#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 0.00 -0.27 0.03 -4.01 -1.26 -5.14 116.66 106.02 2fnb n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2fnb n ARG 2 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2fnb n ARG 2 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2fnb n GLY 3 N 0.00 0.48 3.46 2.89 0.00 -1.26 -5.09 105.19 105.67 2fnb n GLY 3 Ca 0.00 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 2fnb n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2fnb n SER 4 N 0.00 -3.33 0.00 1.61 3.41 -1.26 -5.00 113.62 109.05 2fnb n SER 4 Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 2fnb n SER 4 Cb 0.00 -5.06 0.00 0.00 -0.26 0.00 0.00 64.21 58.89 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 -4.36 0.00 -2.54 4.33 4.07 -1.26 -4.76 120.64 116.12 2fnb n GLU 5 Ca -0.20 0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.50 2fnb n GLU 5 Cb 0.64 -0.85 -0.04 0.00 -0.06 0.00 0.00 31.44 31.13 2fnb n GLU 5 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2fnb s VAL 6 N -0.71 4.10 -0.25 6.31 1.01 -1.26 -4.96 120.40 124.64 2fnb s VAL 6 Ca 0.00 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 2fnb s VAL 6 Cb 0.00 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2fnb s VAL 6 CO 0.00 0.23 1.31 -2.16 0.00 0.00 0.00 175.10 174.47 2fnb s PRO 7 N 0.20 4.02 1.10 2.72 0.04 -1.26 -4.63 135.00 137.19 2fnb s PRO 7 Ca 0.52 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 2fnb s PRO 7 Cb -0.28 -3.85 0.25 0.00 0.04 0.00 0.00 34.50 30.66 2fnb s PRO 7 CO 0.32 -0.99 1.19 1.14 0.04 0.00 0.00 177.00 178.70 2fnb s GLN 8 N 3.97 -0.45 -1.03 4.56 -2.07 -1.26 -4.91 119.66 118.47 2fnb s GLN 8 Ca 0.57 -0.17 -0.23 0.00 -1.82 0.00 0.00 55.36 53.70 2fnb s GLN 8 Cb -0.19 -1.70 -0.12 0.00 -1.09 0.00 0.00 33.01 29.91 2fnb s GLN 8 CO 0.20 -3.18 1.93 1.28 -1.32 0.00 0.00 175.29 174.20 2fnb n LEU 9 N -4.36 3.25 0.27 2.60 4.77 -1.26 -4.68 117.00 117.59 2fnb n LEU 9 Ca 0.14 -3.03 0.11 0.00 -0.03 0.00 0.00 56.01 53.19 2fnb n LEU 9 Cb 0.59 -1.53 0.75 0.00 -2.33 0.00 0.00 43.42 40.90 2fnb n LEU 9 CO 0.46 -1.48 1.08 0.74 -1.33 0.00 0.00 177.39 176.85 2fnb h THR 10 N 5.66 0.80 -0.06 -5.08 2.02 -1.97 -2.10 112.91 112.18 2fnb h THR 10 Ca 0.27 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.38 2fnb h THR 10 Cb 0.86 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2fnb h THR 10 CO 1.45 0.02 0.00 -0.67 0.37 0.00 0.00 175.52 176.69 2fnb n ASP 11 N -4.21 0.66 -4.65 4.18 -0.08 -1.26 -4.92 116.55 106.28 2fnb n ASP 11 Ca -0.03 -1.51 -0.42 0.00 -1.51 0.00 0.00 54.79 51.32 2fnb n ASP 11 Cb 0.10 -0.04 -0.03 0.00 2.34 0.00 0.00 41.12 43.50 2fnb n ASP 11 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2fnb s LEU 12 N -1.61 4.18 0.20 -2.67 1.98 -0.79 -4.30 118.68 115.66 2fnb s LEU 12 Ca 0.31 2.29 -0.15 0.00 -2.89 0.00 0.00 54.13 53.69 2fnb s LEU 12 Cb 0.15 -3.53 0.01 0.00 0.66 0.00 0.00 46.19 43.49 2fnb s LEU 12 CO 0.24 -1.19 0.46 -0.44 -1.89 0.00 0.00 176.35 173.53 2fnb s SER 13 N 4.71 -0.15 0.29 3.68 0.01 -0.66 -5.03 113.70 116.55 2fnb s SER 13 Ca 0.84 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 57.48 2fnb s SER 13 Cb -0.36 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 2fnb s SER 13 CO 0.36 -1.03 0.45 -0.36 0.41 0.00 0.00 173.24 173.07 2fnb s PHE 14 N -3.92 3.45 0.26 2.43 0.08 -1.26 -0.43 117.98 118.59 2fnb s PHE 14 Ca 0.13 0.13 -0.04 0.00 0.12 0.00 0.00 56.93 57.27 2fnb s PHE 14 Cb 0.00 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2fnb s PHE 14 CO -0.00 0.28 0.33 0.14 -0.10 0.00 0.00 175.22 175.86 2fnb s VAL 15 N -2.14 0.00 -1.33 -0.44 -7.23 -0.36 -4.81 120.40 104.09 2fnb s VAL 15 Ca 0.37 -1.73 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 2fnb s VAL 15 Cb -0.09 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2fnb s VAL 15 CO 0.32 0.00 1.01 0.47 -0.31 0.00 0.00 175.10 176.59 2fnb n ASP 16 N -0.66 -3.85 -2.31 4.85 8.00 -1.26 -0.35 116.55 120.97 2fnb n ASP 16 Ca 0.01 -0.66 -0.18 0.00 0.71 0.00 0.00 54.79 54.67 2fnb n ASP 16 Cb 0.63 -4.68 -0.14 0.00 -0.02 0.00 0.00 41.12 36.91 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 -4.56 3.32 -1.96 0.53 2.08 -1.26 -3.80 119.36 113.71 2fnb n ILE 17 Ca -0.13 -1.77 -0.29 0.00 0.56 0.00 0.00 62.75 61.12 2fnb n ILE 17 Cb 0.61 -2.14 0.14 0.00 -0.75 0.00 0.00 39.64 37.50 2fnb n ILE 17 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2fnb s THR 18 N 1.24 2.02 -1.88 1.39 -1.32 -1.22 -4.99 115.64 110.89 2fnb s THR 18 Ca 0.68 -0.04 0.31 0.00 -1.21 0.00 0.00 61.69 61.43 2fnb s THR 18 Cb 0.29 -2.98 0.81 0.00 -1.51 0.00 0.00 72.50 69.10 2fnb s THR 18 CO -0.02 0.00 2.17 0.47 -2.21 0.00 0.00 174.62 175.04 2fnb n ASP 19 N -3.53 0.05 0.00 8.08 8.00 -1.26 -3.99 116.55 123.90 2fnb n ASP 19 Ca 0.12 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2fnb n ASP 19 Cb 0.60 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2fnb n ASP 19 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2fnb n SER 20 N -1.03 0.80 -3.67 -2.24 3.41 -1.26 -4.70 113.62 104.93 2fnb n SER 20 Ca 0.22 -1.07 0.01 0.00 -0.26 0.00 0.00 58.87 57.77 2fnb n SER 20 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2fnb n SER 20 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2fnb s SER 21 N -0.07 -0.04 0.04 4.04 1.04 -1.26 -4.78 113.70 112.67 2fnb s SER 21 Ca 0.00 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.32 2fnb s SER 21 Cb 0.00 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 2fnb s SER 21 CO 0.00 -0.35 -0.24 -0.51 0.98 0.00 0.00 173.24 173.12 2fnb s ILE 22 N -2.31 1.93 0.30 -1.02 2.07 -0.02 -3.42 121.20 118.72 2fnb s ILE 22 Ca 0.19 -1.27 0.06 0.00 -1.41 0.00 0.00 60.65 58.22 2fnb s ILE 22 Cb 0.03 -1.65 -0.02 0.00 0.13 0.00 0.00 42.46 40.95 2fnb s ILE 22 CO -0.02 0.33 0.40 -0.83 -1.91 0.00 0.00 174.94 172.90 2fnb s GLY 23 N -1.13 1.48 0.14 1.50 0.00 0.53 -0.40 107.32 109.44 2fnb s GLY 23 Ca 0.10 -1.41 0.05 0.00 0.00 0.00 0.00 44.72 43.46 2fnb s GLY 23 CO 0.02 -1.36 -0.12 1.08 0.00 0.00 0.00 173.10 172.71 2fnb s LEU 24 N -4.07 2.48 0.02 0.66 1.02 0.61 -1.23 118.68 118.17 2fnb s LEU 24 Ca 0.40 -0.92 0.01 0.00 0.02 0.00 0.00 54.13 53.64 2fnb s LEU 24 Cb -0.09 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.66 2fnb s LEU 24 CO 0.30 -0.24 -0.04 0.00 0.02 0.00 0.00 176.35 176.38 2fnb s ARG 25 N -3.27 0.35 0.37 1.70 1.70 0.43 -2.88 118.95 117.36 2fnb s ARG 25 Ca 0.13 -0.54 -0.07 0.00 -0.47 0.00 0.00 55.73 54.78 2fnb s ARG 25 Cb -0.01 -0.07 0.03 0.00 -0.57 0.00 0.00 34.95 34.33 2fnb s ARG 25 CO 0.02 0.00 0.62 -2.67 -1.08 0.00 0.00 175.30 172.19 2fnb n TRP 26 N 1.86 -1.85 -3.17 5.89 2.14 -1.25 -1.65 117.44 119.40 2fnb n TRP 26 Ca -0.21 -2.14 -0.43 0.00 2.07 0.00 0.00 57.50 56.78 2fnb n TRP 26 Cb 0.56 0.71 -0.07 0.00 -0.81 0.00 0.00 31.31 31.71 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 -2.51 4.90 0.34 -1.67 2.01 -1.26 -4.64 115.64 112.81 2fnb s THR 27 Ca 0.23 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 2fnb s THR 27 Cb -0.03 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.13 2fnb s THR 27 CO 0.17 -0.71 1.45 -2.16 -0.69 0.00 0.00 174.62 172.68 2fnb s PRO 28 N 2.59 4.19 -0.13 4.92 0.04 -1.26 -4.99 135.00 140.35 2fnb s PRO 28 Ca 0.16 2.46 -0.14 0.00 0.04 0.00 0.00 61.00 63.52 2fnb s PRO 28 Cb -0.18 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 2fnb s PRO 28 CO 0.13 -0.45 0.31 -0.51 0.04 0.00 0.00 177.00 176.52 2fnb s LEU 29 N -1.67 4.29 -0.18 -3.56 1.43 -1.26 -4.99 118.68 112.73 2fnb s LEU 29 Ca 0.54 0.59 0.16 0.00 -1.03 0.00 0.00 54.13 54.38 2fnb s LEU 29 Cb -0.45 -2.40 0.64 0.00 0.03 0.00 0.00 46.19 44.02 2fnb s LEU 29 CO 0.57 0.15 1.55 0.59 0.23 0.00 0.00 176.35 179.44 2fnb n ASN 30 N 3.22 4.58 -4.72 2.29 3.02 -1.26 -4.51 115.26 117.88 2fnb n ASN 30 Ca -0.12 -2.85 -0.32 0.00 -0.03 0.00 0.00 54.58 51.25 2fnb n ASN 30 Cb 0.52 -0.58 0.12 0.00 -0.61 0.00 0.00 39.78 39.23 2fnb n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2fnb s SER 31 N -1.35 3.85 -0.10 6.41 1.04 -1.26 -4.87 113.70 117.42 2fnb s SER 31 Ca 0.46 2.10 -0.02 0.00 0.48 0.00 0.00 55.95 58.97 2fnb s SER 31 Cb 0.35 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 2fnb s SER 31 CO 0.14 -2.48 2.54 -1.54 0.98 0.00 0.00 173.24 172.87 2fnb n SER 32 N -3.54 5.62 0.00 7.02 3.41 -1.26 -3.59 113.62 121.28 2fnb n SER 32 Ca 0.11 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 2fnb n SER 32 Cb 0.52 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 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 1.53 0.00 -1.83 6.66 -1.04 -1.26 -5.09 114.28 113.25 2fnb n THR 33 Ca 0.22 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.81 2fnb n THR 33 Cb 0.64 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.12 2fnb n THR 33 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2fnb s ILE 34 N -0.07 3.18 -0.11 12.58 -1.16 -1.24 -2.78 121.20 131.60 2fnb s ILE 34 Ca 0.00 0.33 -0.21 0.00 -0.51 0.00 0.00 60.65 60.26 2fnb s ILE 34 Cb 0.00 -3.22 -0.27 0.00 0.61 0.00 0.00 42.46 39.59 2fnb s ILE 34 CO 0.00 -0.02 0.64 0.40 -2.81 0.00 0.00 174.94 173.14 2fnb h ILE 35 N 5.41 1.31 0.00 2.00 2.04 -1.81 -3.48 117.51 122.98 2fnb h ILE 35 Ca -0.45 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.03 2fnb h ILE 35 Cb 1.21 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 2fnb h ILE 35 CO 0.94 0.62 0.00 0.61 0.00 0.00 0.00 178.15 180.33 2fnb n GLY 36 N 1.64 -0.56 2.97 5.37 0.00 -1.18 -4.27 105.19 109.15 2fnb n GLY 36 Ca -0.20 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.64 0.34 -0.16 1.61 1.51 -1.26 -1.97 117.35 113.78 2fnb s TYR 37 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 2fnb s TYR 37 Cb 0.00 -0.22 0.03 0.00 -0.11 0.00 0.00 41.96 41.66 2fnb s TYR 37 CO 0.00 -0.09 -0.13 0.50 -1.11 0.00 0.00 175.55 174.72 2fnb s ARG 38 N -0.90 2.23 -0.26 -0.62 3.00 0.09 -2.77 118.95 119.72 2fnb s ARG 38 Ca -0.07 -0.62 -0.02 0.00 -1.00 0.00 0.00 55.73 54.01 2fnb s ARG 38 Cb -0.06 -2.17 0.02 0.00 0.00 0.00 0.00 34.95 32.74 2fnb s ARG 38 CO -0.00 -0.28 -0.04 0.42 0.00 0.00 0.00 175.30 175.40 2fnb s ILE 39 N 1.47 3.06 -0.29 4.11 1.01 -0.46 -1.22 121.20 128.89 2fnb s ILE 39 Ca 0.04 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2fnb s ILE 39 Cb -0.14 -2.56 0.08 0.00 0.01 0.00 0.00 42.46 39.86 2fnb s ILE 39 CO -0.10 0.18 0.03 -0.89 0.00 0.00 0.00 174.94 174.16 2fnb s THR 40 N 1.36 1.46 0.07 2.92 2.01 0.20 -0.45 115.64 123.21 2fnb s THR 40 Ca 0.01 -1.56 -0.21 0.00 0.31 0.00 0.00 61.69 60.23 2fnb s THR 40 Cb -0.17 -1.96 -0.07 0.00 0.01 0.00 0.00 72.50 70.32 2fnb s THR 40 CO -0.03 -0.44 0.63 0.68 -0.69 0.00 0.00 174.62 174.77 2fnb s VAL 41 N 1.36 4.70 0.17 3.82 -7.23 -0.90 -1.64 120.40 120.68 2fnb s VAL 41 Ca 0.04 1.36 0.03 0.00 -1.81 0.00 0.00 61.98 61.60 2fnb s VAL 41 Cb -0.18 -3.97 -0.05 0.00 0.56 0.00 0.00 36.38 32.74 2fnb s VAL 41 CO -0.13 0.50 -0.03 0.68 -0.31 0.00 0.00 175.10 175.81 2fnb s VAL 42 N -0.83 0.87 -0.27 1.32 -7.23 -0.76 -1.86 120.40 111.65 2fnb s VAL 42 Ca 0.32 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 2fnb s VAL 42 Cb -0.20 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2fnb s VAL 42 CO 0.20 -0.54 0.99 0.00 -0.31 0.00 0.00 175.10 175.44 2fnb s ALA 43 N -3.53 3.61 -0.81 1.32 0.00 -0.50 -1.44 121.76 120.42 2fnb s ALA 43 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2fnb s ALA 43 Cb 0.05 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2fnb s ALA 43 CO 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 175.76 174.62 2fnb n ALA 44 N 6.42 -0.12 -1.37 0.00 0.00 0.95 -0.36 120.51 126.03 2fnb n ALA 44 Ca 0.10 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 2fnb n ALA 44 Cb 0.47 -1.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 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 0.49 1.30 0.00 0.00 0.00 -1.26 -4.81 105.19 100.92 2fnb n GLY 45 Ca -0.08 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.83 0.30 0.00 1.61 2.13 0.51 -4.87 120.64 118.50 2fnb n GLU 46 Ca -0.13 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2fnb n GLU 46 Cb 0.52 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 0.83 2.95 3.48 8.31 0.00 -1.26 -5.04 105.19 114.47 2fnb n GLY 47 Ca 0.11 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -0.00 -2.38 -0.61 5.41 -1.26 -4.92 119.36 115.60 2fnb n ILE 48 Ca 0.00 -0.20 -0.33 0.00 1.00 0.00 0.00 62.75 63.22 2fnb n ILE 48 Cb 0.00 -1.09 -0.02 0.00 -0.71 0.00 0.00 39.64 37.81 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 8.36 3.72 0.00 0.38 0.04 -1.26 -1.41 135.00 144.83 2fnb s PRO 49 Ca 1.24 1.19 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2fnb s PRO 49 Cb -1.01 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2fnb s PRO 49 CO 0.46 -0.48 0.00 -0.89 0.04 0.00 0.00 177.00 176.13 2fnb n ILE 50 N -1.42 0.00 -4.10 0.56 -0.00 -0.77 -4.82 119.36 108.81 2fnb n ILE 50 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.72 2fnb n ILE 50 Cb 0.53 -0.26 -0.07 0.00 -0.00 0.00 0.00 39.64 39.83 2fnb n ILE 50 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 2fnb s PHE 51 N 0.22 0.78 -0.16 1.39 -0.12 -1.23 -5.02 117.98 113.84 2fnb s PHE 51 Ca 0.00 -1.07 0.00 0.00 -0.05 0.00 0.00 56.93 55.82 2fnb s PHE 51 Cb 0.00 -0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 2fnb s PHE 51 CO 0.00 -0.84 -0.16 -1.83 -0.05 0.00 0.00 175.22 172.34 2fnb s GLU 52 N -4.03 3.17 0.24 1.99 4.04 -1.26 -2.11 118.70 120.74 2fnb s GLU 52 Ca 0.31 -0.76 0.06 0.00 0.04 0.00 0.00 54.97 54.61 2fnb s GLU 52 Cb 0.03 -2.63 -0.03 0.00 0.02 0.00 0.00 34.13 31.52 2fnb s GLU 52 CO 0.11 -0.04 0.24 0.34 -1.84 0.00 0.00 175.26 174.07 2fnb s ASP 53 N 0.94 5.77 0.12 0.83 -1.08 0.41 -4.95 116.67 118.72 2fnb s ASP 53 Ca -0.03 -0.14 0.07 0.00 -0.52 0.00 0.00 52.55 51.93 2fnb s ASP 53 Cb -0.15 -1.55 -0.04 0.00 -1.46 0.00 0.00 42.92 39.72 2fnb s ASP 53 CO -0.03 -0.03 -0.16 -0.36 0.52 0.00 0.00 175.17 175.12 2fnb s PHE 54 N -2.04 1.50 0.11 -5.34 0.08 -1.26 -1.35 117.98 109.68 2fnb s PHE 54 Ca 0.33 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.87 2fnb s PHE 54 Cb -0.08 -0.79 0.01 0.00 -0.57 0.00 0.00 43.02 41.58 2fnb s PHE 54 CO 0.26 0.18 0.05 1.33 -0.10 0.00 0.00 175.22 176.94 2fnb n VAL 55 N 0.63 0.00 0.00 -0.44 0.24 -1.12 -5.02 118.33 112.62 2fnb n VAL 55 Ca -0.16 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2fnb n VAL 55 Cb 0.56 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2fnb n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2fnb n ASP 56 N -1.62 0.00 0.00 -1.34 2.03 -1.26 -4.70 116.55 109.66 2fnb n ASP 56 Ca -0.02 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2fnb n ASP 56 Cb 0.13 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2fnb n ASP 56 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2fnb n SER 57 N -0.89 0.00 -0.19 1.67 3.41 -1.26 -4.59 113.62 111.78 2fnb n SER 57 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2fnb n SER 57 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 2fnb n SER 57 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2fnb n SER 58 N 0.00 1.80 -4.68 4.04 3.41 -1.26 -4.52 113.62 112.40 2fnb n SER 58 Ca 0.00 -2.85 -0.42 0.00 -0.26 0.00 0.00 58.87 55.34 2fnb n SER 58 Cb 0.00 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.21 4.08 -2.39 -3.33 1.01 -1.26 -4.77 120.40 111.53 2fnb s VAL 59 Ca 0.25 1.41 0.21 0.00 0.00 0.00 0.00 61.98 63.85 2fnb s VAL 59 Cb 0.22 -3.91 0.31 0.00 0.00 0.00 0.00 36.38 33.00 2fnb s VAL 59 CO 0.02 -0.02 1.28 0.61 0.00 0.00 0.00 175.10 176.99 2fnb n GLY 60 N 3.50 1.33 3.63 4.51 0.00 -1.26 -4.39 105.19 112.50 2fnb n GLY 60 Ca 0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.53 -0.95 0.10 1.61 6.14 -1.26 -3.75 117.35 117.71 2fnb s TYR 61 Ca 0.32 1.83 -0.00 0.00 0.64 0.00 0.00 57.07 59.85 2fnb s TYR 61 Cb 0.20 0.57 -0.04 0.00 0.42 0.00 0.00 41.96 43.10 2fnb s TYR 61 CO 0.28 -0.47 0.00 -0.47 0.64 0.00 0.00 175.55 175.53 2fnb s TYR 62 N 1.80 0.76 0.02 4.97 5.04 -1.14 -5.02 117.35 123.79 2fnb s TYR 62 Ca -0.09 -1.12 0.01 0.00 -2.44 0.00 0.00 57.07 53.44 2fnb s TYR 62 Cb -0.06 -0.47 -0.02 0.00 0.35 0.00 0.00 41.96 41.77 2fnb s TYR 62 CO -0.18 -0.40 -0.05 0.99 -1.34 0.00 0.00 175.55 174.57 2fnb s THR 63 N -3.92 0.28 0.02 4.34 2.01 -1.26 -0.28 115.64 116.83 2fnb s THR 63 Ca 0.16 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2fnb s THR 63 Cb 0.07 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 2fnb s THR 63 CO -0.04 -0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.75 2fnb s VAL 64 N -1.19 0.76 0.19 3.82 1.01 0.46 -4.99 120.40 120.45 2fnb s VAL 64 Ca -0.11 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2fnb s VAL 64 Cb -0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2fnb s VAL 64 CO -0.00 0.01 0.18 0.41 0.00 0.00 0.00 175.10 175.70 2fnb n THR 65 N 2.29 0.00 -2.05 3.92 -1.04 -1.26 -0.84 114.28 115.30 2fnb n THR 65 Ca -0.17 -1.29 -0.19 0.00 -2.04 0.00 0.00 64.05 60.36 2fnb n THR 65 Cb 0.56 0.67 -0.04 0.00 -1.82 0.00 0.00 70.33 69.70 2fnb n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fnb n GLY 66 N -0.35 0.50 3.88 3.41 0.00 -1.26 -5.01 105.19 106.36 2fnb n GLY 66 Ca 0.04 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2fnb n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fnb s LEU 67 N -5.14 2.77 -0.04 0.99 1.43 -1.26 -5.11 118.68 112.32 2fnb s LEU 67 Ca 0.00 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 2fnb s LEU 67 Cb 0.00 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.46 2fnb s LEU 67 CO 0.00 -1.54 -0.11 -1.61 0.23 0.00 0.00 176.35 173.32 2fnb s GLU 68 N -5.39 1.34 0.82 1.70 0.41 -1.26 -4.98 118.70 111.33 2fnb s GLU 68 Ca 0.59 -0.37 -0.12 0.00 -0.41 0.00 0.00 54.97 54.66 2fnb s GLU 68 Cb -0.11 -1.18 0.08 0.00 -1.78 0.00 0.00 34.13 31.14 2fnb s GLU 68 CO 0.51 0.08 1.17 -1.25 -0.49 0.00 0.00 175.26 175.28 2fnb s PRO 69 N 0.41 1.90 0.00 0.39 0.04 -1.26 -4.57 135.00 131.91 2fnb s PRO 69 Ca -0.08 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2fnb s PRO 69 Cb -0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2fnb s PRO 69 CO 0.02 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2fnb n GLY 70 N -3.12 0.42 3.42 0.56 0.00 0.30 -5.05 105.19 101.72 2fnb n GLY 70 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 1.56 0.30 -0.61 -1.09 -1.26 -4.98 121.20 113.12 2fnb s ILE 71 Ca 0.00 -2.11 -0.15 0.00 -2.23 0.00 0.00 60.65 56.16 2fnb s ILE 71 Cb 0.00 -2.45 -0.09 0.00 -1.58 0.00 0.00 42.46 38.34 2fnb s ILE 71 CO 0.00 -0.29 0.71 -0.62 -1.23 0.00 0.00 174.94 173.51 2fnb s ASP 72 N -3.43 6.78 -0.03 3.58 2.15 -1.26 -3.57 116.67 120.89 2fnb s ASP 72 Ca 0.30 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.53 2fnb s ASP 72 Cb 0.04 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2fnb s ASP 72 CO 0.12 -0.16 0.00 -0.31 -0.17 0.00 0.00 175.17 174.65 2fnb s TYR 73 N -1.92 0.25 -0.46 -5.34 1.51 -0.73 -0.04 117.35 110.63 2fnb s TYR 73 Ca 0.52 0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 56.41 2fnb s TYR 73 Cb -0.11 -0.35 0.04 0.00 -0.11 0.00 0.00 41.96 41.42 2fnb s TYR 73 CO 0.18 -0.11 0.62 -0.51 -1.11 0.00 0.00 175.55 174.62 2fnb s ASP 74 N 0.95 6.27 -0.71 2.29 1.01 -0.52 -0.70 116.67 125.26 2fnb s ASP 74 Ca -0.09 -0.58 -0.16 0.00 0.71 0.00 0.00 52.55 52.43 2fnb s ASP 74 Cb -0.13 -2.30 0.17 0.00 1.01 0.00 0.00 42.92 41.67 2fnb s ASP 74 CO -0.02 -0.81 0.70 -0.63 0.21 0.00 0.00 175.17 174.62 2fnb s ILE 75 N 2.70 5.31 0.20 0.77 1.09 -1.03 -1.82 121.20 128.41 2fnb s ILE 75 Ca 0.19 -1.89 -0.02 0.00 -1.10 0.00 0.00 60.65 57.83 2fnb s ILE 75 Cb -0.16 -4.45 -0.05 0.00 -1.06 0.00 0.00 42.46 36.74 2fnb s ILE 75 CO 0.16 -1.03 0.41 -0.94 -0.10 0.00 0.00 174.94 173.44 2fnb s SER 76 N 2.95 6.42 -0.30 3.58 1.04 -0.65 -2.98 113.70 123.75 2fnb s SER 76 Ca 0.13 0.49 -0.02 0.00 0.48 0.00 0.00 55.95 57.03 2fnb s SER 76 Cb -0.18 -2.05 0.12 0.00 0.10 0.00 0.00 66.02 64.01 2fnb s SER 76 CO -0.03 -0.03 0.19 -0.69 0.98 0.00 0.00 173.24 173.66 2fnb s VAL 77 N -1.84 -0.13 -0.13 5.02 1.01 0.38 -0.63 120.40 124.08 2fnb s VAL 77 Ca 0.40 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2fnb s VAL 77 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2fnb s VAL 77 CO 0.28 -0.70 0.47 -0.63 0.00 0.00 0.00 175.10 174.52 2fnb s ILE 78 N 1.98 5.19 -0.21 2.22 1.01 -0.35 -3.28 121.20 127.76 2fnb s ILE 78 Ca 0.11 0.92 -0.06 0.00 0.00 0.00 0.00 60.65 61.62 2fnb s ILE 78 Cb -0.16 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2fnb s ILE 78 CO -0.29 0.31 0.04 -0.89 0.00 0.00 0.00 174.94 174.11 2fnb s THR 79 N 0.74 4.30 0.09 2.92 2.01 -1.26 -0.73 115.64 123.71 2fnb s THR 79 Ca 0.25 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 62.14 2fnb s THR 79 Cb -0.15 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 2fnb s THR 79 CO 0.10 0.41 -0.23 -1.48 -0.69 0.00 0.00 174.62 172.73 2fnb s LEU 80 N 0.97 2.27 0.00 4.42 2.34 -0.83 -0.98 118.68 126.87 2fnb s LEU 80 Ca 0.03 -0.67 0.04 0.00 0.06 0.00 0.00 54.13 53.59 2fnb s LEU 80 Cb -0.14 -1.00 -0.01 0.00 -0.56 0.00 0.00 46.19 44.48 2fnb s LEU 80 CO 0.02 0.12 0.13 2.30 -1.06 0.00 0.00 176.35 177.86 2fnb n ILE 81 N 1.22 0.00 -0.93 1.48 -5.35 -0.31 -2.70 119.36 112.77 2fnb n ILE 81 Ca -0.19 -1.66 -0.41 0.00 -0.27 0.00 0.00 62.75 60.22 2fnb n ILE 81 Cb 0.53 0.67 -0.09 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.81 0.49 -4.32 7.28 5.15 -1.12 -1.94 115.26 118.99 2fnb n ASN 82 Ca -0.01 0.43 -0.37 0.00 -0.60 0.00 0.00 54.58 54.03 2fnb n ASN 82 Cb 0.42 -0.65 -0.08 0.00 -0.53 0.00 0.00 39.78 38.94 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 5.31 -0.29 3.42 8.20 0.00 -1.26 -4.85 105.19 115.71 2fnb n GLY 83 Ca 0.41 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.49 -0.58 0.11 -0.02 0.00 -0.82 -5.18 107.32 97.34 2fnb s GLY 84 Ca 0.54 0.52 -0.08 0.00 0.00 0.00 0.00 44.72 45.70 2fnb s GLY 84 CO 0.96 0.20 0.20 -0.54 0.00 0.00 0.00 173.10 173.92 2fnb s GLU 85 N -3.50 0.93 0.00 2.90 2.02 -1.26 -1.16 118.70 118.64 2fnb s GLU 85 Ca -0.00 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2fnb s GLU 85 Cb -0.01 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.57 2fnb s GLU 85 CO -0.11 -0.31 0.00 0.43 0.02 0.00 0.00 175.26 175.30 2fnb n SER 86 N -0.10 0.00 -4.75 -0.19 7.64 -0.15 -4.66 113.62 111.40 2fnb n SER 86 Ca -0.12 -0.99 -0.35 0.00 1.01 0.00 0.00 58.87 58.42 2fnb n SER 86 Cb 0.63 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.87 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 -3.10 2.43 -0.54 -0.43 0.00 -1.26 -4.85 121.76 114.01 2fnb s ALA 87 Ca 0.00 0.82 -0.27 0.00 0.00 0.00 0.00 51.96 52.51 2fnb s ALA 87 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2fnb s ALA 87 CO 0.00 -1.32 1.71 -1.25 0.00 0.00 0.00 175.76 174.89 2fnb s PRO 88 N -3.68 2.99 0.11 0.00 0.04 -1.26 -4.71 135.00 128.48 2fnb s PRO 88 Ca 0.73 0.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.28 2fnb s PRO 88 Cb -0.26 -4.27 -0.07 0.00 0.04 0.00 0.00 34.50 29.94 2fnb s PRO 88 CO 0.38 -2.30 0.66 0.95 0.04 0.00 0.00 177.00 176.73 2fnb s THR 89 N 7.66 4.60 0.26 1.26 -4.23 -1.21 -4.98 115.64 118.99 2fnb s THR 89 Ca 0.65 1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 62.55 2fnb s THR 89 Cb -0.14 -4.00 -0.02 0.00 1.34 0.00 0.00 72.50 69.68 2fnb s THR 89 CO 0.25 0.53 0.32 -0.89 -0.54 0.00 0.00 174.62 174.29 2fnb s THR 90 N -1.04 0.00 -0.11 3.99 2.01 -1.26 -0.47 115.64 118.76 2fnb s THR 90 Ca 0.32 -1.74 -0.07 0.00 0.31 0.00 0.00 61.69 60.51 2fnb s THR 90 Cb -0.21 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 69.90 2fnb s THR 90 CO 0.22 0.00 0.26 -0.22 -0.69 0.00 0.00 174.62 174.19 2fnb s LEU 91 N -3.16 0.63 -0.63 4.42 0.20 -1.16 -4.99 118.68 113.99 2fnb s LEU 91 Ca 0.33 0.55 -0.28 0.00 0.69 0.00 0.00 54.13 55.42 2fnb s LEU 91 Cb 0.03 0.85 0.03 0.00 -0.43 0.00 0.00 46.19 46.66 2fnb s LEU 91 CO 0.15 -0.14 1.24 -0.89 -0.29 0.00 0.00 176.35 176.42 2fnb s THR 92 N 0.79 3.90 -0.37 3.68 2.01 -1.26 -2.46 115.64 121.93 2fnb s THR 92 Ca -0.05 0.72 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 2fnb s THR 92 Cb -0.07 -4.76 0.04 0.00 0.01 0.00 0.00 72.50 67.73 2fnb s THR 92 CO -0.05 -1.49 0.17 -1.58 -0.69 0.00 0.00 174.62 170.97 2fnb s GLN 93 N 5.27 2.66 0.40 4.92 2.00 0.12 -4.94 119.66 130.10 2fnb s GLN 93 Ca 0.41 -1.22 -0.22 0.00 -2.00 0.00 0.00 55.36 52.33 2fnb s GLN 93 Cb -0.08 -3.60 -0.11 0.00 0.80 0.00 0.00 33.01 30.02 2fnb s GLN 93 CO 0.22 -0.74 0.95 -1.14 -0.50 0.00 0.00 175.29 174.08 2fnb s GLN 94 N 1.45 4.33 0.00 1.67 -0.44 -1.26 -1.77 119.66 123.64 2fnb s GLN 94 Ca 0.00 1.18 0.00 0.00 -2.50 0.00 0.00 55.36 54.04 2fnb s GLN 94 Cb -0.20 -2.36 0.00 0.00 -1.64 0.00 0.00 33.01 28.81 2fnb s GLN 94 CO 0.04 0.06 0.00 2.41 0.50 0.00 0.00 175.29 178.29