00 -1.26 -4.21 105.19 109.27 2fnb n GLY 60 Ca 0.04 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2fnb n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fnb s TYR 61 N -0.76 -0.09 0.15 1.61 6.14 -1.26 -1.03 117.35 122.11 2fnb s TYR 61 Ca 0.02 0.34 -0.02 0.00 0.64 0.00 0.00 57.07 58.04 2fnb s TYR 61 Cb 0.02 -0.13 -0.04 0.00 0.42 0.00 0.00 41.96 42.23 2fnb s TYR 61 CO 0.06 -0.13 0.11 -0.47 0.64 0.00 0.00 175.55 175.76 2fnb s TYR 62 N 1.05 0.87 -0.06 4.97 5.04 -1.02 -4.99 117.35 123.20 2fnb s TYR 62 Ca -0.08 -1.20 -0.17 0.00 -2.44 0.00 0.00 57.07 53.17 2fnb s TYR 62 Cb -0.11 -0.43 0.04 0.00 0.35 0.00 0.00 41.96 41.80 2fnb s TYR 62 CO -0.04 -0.59 0.40 0.99 -1.34 0.00 0.00 175.55 174.97 2fnb s THR 63 N -4.07 0.03 0.09 4.34 2.01 -1.26 -0.30 115.64 116.48 2fnb s THR 63 Ca 0.27 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2fnb s THR 63 Cb 0.07 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2fnb s THR 63 CO 0.04 -0.15 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.07 2fnb s VAL 64 N -0.85 0.67 0.32 3.82 1.01 0.21 -4.99 120.40 120.59 2fnb s VAL 64 Ca -0.09 -1.79 0.06 0.00 0.00 0.00 0.00 61.98 60.16 2fnb s VAL 64 Cb -0.04 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2fnb s VAL 64 CO 0.04 -0.79 0.25 -0.89 0.00 0.00 0.00 175.10 173.71 2fnb s THR 65 N -3.24 0.05 -0.80 3.92 2.01 -1.26 -1.43 115.64 114.89 2fnb s THR 65 Ca 0.08 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.08 2fnb s THR 65 Cb 0.03 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.05 2fnb s THR 65 CO -0.04 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2fnb n GLY 66 N -0.61 0.65 3.80 4.40 0.00 -1.26 -4.99 105.19 107.18 2fnb n GLY 66 Ca 0.06 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2fnb n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fnb s LEU 67 N -2.02 2.54 -0.06 0.99 0.20 -1.26 -5.04 118.68 114.03 2fnb s LEU 67 Ca 0.00 1.31 -0.04 0.00 0.69 0.00 0.00 54.13 56.09 2fnb s LEU 67 Cb 0.00 -3.89 0.02 0.00 -0.43 0.00 0.00 46.19 41.89 2fnb s LEU 67 CO 0.00 -2.06 0.14 -0.70 -0.29 0.00 0.00 176.35 173.44 2fnb s GLU 68 N -5.14 0.13 0.85 1.98 2.12 -1.26 -4.97 118.70 112.41 2fnb s GLU 68 Ca 0.61 0.26 -0.11 0.00 0.36 0.00 0.00 54.97 56.10 2fnb s GLU 68 Cb -0.15 -0.03 0.10 0.00 0.26 0.00 0.00 34.13 34.32 2fnb s GLU 68 CO 0.54 -0.08 1.10 -1.25 -0.54 0.00 0.00 175.26 175.03 2fnb s PRO 69 N 0.53 1.60 0.00 4.30 0.04 -1.26 -4.26 135.00 135.94 2fnb s PRO 69 Ca -0.04 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2fnb s PRO 69 Cb -0.05 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2fnb s PRO 69 CO -0.02 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.33 2fnb n GLY 70 N -0.79 1.81 3.62 0.56 0.00 -1.26 -5.05 105.19 104.08 2fnb n GLY 70 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2fnb n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fnb s ILE 71 N -2.41 3.56 -0.06 -0.61 -1.09 -1.26 -5.00 121.20 114.33 2fnb s ILE 71 Ca 0.00 -1.33 -0.29 0.00 -2.23 0.00 0.00 60.65 56.80 2fnb s ILE 71 Cb 0.00 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2fnb s ILE 71 CO 0.00 0.01 0.97 -0.62 -1.23 0.00 0.00 174.94 174.08 2fnb s ASP 72 N -2.54 7.28 -0.20 3.58 2.15 -1.26 -4.08 116.67 121.60 2fnb s ASP 72 Ca 0.24 1.56 -0.01 0.00 0.43 0.00 0.00 52.55 54.78 2fnb s ASP 72 Cb -0.10 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 2fnb s ASP 72 CO 0.16 -0.34 -0.13 -0.31 -0.17 0.00 0.00 175.17 174.38 2fnb s TYR 73 N 1.49 2.85 -0.63 -5.34 1.51 -0.79 -0.05 117.35 116.39 2fnb s TYR 73 Ca 0.49 -1.32 -0.25 0.00 -1.01 0.00 0.00 57.07 54.98 2fnb s TYR 73 Cb -0.19 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 39.71 2fnb s TYR 73 CO 0.22 -0.68 1.05 -0.51 -1.11 0.00 0.00 175.55 174.52 2fnb s ASP 74 N 1.34 6.25 -0.89 2.29 1.11 0.03 -1.91 116.67 124.90 2fnb s ASP 74 Ca 0.05 -0.55 -0.16 0.00 0.18 0.00 0.00 52.55 52.06 2fnb s ASP 74 Cb -0.14 -2.47 0.17 0.00 1.07 0.00 0.00 42.92 41.56 2fnb s ASP 74 CO -0.08 -1.47 0.97 -0.63 1.18 0.00 0.00 175.17 175.14 2fnb s ILE 75 N 4.49 5.16 0.17 0.77 1.01 -0.84 -1.28 121.20 130.68 2fnb s ILE 75 Ca 0.30 -2.04 -0.05 0.00 0.00 0.00 0.00 60.65 58.85 2fnb s ILE 75 Cb -0.13 -4.64 -0.06 0.00 0.01 0.00 0.00 42.46 37.65 2fnb s ILE 75 CO 0.16 -1.29 0.41 -0.94 0.00 0.00 0.00 174.94 173.29 2fnb s SER 76 N 2.90 6.51 -0.13 3.58 1.04 -0.16 -1.99 113.70 125.46 2fnb s SER 76 Ca 0.26 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.29 2fnb s SER 76 Cb -0.07 -2.11 0.06 0.00 0.10 0.00 0.00 66.02 63.99 2fnb s SER 76 CO -0.09 0.02 0.27 -0.69 0.98 0.00 0.00 173.24 173.72 2fnb s VAL 77 N -1.71 -0.28 -0.03 5.02 1.01 -0.21 -0.18 120.40 124.01 2fnb s VAL 77 Ca 0.42 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.70 2fnb s VAL 77 Cb -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2fnb s VAL 77 CO 0.24 0.09 -0.23 -0.63 0.00 0.00 0.00 175.10 174.58 2fnb s ILE 78 N 2.01 2.29 -0.30 2.22 1.01 0.27 -1.06 121.20 127.64 2fnb s ILE 78 Ca -0.03 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.52 2fnb s ILE 78 Cb -0.11 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 2fnb s ILE 78 CO -0.09 0.58 0.11 -0.89 0.00 0.00 0.00 174.94 174.66 2fnb s THR 79 N -0.60 4.32 -0.06 2.92 2.01 -1.26 -0.78 115.64 122.19 2fnb s THR 79 Ca 0.09 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2fnb s THR 79 Cb -0.10 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 2fnb s THR 79 CO -0.00 0.11 -0.16 -1.48 -0.69 0.00 0.00 174.62 172.39 2fnb s LEU 80 N 1.57 2.59 0.00 4.42 2.34 -1.08 -1.08 118.68 127.44 2fnb s LEU 80 Ca 0.04 -0.28 0.04 0.00 0.06 0.00 0.00 54.13 53.99 2fnb s LEU 80 Cb -0.17 -1.52 -0.02 0.00 -0.56 0.00 0.00 46.19 43.92 2fnb s LEU 80 CO 0.04 0.30 0.15 2.30 -1.06 0.00 0.00 176.35 178.08 2fnb n ILE 81 N 2.62 0.00 -1.03 1.48 -5.35 0.15 -0.89 119.36 116.35 2fnb n ILE 81 Ca -0.17 -1.66 -0.40 0.00 -0.27 0.00 0.00 62.75 60.25 2fnb n ILE 81 Cb 0.52 0.71 -0.10 0.00 -1.74 0.00 0.00 39.64 39.03 2fnb n ILE 81 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2fnb n ASN 82 N -1.88 0.43 -2.41 7.28 5.15 -0.75 -2.58 115.26 120.49 2fnb n ASN 82 Ca 0.00 0.36 -0.14 0.00 -0.60 0.00 0.00 54.58 54.21 2fnb n ASN 82 Cb 0.42 -0.69 -0.01 0.00 -0.53 0.00 0.00 39.78 38.97 2fnb n ASN 82 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fnb n GLY 83 N 5.39 -0.45 3.54 8.20 0.00 -1.26 -4.87 105.19 115.73 2fnb n GLY 83 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 2fnb n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fnb s GLY 84 N -2.04 -0.39 0.08 -0.02 0.00 -1.07 -5.17 107.32 98.71 2fnb s GLY 84 Ca 0.00 1.33 0.04 0.00 0.00 0.00 0.00 44.72 46.09 2fnb s GLY 84 CO 0.00 0.51 -0.12 -0.54 0.00 0.00 0.00 173.10 172.94 2fnb s GLU 85 N -2.60 0.80 0.09 2.90 8.01 -1.26 -0.68 118.70 125.97 2fnb s GLU 85 Ca 0.05 -0.99 -0.01 0.00 0.01 0.00 0.00 54.97 54.03 2fnb s GLU 85 Cb -0.01 -0.70 0.02 0.00 -4.31 0.00 0.00 34.13 29.13 2fnb s GLU 85 CO -0.06 0.14 0.13 0.43 0.01 0.00 0.00 175.26 175.91 2fnb n SER 86 N 1.10 0.07 -4.76 -0.19 7.64 -0.24 -4.73 113.62 112.50 2fnb n SER 86 Ca -0.20 -1.08 -0.39 0.00 1.01 0.00 0.00 58.87 58.21 2fnb n SER 86 Cb 0.55 -0.09 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2fnb n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fnb s ALA 87 N -3.51 3.02 0.29 -0.43 0.00 -1.26 -4.83 121.76 115.04 2fnb s ALA 87 Ca 0.08 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 2fnb s ALA 87 Cb -0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 2fnb s ALA 87 CO 0.05 -1.29 1.46 -1.25 0.00 0.00 0.00 175.76 174.74 2fnb s PRO 88 N -2.69 4.22 -0.52 0.00 0.04 -1.26 -4.65 135.00 130.14 2fnb s PRO 88 Ca 0.67 2.40 -0.06 0.00 0.04 0.00 0.00 61.00 64.04 2fnb s PRO 88 Cb -0.42 -3.06 0.14 0.00 0.04 0.00 0.00 34.50 31.20 2fnb s PRO 88 CO 0.52 -0.45 0.36 0.95 0.04 0.00 0.00 177.00 178.41 2fnb s THR 89 N -0.36 3.87 0.01 1.26 -4.23 -0.23 -5.01 115.64 110.96 2fnb s THR 89 Ca 0.58 -2.26 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 2fnb s THR 89 Cb -0.44 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 69.81 2fnb s THR 89 CO 0.49 -0.80 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.74 2fnb s THR 90 N 0.80 3.09 -0.18 3.99 2.01 -1.26 -1.05 115.64 123.04 2fnb s THR 90 Ca 0.11 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 2fnb s THR 90 Cb -0.22 -2.29 0.06 0.00 0.01 0.00 0.00 72.50 70.05 2fnb s THR 90 CO -0.03 0.42 0.03 -0.76 -0.69 0.00 0.00 174.62 173.58 2fnb s LEU 91 N -1.25 1.18 0.45 4.42 1.43 -0.84 -4.98 118.68 119.08 2fnb s LEU 91 Ca 0.15 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2fnb s LEU 91 Cb -0.11 -0.61 -0.06 0.00 0.03 0.00 0.00 46.19 45.44 2fnb s LEU 91 CO 0.05 -0.29 0.83 0.28 0.23 0.00 0.00 176.35 177.45 2fnb s THR 92 N 1.85 4.73 -0.28 5.49 -1.32 -1.26 -1.98 115.64 122.87 2fnb s THR 92 Ca -0.00 0.75 -0.18 0.00 -1.21 0.00 0.00 61.69 61.04 2fnb s THR 92 Cb -0.17 -3.74 0.10 0.00 -1.51 0.00 0.00 72.50 67.18 2fnb s THR 92 CO -0.08 -0.61 0.80 -1.58 -2.21 0.00 0.00 174.62 170.95 2fnb s GLN 93 N -4.02 0.61 -1.16 7.08 2.00 -0.80 -4.96 119.66 118.41 2fnb s GLN 93 Ca 0.53 0.99 -0.10 0.00 -2.00 0.00 0.00 55.36 54.78 2fnb s GLN 93 Cb -0.10 0.16 0.24 0.00 0.80 0.00 0.00 33.01 34.11 2fnb s GLN 93 CO 0.33 -0.12 1.29 0.94 -0.50 0.00 0.00 175.29 177.24 2fnb n GLN 94 N 3.80 3.57 -0.45 1.67 7.27 -1.26 -1.88 117.38 130.09 2fnb n GLN 94 Ca -0.18 -4.22 0.00 0.00 0.07 0.00 0.00 57.00 52.67 2fnb n GLN 94 Cb 0.58 -2.73 0.00 0.00 2.41 0.00 0.00 30.24 30.50 2fnb n GLN 94 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54