#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnb s ARG 2 N 0.00 1.71 -0.30 0.03 1.70 -1.26 -5.19 118.95 115.65 2fnb s ARG 2 Ca 0.00 -1.40 -0.20 0.00 -0.47 0.00 0.00 55.73 53.66 2fnb s ARG 2 Cb 0.00 0.48 0.19 0.00 -0.57 0.00 0.00 34.95 35.05 2fnb s ARG 2 CO 0.00 -0.72 1.28 0.20 -1.08 0.00 0.00 175.30 174.97 2fnb s GLY 3 N -3.08 0.39 0.00 3.88 0.00 -1.26 -5.03 107.32 102.22 2fnb s GLY 3 Ca 0.24 3.54 0.00 0.00 0.00 0.00 0.00 44.72 48.50 2fnb s GLY 3 CO 0.12 2.35 0.00 -1.14 0.00 0.00 0.00 173.10 174.43 2fnb n SER 4 N 2.50 -5.20 0.00 1.64 3.41 -1.26 -4.87 113.62 109.84 2fnb n SER 4 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2fnb n SER 4 Cb 0.57 -3.13 0.00 0.00 -0.26 0.00 0.00 64.21 61.39 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 0.84 0.00 -2.60 4.33 0.00 -1.26 -4.47 120.64 117.49 2fnb n GLU 5 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 57.16 56.80 2fnb n GLU 5 Cb 0.43 -1.01 -0.04 0.00 0.00 0.00 0.00 31.44 30.82 2fnb n GLU 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2fnb s VAL 6 N -1.11 4.21 0.20 6.31 1.01 -1.26 -4.98 120.40 124.77 2fnb s VAL 6 Ca 0.00 1.81 -0.31 0.00 0.00 0.00 0.00 61.98 63.48 2fnb s VAL 6 Cb 0.00 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 2fnb s VAL 6 CO 0.00 0.26 1.45 -2.16 0.00 0.00 0.00 175.10 174.65 2fnb s PRO 7 N 0.05 4.28 0.19 2.72 0.04 -1.26 -4.16 135.00 136.85 2fnb s PRO 7 Ca 0.50 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.84 2fnb s PRO 7 Cb -0.26 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 2fnb s PRO 7 CO 0.32 -0.45 0.23 1.14 0.04 0.00 0.00 177.00 178.27 2fnb s GLN 8 N 0.29 3.16 -1.02 4.56 1.03 -1.26 -4.70 119.66 121.72 2fnb s GLN 8 Ca 0.63 -0.80 -0.23 0.00 0.04 0.00 0.00 55.36 54.99 2fnb s GLN 8 Cb -0.41 -2.77 -0.02 0.00 0.03 0.00 0.00 33.01 29.85 2fnb s GLN 8 CO 0.37 0.47 1.79 -0.51 -2.54 0.00 0.00 175.29 174.88 2fnb s LEU 9 N -3.43 3.30 0.00 2.60 1.43 -1.26 -4.81 118.68 116.51 2fnb s LEU 9 Ca 0.33 -1.21 0.10 0.00 -1.03 0.00 0.00 54.13 52.32 2fnb s LEU 9 Cb -0.10 -2.57 0.41 0.00 0.03 0.00 0.00 46.19 43.96 2fnb s LEU 9 CO 0.26 -2.33 1.31 0.41 0.23 0.00 0.00 176.35 176.23 2fnb n THR 10 N 7.47 1.34 1.27 5.49 -1.04 -1.26 -1.14 114.28 126.41 2fnb n THR 10 Ca 0.40 0.34 0.13 0.00 -2.04 0.00 0.00 64.05 62.88 2fnb n THR 10 Cb 0.48 -1.17 0.33 0.00 -1.82 0.00 0.00 70.33 68.15 2fnb n THR 10 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2fnb n ASP 11 N -1.51 2.18 -4.51 8.00 8.00 -1.26 -4.98 116.55 122.47 2fnb n ASP 11 Ca 0.02 -1.73 -0.44 0.00 0.71 0.00 0.00 54.79 53.35 2fnb n ASP 11 Cb 0.11 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 2fnb n ASP 11 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2fnb n LEU 12 N 0.70 2.28 -3.85 0.64 -0.00 -0.29 -4.30 117.00 112.18 2fnb n LEU 12 Ca 0.17 0.11 -0.12 0.00 -0.00 0.00 0.00 56.01 56.16 2fnb n LEU 12 Cb 0.46 -1.38 -0.14 0.00 -0.00 0.00 0.00 43.42 42.36 2fnb n LEU 12 CO 0.16 -0.93 -0.34 -0.44 -0.00 0.00 0.00 177.39 175.84 2fnb s SER 13 N 8.93 -0.01 0.30 1.96 0.01 -0.36 -5.02 113.70 119.51 2fnb s SER 13 Ca 1.07 0.05 -0.02 0.00 1.31 0.00 0.00 55.95 58.35 2fnb s SER 13 Cb -0.60 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 2fnb s SER 13 CO 0.40 -0.03 0.53 -0.36 0.41 0.00 0.00 173.24 174.19 2fnb s PHE 14 N 0.18 3.49 0.19 2.43 0.40 -1.26 0.03 117.98 123.43 2fnb s PHE 14 Ca -0.01 0.50 -0.07 0.00 -0.60 0.00 0.00 56.93 56.75 2fnb s PHE 14 Cb -0.02 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 2fnb s PHE 14 CO -0.01 0.18 0.26 0.14 0.70 0.00 0.00 175.22 176.49 2fnb s VAL 15 N -2.14 0.04 -1.09 -0.44 -7.23 -0.25 -4.86 120.40 104.43 2fnb s VAL 15 Ca 0.42 -1.63 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 2fnb s VAL 15 Cb -0.10 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2fnb s VAL 15 CO 0.32 -0.17 0.79 0.47 -0.31 0.00 0.00 175.10 176.20 2fnb n ASP 16 N -0.25 -5.54 -3.50 4.85 9.92 -1.26 -0.43 116.55 120.34 2fnb n ASP 16 Ca -0.03 -0.95 -0.40 0.00 -0.53 0.00 0.00 54.79 52.88 2fnb n ASP 16 Cb 0.64 -3.50 -0.02 0.00 -0.64 0.00 0.00 41.12 37.60 2fnb n ASP 16 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2fnb n ILE 17 N -3.93 4.05 -2.74 0.53 2.08 -1.26 -3.70 119.36 114.39 2fnb n ILE 17 Ca -0.10 -2.93 -0.20 0.00 0.56 0.00 0.00 62.75 60.08 2fnb n ILE 17 Cb 0.59 -2.57 0.04 0.00 -0.75 0.00 0.00 39.64 36.95 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 2.28 2.62 -1.57 1.39 -1.32 -1.05 -5.00 115.64 113.00 2fnb s THR 18 Ca 0.59 -0.75 0.22 0.00 -1.21 0.00 0.00 61.69 60.54 2fnb s THR 18 Cb 0.16 -2.86 0.45 0.00 -1.51 0.00 0.00 72.50 68.74 2fnb s THR 18 CO -0.07 0.00 1.72 0.47 -2.21 0.00 0.00 174.62 174.53 2fnb n ASP 19 N -2.30 0.00 0.00 8.08 8.00 -1.26 -3.15 116.55 125.92 2fnb n ASP 19 Ca 0.10 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2fnb n ASP 19 Cb 0.60 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.22 1.70 -3.62 -2.24 3.41 -1.26 -4.32 113.62 106.07 2fnb n SER 20 Ca 0.12 -0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 58.47 2fnb n SER 20 Cb 0.15 0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.09 -0.19 -0.06 4.04 1.04 -1.19 -2.51 113.70 113.75 2fnb s SER 21 Ca 0.00 0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.69 2fnb s SER 21 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2fnb s SER 21 CO 0.00 -0.15 -0.16 -0.51 0.98 0.00 0.00 173.24 173.40 2fnb s ILE 22 N -0.87 1.40 0.37 -1.02 2.07 -0.83 -2.52 121.20 119.79 2fnb s ILE 22 Ca 0.04 -0.66 -0.06 0.00 -1.41 0.00 0.00 60.65 58.56 2fnb s ILE 22 Cb -0.01 -1.23 -0.05 0.00 0.13 0.00 0.00 42.46 41.29 2fnb s ILE 22 CO -0.05 0.41 0.66 -0.83 -1.91 0.00 0.00 174.94 173.22 2fnb s GLY 23 N 0.36 1.75 -0.04 1.50 0.00 0.43 -0.82 107.32 110.49 2fnb s GLY 23 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2fnb s GLY 23 CO 0.04 -0.35 0.00 1.08 0.00 0.00 0.00 173.10 173.87 2fnb s LEU 24 N -3.96 1.06 0.11 0.66 1.43 0.07 -1.09 118.68 116.95 2fnb s LEU 24 Ca 0.46 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2fnb s LEU 24 Cb -0.10 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 2fnb s LEU 24 CO 0.34 -0.11 0.28 -0.13 0.23 0.00 0.00 176.35 176.96 2fnb s ARG 25 N 1.17 3.49 0.31 1.70 0.52 0.10 -1.39 118.95 124.86 2fnb s ARG 25 Ca -0.08 -0.36 -0.09 0.00 -0.52 0.00 0.00 55.73 54.68 2fnb s ARG 25 Cb -0.13 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.39 2fnb s ARG 25 CO -0.02 0.54 0.52 1.67 0.02 0.00 0.00 175.30 178.03 2fnb s TRP 26 N -1.62 0.64 0.13 -0.53 -2.14 -0.82 -1.22 118.94 113.37 2fnb s TRP 26 Ca 0.37 -0.99 -0.19 0.00 2.66 0.00 0.00 56.10 57.95 2fnb s TRP 26 Cb -0.12 0.16 -0.07 0.00 -3.10 0.00 0.00 33.47 30.34 2fnb s TRP 26 CO 0.27 -1.14 0.63 0.99 -2.66 0.00 0.00 176.95 175.04 2fnb s THR 27 N -3.34 4.67 -0.14 0.66 2.01 -1.26 -4.52 115.64 113.71 2fnb s THR 27 Ca 0.25 1.23 -0.29 0.00 0.31 0.00 0.00 61.69 63.19 2fnb s THR 27 Cb -0.01 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2fnb s THR 27 CO 0.14 0.42 1.06 -2.16 -0.69 0.00 0.00 174.62 173.39 2fnb s PRO 28 N -1.46 4.35 0.45 4.92 0.04 -1.26 -4.91 135.00 137.14 2fnb s PRO 28 Ca 0.35 1.43 0.26 0.00 0.04 0.00 0.00 61.00 63.08 2fnb s PRO 28 Cb -0.19 -3.59 0.66 0.00 0.04 0.00 0.00 34.50 31.42 2fnb s PRO 28 CO 0.21 -0.45 1.72 -0.07 0.04 0.00 0.00 177.00 178.45 2fnb h LEU 29 N 8.58 0.00 2.09 -3.56 4.07 -1.93 -3.47 115.31 121.09 2fnb h LEU 29 Ca -0.27 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.43 2fnb h LEU 29 Cb 1.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 2fnb h LEU 29 CO 0.90 0.00 -0.34 0.59 -1.08 0.00 0.00 178.44 178.51 2fnb n ASN 30 N -3.03 -3.65 0.00 -0.43 3.02 -1.26 -4.81 115.26 105.10 2fnb n ASN 30 Ca 0.03 0.10 0.03 0.00 -0.03 0.00 0.00 54.58 54.71 2fnb n ASN 30 Cb 0.46 -3.10 0.20 0.00 -0.61 0.00 0.00 39.78 36.73 2fnb n ASN 30 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2fnb n SER 31 N -1.89 0.00 0.00 6.41 7.64 -1.26 -4.87 113.62 119.65 2fnb n SER 31 Ca -0.11 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.03 2fnb n SER 31 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2fnb n SER 31 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2fnb n SER 32 N -0.72 0.00 0.29 6.43 3.41 -1.26 -4.08 113.62 117.70 2fnb n SER 32 Ca 0.05 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.84 2fnb n SER 32 Cb 0.02 0.00 0.87 0.00 -0.26 0.00 0.00 64.21 64.84 2fnb n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fnb h THR 33 N 0.00 0.14 -3.45 6.66 1.03 -1.99 -3.43 112.91 111.87 2fnb h THR 33 Ca 0.00 -0.37 -0.57 0.00 -0.01 0.00 0.00 66.41 65.47 2fnb h THR 33 Cb 0.00 1.31 0.17 0.00 -1.07 0.00 0.00 68.15 68.56 2fnb h THR 33 CO 0.00 0.03 -0.06 0.00 -0.01 0.00 0.00 175.52 175.48 2fnb n ILE 34 N -3.22 3.03 -0.10 0.00 3.06 -1.26 -1.98 119.36 118.90 2fnb n ILE 34 Ca -0.01 -0.46 -0.15 0.00 -2.50 0.00 0.00 62.75 59.63 2fnb n ILE 34 Cb 0.22 -0.98 -0.05 0.00 0.54 0.00 0.00 39.64 39.36 2fnb n ILE 34 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2fnb n ILE 35 N -2.00 1.51 -2.52 9.51 -0.00 -0.50 -4.88 119.36 120.48 2fnb n ILE 35 Ca 0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 2fnb n ILE 35 Cb 0.48 -2.22 0.00 0.00 -0.00 0.00 0.00 39.64 37.90 2fnb n ILE 35 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2fnb n GLY 36 N 1.41 1.03 3.18 7.39 0.00 -1.22 -4.48 105.19 112.50 2fnb n GLY 36 Ca -0.25 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.68 1.47 -0.18 1.61 2.02 -1.26 -2.69 117.35 116.63 2fnb s TYR 37 Ca 0.00 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.33 2fnb s TYR 37 Cb 0.00 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 2fnb s TYR 37 CO 0.00 0.05 -0.10 0.50 -1.57 0.00 0.00 175.55 174.43 2fnb s ARG 38 N -1.08 3.33 0.29 -0.62 3.00 -0.54 -2.49 118.95 120.84 2fnb s ARG 38 Ca 0.04 -0.67 -0.02 0.00 -1.00 0.00 0.00 55.73 54.07 2fnb s ARG 38 Cb -0.08 -2.80 -0.04 0.00 0.00 0.00 0.00 34.95 32.02 2fnb s ARG 38 CO 0.01 -0.03 0.52 0.42 0.00 0.00 0.00 175.30 176.22 2fnb s ILE 39 N 1.00 5.08 -0.05 4.11 1.09 -0.12 -0.86 121.20 131.45 2fnb s ILE 39 Ca -0.01 -0.18 -0.07 0.00 -1.10 0.00 0.00 60.65 59.29 2fnb s ILE 39 Cb -0.15 -3.77 0.01 0.00 -1.06 0.00 0.00 42.46 37.49 2fnb s ILE 39 CO -0.01 -0.37 0.18 -0.89 -0.10 0.00 0.00 174.94 173.75 2fnb s THR 40 N -2.12 0.02 -0.03 2.92 2.01 0.39 -1.77 115.64 117.07 2fnb s THR 40 Ca 0.42 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.27 2fnb s THR 40 Cb -0.10 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2fnb s THR 40 CO 0.32 -0.11 -0.19 0.68 -0.69 0.00 0.00 174.62 174.63 2fnb s VAL 41 N -0.34 1.55 0.20 3.82 -7.23 -1.02 -0.69 120.40 116.69 2fnb s VAL 41 Ca -0.04 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 2fnb s VAL 41 Cb -0.03 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 2fnb s VAL 41 CO 0.01 0.44 -0.04 0.68 -0.31 0.00 0.00 175.10 175.88 2fnb s VAL 42 N -0.27 1.12 -0.37 1.32 -7.23 -1.08 -1.08 120.40 112.81 2fnb s VAL 42 Ca 0.03 -2.05 -0.26 0.00 -1.81 0.00 0.00 61.98 57.89 2fnb s VAL 42 Cb -0.09 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.69 2fnb s VAL 42 CO 0.01 -0.47 0.92 0.00 -0.31 0.00 0.00 175.10 175.25 2fnb s ALA 43 N -3.36 3.40 0.31 1.32 0.00 -0.47 -1.84 121.76 121.12 2fnb s ALA 43 Ca 0.24 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 2fnb s ALA 43 Cb 0.04 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 2fnb s ALA 43 CO 0.06 -1.62 1.33 0.00 0.00 0.00 0.00 175.76 175.53 2fnb n ALA 44 N 6.78 1.32 0.00 0.00 0.00 0.44 -0.98 120.51 128.06 2fnb n ALA 44 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2fnb n ALA 44 Cb 0.48 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 1.17 3.33 0.03 0.00 0.00 -1.26 -4.67 105.19 103.79 2fnb n GLY 45 Ca 0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 1.71 -1.06 1.61 4.07 -1.21 -5.00 120.64 120.76 2fnb n GLU 46 Ca 0.00 -0.04 -0.02 0.00 -0.06 0.00 0.00 57.16 57.04 2fnb n GLU 46 Cb 0.00 -1.24 -0.01 0.00 -0.06 0.00 0.00 31.44 30.13 2fnb n GLU 46 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2fnb n GLY 47 N 2.24 0.53 3.38 8.31 0.00 -0.16 -4.98 105.19 114.51 2fnb n GLY 47 Ca -0.11 -0.28 -0.50 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.77 0.01 -2.93 -0.61 5.41 -1.24 -4.73 119.36 112.51 2fnb n ILE 48 Ca -0.02 -0.06 -0.41 0.00 1.00 0.00 0.00 62.75 63.26 2fnb n ILE 48 Cb 0.15 -0.70 -0.04 0.00 -0.71 0.00 0.00 39.64 38.34 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 7.33 4.39 0.00 0.38 0.04 -1.26 -1.37 135.00 144.50 2fnb s PRO 49 Ca 1.25 1.02 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2fnb s PRO 49 Cb -1.29 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 29.75 2fnb s PRO 49 CO 0.56 -0.12 0.00 -0.89 0.04 0.00 0.00 177.00 176.59 2fnb n ILE 50 N 4.21 0.00 -3.99 0.56 -0.00 -0.24 -4.98 119.36 114.93 2fnb n ILE 50 Ca 0.02 0.46 -0.09 0.00 -0.00 0.00 0.00 62.75 63.14 2fnb n ILE 50 Cb 0.50 -1.39 -0.08 0.00 -0.00 0.00 0.00 39.64 38.67 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 -0.91 0.46 -0.16 1.39 -0.71 -1.24 -5.04 117.98 111.76 2fnb s PHE 51 Ca 0.00 -0.84 -0.02 0.00 -1.04 0.00 0.00 56.93 55.04 2fnb s PHE 51 Cb 0.00 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.65 2fnb s PHE 51 CO 0.00 -0.66 -0.10 -1.83 -1.34 0.00 0.00 175.22 171.30 2fnb s GLU 52 N -3.97 3.39 0.30 1.99 4.04 -1.26 -2.44 118.70 120.75 2fnb s GLU 52 Ca 0.17 -0.66 0.07 0.00 0.04 0.00 0.00 54.97 54.59 2fnb s GLU 52 Cb 0.04 -2.77 -0.03 0.00 0.02 0.00 0.00 34.13 31.39 2fnb s GLU 52 CO -0.01 0.07 0.29 0.34 -1.84 0.00 0.00 175.26 174.11 2fnb s ASP 53 N 0.74 5.59 0.24 0.83 -1.08 -0.73 -4.97 116.67 117.30 2fnb s ASP 53 Ca -0.04 -0.30 0.08 0.00 -0.52 0.00 0.00 52.55 51.77 2fnb s ASP 53 Cb -0.15 -1.26 -0.05 0.00 -1.46 0.00 0.00 42.92 40.00 2fnb s ASP 53 CO 0.02 -0.23 -0.13 -0.36 0.52 0.00 0.00 175.17 174.99 2fnb s PHE 54 N -2.19 1.88 0.30 -5.34 0.40 -1.26 -0.94 117.98 110.83 2fnb s PHE 54 Ca 0.38 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 2fnb s PHE 54 Cb -0.07 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 2fnb s PHE 54 CO 0.27 0.40 0.05 1.33 0.70 0.00 0.00 175.22 177.98 2fnb n VAL 55 N -0.48 0.00 0.00 -0.44 0.24 -1.04 -4.94 118.33 111.67 2fnb n VAL 55 Ca -0.07 -1.60 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 2fnb n VAL 55 Cb 0.61 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.47 0.00 0.00 -1.34 -0.08 -1.26 -4.52 116.55 107.87 2fnb n ASP 56 Ca -0.09 0.70 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 2fnb n ASP 56 Cb 0.42 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.45 2fnb n ASP 56 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2fnb n SER 57 N -1.79 0.00 -0.41 1.67 2.88 -1.26 -4.70 113.62 110.01 2fnb n SER 57 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2fnb n SER 57 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.59 -4.71 -3.46 3.41 -1.26 -4.58 113.62 103.62 2fnb n SER 58 Ca 0.00 -2.27 -0.42 0.00 -0.26 0.00 0.00 58.87 55.92 2fnb n SER 58 Cb 0.00 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 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 -0.72 4.12 0.00 -3.33 1.01 -1.26 -4.82 120.40 115.41 2fnb s VAL 59 Ca 0.08 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2fnb s VAL 59 Cb 0.07 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2fnb s VAL 59 CO 0.01 0.09 0.61 0.61 0.00 0.00 0.00 175.10 176.42 2fnb n GLY 60 N 3.24 -0.27 2.77 4.51 0.00 -1.26 -4.57 105.19 109.61 2fnb n GLY 60 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.26 0.19 0.13 1.61 6.14 -1.26 -1.95 117.35 121.94 2fnb s TYR 61 Ca 0.00 0.08 -0.03 0.00 0.64 0.00 0.00 57.07 57.76 2fnb s TYR 61 Cb 0.00 -0.38 -0.03 0.00 0.42 0.00 0.00 41.96 41.97 2fnb s TYR 61 CO 0.00 -0.14 0.10 -0.47 0.64 0.00 0.00 175.55 175.69 2fnb s TYR 62 N 1.29 0.68 -0.02 4.97 5.04 -0.48 -5.01 117.35 123.80 2fnb s TYR 62 Ca -0.06 -1.07 0.02 0.00 -2.44 0.00 0.00 57.07 53.51 2fnb s TYR 62 Cb -0.13 -0.35 0.01 0.00 0.35 0.00 0.00 41.96 41.83 2fnb s TYR 62 CO -0.03 -0.55 -0.07 0.99 -1.34 0.00 0.00 175.55 174.56 2fnb s THR 63 N -4.00 0.62 0.16 4.34 2.01 -1.26 -0.75 115.64 116.76 2fnb s THR 63 Ca 0.19 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2fnb s THR 63 Cb 0.06 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2fnb s THR 63 CO -0.01 0.20 0.30 -0.69 -0.69 0.00 0.00 174.62 173.73 2fnb s VAL 64 N 0.25 5.31 0.23 3.82 1.01 -0.00 -4.99 120.40 126.03 2fnb s VAL 64 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2fnb s VAL 64 Cb -0.08 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2fnb s VAL 64 CO 0.00 -0.13 0.11 0.42 0.00 0.00 0.00 175.10 175.51 2fnb s THR 65 N -1.78 0.27 -0.00 3.92 -4.23 -1.26 -1.96 115.64 110.59 2fnb s THR 65 Ca 0.35 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2fnb s THR 65 Cb -0.11 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2fnb s THR 65 CO 0.29 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2fnb n GLY 66 N -0.37 0.37 3.70 3.99 0.00 -1.04 -4.96 105.19 106.88 2fnb n GLY 66 Ca 0.01 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.01 3.01 -0.67 0.99 2.01 -1.23 -5.01 118.68 117.77 2fnb s LEU 67 Ca 0.00 2.23 0.05 0.00 0.01 0.00 0.00 54.13 56.42 2fnb s LEU 67 Cb 0.00 -4.57 0.17 0.00 0.01 0.00 0.00 46.19 41.79 2fnb s LEU 67 CO 0.00 -2.77 0.47 -0.70 1.01 0.00 0.00 176.35 174.36 2fnb s GLU 68 N -4.42 2.32 0.00 1.70 -6.30 -1.26 -4.82 118.70 105.92 2fnb s GLU 68 Ca 0.69 -3.21 -0.30 0.00 -2.50 0.00 0.00 54.97 49.65 2fnb s GLU 68 Cb -0.25 -3.27 -0.06 0.00 0.00 0.00 0.00 34.13 30.56 2fnb s GLU 68 CO 0.54 -1.28 1.46 -1.25 0.02 0.00 0.00 175.26 174.74 2fnb s PRO 69 N -1.27 4.26 0.00 4.30 0.04 -1.26 -2.83 135.00 138.23 2fnb s PRO 69 Ca 0.25 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2fnb s PRO 69 Cb -0.05 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2fnb s PRO 69 CO -0.16 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2fnb n GLY 70 N 3.73 1.16 3.78 0.56 0.00 -1.14 -5.09 105.19 108.19 2fnb n GLY 70 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.78 2.93 -0.20 -0.61 1.09 -1.13 -4.97 121.20 117.53 2fnb s ILE 71 Ca 0.00 -1.58 -0.14 0.00 -1.10 0.00 0.00 60.65 57.83 2fnb s ILE 71 Cb 0.00 -3.02 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 2fnb s ILE 71 CO 0.00 -0.12 0.32 -0.62 -0.10 0.00 0.00 174.94 174.42 2fnb s ASP 72 N -3.93 6.35 -0.15 3.58 2.15 -1.26 -3.62 116.67 119.80 2fnb s ASP 72 Ca 0.41 0.41 -0.00 0.00 0.43 0.00 0.00 52.55 53.79 2fnb s ASP 72 Cb -0.02 -2.19 -0.01 0.00 -0.30 0.00 0.00 42.92 40.40 2fnb s ASP 72 CO 0.24 -0.01 -0.14 -0.31 -0.17 0.00 0.00 175.17 174.78 2fnb s TYR 73 N 1.10 2.80 -0.60 -5.34 1.51 -0.91 -0.42 117.35 115.48 2fnb s TYR 73 Ca 0.16 -0.90 -0.23 0.00 -1.01 0.00 0.00 57.07 55.08 2fnb s TYR 73 Cb -0.14 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2fnb s TYR 73 CO 0.06 -0.39 0.95 -0.51 -1.11 0.00 0.00 175.55 174.56 2fnb s ASP 74 N 0.68 6.26 -0.63 2.29 1.11 -0.77 -1.45 116.67 124.17 2fnb s ASP 74 Ca -0.07 -0.62 -0.22 0.00 0.18 0.00 0.00 52.55 51.82 2fnb s ASP 74 Cb -0.16 -2.43 0.07 0.00 1.07 0.00 0.00 42.92 41.48 2fnb s ASP 74 CO 0.02 -1.32 0.90 -0.63 1.18 0.00 0.00 175.17 175.32 2fnb s ILE 75 N 4.01 4.45 0.14 0.77 1.09 -0.42 -2.63 121.20 128.61 2fnb s ILE 75 Ca 0.27 -0.39 -0.17 0.00 -1.10 0.00 0.00 60.65 59.25 2fnb s ILE 75 Cb -0.14 -4.61 -0.07 0.00 -1.06 0.00 0.00 42.46 36.57 2fnb s ILE 75 CO 0.15 -1.32 0.60 -0.94 -0.10 0.00 0.00 174.94 173.33 2fnb s SER 76 N 3.51 6.96 -0.06 3.58 1.04 0.13 -2.68 113.70 126.18 2fnb s SER 76 Ca 0.21 1.22 -0.02 0.00 0.48 0.00 0.00 55.95 57.84 2fnb s SER 76 Cb -0.18 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.63 2fnb s SER 76 CO 0.11 0.14 0.05 -0.69 0.98 0.00 0.00 173.24 173.83 2fnb s VAL 77 N -1.37 -0.01 -0.00 5.02 1.01 -0.47 -0.46 120.40 124.12 2fnb s VAL 77 Ca 0.36 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.73 2fnb s VAL 77 Cb -0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2fnb s VAL 77 CO 0.20 0.16 -0.20 -0.63 0.00 0.00 0.00 175.10 174.63 2fnb s ILE 78 N 2.13 1.59 -0.13 2.22 1.01 -0.04 -2.65 121.20 125.33 2fnb s ILE 78 Ca 0.05 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2fnb s ILE 78 Cb -0.12 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 2fnb s ILE 78 CO -0.04 0.39 0.19 -0.89 0.00 0.00 0.00 174.94 174.59 2fnb s THR 79 N -0.55 5.40 -0.07 2.92 2.01 -1.26 -1.47 115.64 122.61 2fnb s THR 79 Ca 0.08 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.46 2fnb s THR 79 Cb -0.08 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 2fnb s THR 79 CO -0.00 0.54 -0.24 -1.48 -0.69 0.00 0.00 174.62 172.76 2fnb s LEU 80 N -0.52 2.05 0.00 4.42 2.34 -1.10 -2.60 118.68 123.27 2fnb s LEU 80 Ca 0.15 -0.51 0.01 0.00 0.06 0.00 0.00 54.13 53.84 2fnb s LEU 80 Cb -0.13 -1.34 -0.00 0.00 -0.56 0.00 0.00 46.19 44.16 2fnb s LEU 80 CO 0.04 0.20 0.04 2.30 -1.06 0.00 0.00 176.35 177.86 2fnb n ILE 81 N 3.23 0.00 -1.06 1.48 -5.35 0.26 -1.41 119.36 116.51 2fnb n ILE 81 Ca -0.18 -0.60 -0.28 0.00 -0.27 0.00 0.00 62.75 61.42 2fnb n ILE 81 Cb 0.52 0.21 -0.11 0.00 -1.74 0.00 0.00 39.64 38.53 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 0.09 -3.27 7.28 5.15 -0.84 -1.85 115.26 119.95 2fnb n ASN 82 Ca -0.02 0.08 -0.09 0.00 -0.60 0.00 0.00 54.58 53.95 2fnb n ASN 82 Cb 0.16 -0.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.77 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 4.52 -0.09 3.51 8.20 0.00 -1.26 -4.83 105.19 115.24 2fnb n GLY 83 Ca 0.47 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.82 -0.47 0.01 -0.02 0.00 -0.77 -5.19 107.32 97.07 2fnb s GLY 84 Ca 0.04 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2fnb s GLY 84 CO 0.24 0.28 -0.03 1.85 0.00 0.00 0.00 173.10 175.44 2fnb s GLU 85 N -3.25 0.25 0.41 2.90 2.12 -1.26 -0.57 118.70 119.30 2fnb s GLU 85 Ca 0.05 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 54.92 2fnb s GLU 85 Cb -0.01 -0.01 0.09 0.00 0.26 0.00 0.00 34.13 34.46 2fnb s GLU 85 CO -0.09 -0.01 0.56 0.43 -0.54 0.00 0.00 175.26 175.61 2fnb n SER 86 N 2.15 0.26 -4.75 -1.70 7.64 -1.07 -4.54 113.62 111.61 2fnb n SER 86 Ca -0.19 -1.33 -0.42 0.00 1.01 0.00 0.00 58.87 57.94 2fnb n SER 86 Cb 0.57 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 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 -3.61 3.74 0.21 -0.43 0.00 -1.26 -4.90 121.76 115.50 2fnb s ALA 87 Ca 0.33 1.52 -0.31 0.00 0.00 0.00 0.00 51.96 53.50 2fnb s ALA 87 Cb -0.01 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 2fnb s ALA 87 CO 0.23 -0.92 1.50 -1.25 0.00 0.00 0.00 175.76 175.32 2fnb s PRO 88 N -0.30 4.24 -0.26 0.00 0.04 -1.26 -4.80 135.00 132.66 2fnb s PRO 88 Ca 0.63 2.33 0.02 0.00 0.04 0.00 0.00 61.00 64.02 2fnb s PRO 88 Cb -0.47 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.00 2fnb s PRO 88 CO 0.45 -0.51 -0.09 0.99 0.04 0.00 0.00 177.00 177.87 2fnb s THR 89 N 0.55 2.36 0.13 1.26 2.01 -1.09 -5.03 115.64 115.84 2fnb s THR 89 Ca 0.64 -1.49 0.09 0.00 0.31 0.00 0.00 61.69 61.24 2fnb s THR 89 Cb -0.43 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2fnb s THR 89 CO 0.38 0.02 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.23 2fnb s THR 90 N 1.16 1.80 0.08 -0.82 2.01 -1.26 -1.37 115.64 117.24 2fnb s THR 90 Ca -0.07 -1.71 0.04 0.00 0.31 0.00 0.00 61.69 60.26 2fnb s THR 90 Cb -0.19 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2fnb s THR 90 CO -0.05 -0.16 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.40 2fnb s LEU 91 N -2.23 2.36 -0.10 4.42 0.20 -1.09 -5.01 118.68 117.23 2fnb s LEU 91 Ca 0.11 -0.74 0.01 0.00 0.69 0.00 0.00 54.13 54.20 2fnb s LEU 91 Cb -0.08 -0.33 -0.02 0.00 -0.43 0.00 0.00 46.19 45.33 2fnb s LEU 91 CO 0.05 -0.22 -0.11 0.28 -0.29 0.00 0.00 176.35 176.06 2fnb s THR 92 N -2.08 3.28 -0.14 3.68 -1.32 -1.26 -1.30 115.64 116.49 2fnb s THR 92 Ca 0.02 -0.61 -0.02 0.00 -1.21 0.00 0.00 61.69 59.87 2fnb s THR 92 Cb -0.05 -2.35 0.05 0.00 -1.51 0.00 0.00 72.50 68.63 2fnb s THR 92 CO 0.00 0.56 0.01 -1.10 -2.21 0.00 0.00 174.62 171.89 2fnb s GLN 93 N -0.22 0.70 -0.42 7.08 -1.52 -0.53 -4.95 119.66 119.80 2fnb s GLN 93 Ca 0.01 -0.21 -0.25 0.00 -1.95 0.00 0.00 55.36 52.96 2fnb s GLN 93 Cb -0.13 -1.65 0.02 0.00 -0.22 0.00 0.00 33.01 31.03 2fnb s GLN 93 CO 0.03 -0.49 0.88 -1.14 -0.25 0.00 0.00 175.29 174.32 2fnb s GLN 94 N 1.89 3.63 0.00 2.91 0.74 -1.26 -2.15 119.66 125.42 2fnb s GLN 94 Ca 0.02 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.67 2fnb s GLN 94 Cb -0.15 -3.88 0.00 0.00 1.10 0.00 0.00 33.01 30.08 2fnb s GLN 94 CO -0.07 -1.07 0.00 2.41 -0.55 0.00 0.00 175.29 176.01