#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f08 s HIS 3 N 0.00 -0.15 0.05 0.00 0.00 -1.26 -0.87 115.29 113.07 3f08 s HIS 3 Ca 0.00 -0.18 -0.26 0.00 -3.00 0.00 0.00 55.06 51.62 3f08 s HIS 3 Cb 0.00 0.29 0.07 0.00 -4.00 0.00 0.00 32.58 28.93 3f08 s HIS 3 CO 0.00 -0.77 0.61 -0.08 -1.00 0.00 0.00 174.74 173.50 3f08 s THR 4 N -3.83 0.01 -0.04 -5.38 -1.32 -0.21 -4.99 115.64 99.87 3f08 s THR 4 Ca 0.06 -0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.30 3f08 s THR 4 Cb 0.01 -0.99 0.03 0.00 -1.51 0.00 0.00 72.50 70.04 3f08 s THR 4 CO -0.08 -0.03 0.39 -0.89 -2.21 0.00 0.00 174.62 171.79 3f08 s THR 5 N -2.47 0.04 -0.00 5.08 2.01 -1.26 -0.67 115.64 118.36 3f08 s THR 5 Ca -0.05 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 3f08 s THR 5 Cb -0.01 -0.67 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 3f08 s THR 5 CO -0.02 -0.17 0.10 0.28 -0.69 0.00 0.00 174.62 174.12 3f08 s THR 6 N -1.06 0.07 0.22 -0.82 -1.32 -0.40 -5.00 115.64 107.32 3f08 s THR 6 Ca -0.11 -0.61 0.04 0.00 -1.21 0.00 0.00 61.69 59.80 3f08 s THR 6 Cb -0.04 -0.36 -0.01 0.00 -1.51 0.00 0.00 72.50 70.58 3f08 s THR 6 CO 0.05 -0.34 0.13 -0.24 -2.21 0.00 0.00 174.62 172.01 3f08 n SER 7 N 1.75 0.25 -4.13 8.08 2.88 -1.26 -1.33 113.62 119.86 3f08 n SER 7 Ca -0.21 -2.29 -0.34 0.00 -1.33 0.00 0.00 58.87 54.70 3f08 n SER 7 Cb 0.56 0.82 -0.14 0.00 -0.75 0.00 0.00 64.21 64.70 3f08 n SER 7 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3f08 s GLU 9 N -2.85 2.41 -0.03 -1.46 0.41 -1.26 -5.00 118.70 110.91 3f08 s GLU 9 Ca 0.19 -1.26 -0.17 0.00 -0.41 0.00 0.00 54.97 53.32 3f08 s GLU 9 Cb 0.01 -3.02 -0.05 0.00 -1.78 0.00 0.00 34.13 29.28 3f08 s GLU 9 CO 0.13 -0.57 0.46 0.42 -0.49 0.00 0.00 175.26 175.21 3f08 s ILE 10 N 1.20 5.04 -1.48 -1.63 -1.09 0.15 -4.89 121.20 118.50 3f08 s ILE 10 Ca -0.06 0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 59.17 3f08 s ILE 10 Cb -0.19 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 36.93 3f08 s ILE 10 CO -0.03 0.48 2.37 0.49 -1.23 0.00 0.00 174.94 177.02 3f08 n PHE 11 N 2.52 3.22 -3.55 3.97 3.72 -1.26 -0.44 117.46 125.64 3f08 n PHE 11 Ca -0.11 -2.99 -0.17 0.00 -0.05 0.00 0.00 57.45 54.14 3f08 n PHE 11 Cb 0.52 -2.48 -0.06 0.00 -0.94 0.00 0.00 39.48 36.51 3f08 n PHE 11 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3f08 s GLY 12 N 2.73 -0.56 0.98 1.37 0.00 -0.68 -4.89 107.32 106.27 3f08 s GLY 12 Ca 0.52 1.54 -0.11 0.00 0.00 0.00 0.00 44.72 46.67 3f08 s GLY 12 CO -0.08 1.18 1.10 -1.35 0.00 0.00 0.00 173.10 173.95 3f08 s SER 13 N -0.76 2.50 0.32 1.64 1.04 -1.21 -2.10 113.70 115.13 3f08 s SER 13 Ca -0.08 1.86 0.01 0.00 0.48 0.00 0.00 55.95 58.22 3f08 s SER 13 Cb -0.01 -2.43 0.57 0.00 0.10 0.00 0.00 66.02 64.24 3f08 s SER 13 CO 0.07 -3.31 1.94 0.71 0.98 0.00 0.00 173.24 173.64 3f08 h THR 14 N -2.01 1.09 -0.42 2.02 1.35 -1.77 -1.35 112.91 111.82 3f08 h THR 14 Ca -0.50 -0.33 -0.07 0.00 -0.55 0.00 0.00 66.41 64.96 3f08 h THR 14 Cb 1.29 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 3f08 h THR 14 CO 0.47 0.18 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.57 3f08 h GLU 15 N 0.98 0.75 0.04 4.72 3.07 -1.92 -0.91 114.58 121.30 3f08 h GLU 15 Ca 0.34 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3f08 h GLU 15 Cb 0.13 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3f08 h GLU 15 CO -0.11 0.83 -0.02 1.96 -1.40 0.00 0.00 179.01 180.27 3f08 h GLN 16 N 0.58 -0.05 -0.13 2.33 4.20 -1.77 -0.77 115.11 119.50 3f08 h GLN 16 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3f08 h GLN 16 Cb 0.50 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3f08 h GLN 16 CO 0.02 0.19 0.08 0.28 -0.67 0.00 0.00 178.83 178.73 3f08 h VAL 17 N -0.30 1.02 -0.15 -0.54 2.07 -1.26 -1.10 116.25 115.99 3f08 h VAL 17 Ca -0.01 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3f08 h VAL 17 Cb 0.27 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3f08 h VAL 17 CO 0.01 0.03 -0.26 -0.25 0.02 0.00 0.00 177.57 177.12 3f08 h TRP 18 N 0.16 0.30 -0.56 1.57 2.91 -1.19 0.11 115.95 119.24 3f08 h TRP 18 Ca 0.05 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 3f08 h TRP 18 Cb -0.01 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.54 3f08 h TRP 18 CO -0.08 0.52 0.33 0.37 -1.03 0.00 0.00 178.44 178.55 3f08 h GLN 19 N 0.25 0.77 0.10 2.65 -0.00 -0.71 0.50 115.11 118.67 3f08 h GLN 19 Ca 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 3f08 h GLN 19 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.92 3f08 h GLN 19 CO 0.04 0.57 -0.05 1.25 0.00 0.00 0.00 178.83 180.65 3f08 h LEU 20 N 0.76 -0.12 -0.19 -2.39 6.46 -0.67 -3.38 115.31 115.78 3f08 h LEU 20 Ca 0.20 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 3f08 h LEU 20 Cb 0.01 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3f08 h LEU 20 CO -0.04 0.34 -0.87 2.30 -0.62 0.00 0.00 178.44 179.55 3f08 n ILE 21 N -4.94 0.00 0.28 4.05 -5.35 0.32 -4.48 119.36 109.24 3f08 n ILE 21 Ca -0.09 -0.05 0.13 0.00 -0.27 0.00 0.00 62.75 62.47 3f08 n ILE 21 Cb 0.25 1.00 0.79 0.00 -1.74 0.00 0.00 39.64 39.94 3f08 n ILE 21 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3f08 h GLY 22 N 4.97 0.00 -4.67 3.28 0.00 -0.18 -3.43 103.07 103.04 3f08 h GLY 22 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3f08 h GLY 22 CO 0.00 0.00 0.70 -0.32 0.00 0.00 0.00 176.54 176.92 3f08 s GLY 23 N -4.14 2.10 0.40 4.60 0.00 -1.26 -4.91 107.32 104.11 3f08 s GLY 23 Ca -0.04 0.86 0.10 0.00 0.00 0.00 0.00 44.72 45.64 3f08 s GLY 23 CO 0.58 2.28 1.94 -2.75 0.00 0.00 0.00 173.10 175.15 3f08 h PHE 24 N 7.26 0.23 -0.57 1.90 3.57 -1.96 -1.87 116.94 125.50 3f08 h PHE 24 Ca -0.39 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3f08 h PHE 24 Cb 1.19 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.86 3f08 h PHE 24 CO 0.71 0.33 0.00 -1.71 -2.23 0.00 0.00 178.31 175.41 3f08 n ASN 25 N -4.30 3.35 -0.96 0.41 4.05 -1.26 -4.44 115.26 112.10 3f08 n ASN 25 Ca -0.01 -2.10 0.10 0.00 0.45 0.00 0.00 54.58 53.02 3f08 n ASN 25 Cb 0.24 -0.43 0.26 0.00 1.23 0.00 0.00 39.78 41.09 3f08 n ASN 25 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 3f08 n SER 26 N 1.12 2.83 -0.32 1.20 7.64 -0.70 -4.53 113.62 120.85 3f08 n SER 26 Ca 0.20 -1.94 0.18 0.00 1.01 0.00 0.00 58.87 58.32 3f08 n SER 26 Cb 0.56 -0.29 0.43 0.00 -1.01 0.00 0.00 64.21 63.90 3f08 n SER 26 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3f08 h LEU 27 N 3.33 0.58 -0.12 -3.43 3.38 -1.78 0.21 115.31 117.49 3f08 h LEU 27 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3f08 h LEU 27 Cb 0.75 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3f08 h LEU 27 CO 0.00 0.16 0.00 -0.81 0.09 0.00 0.00 178.44 177.88 3f08 n PRO 28 N -4.69 0.03 0.02 1.13 -0.04 -1.26 0.05 135.00 130.24 3f08 n PRO 28 Ca 0.24 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3f08 n PRO 28 Cb 0.74 -1.56 0.54 0.00 -0.04 0.00 0.00 33.50 33.18 3f08 n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3f08 n ASP 29 N -1.62 0.12 0.00 3.54 8.00 0.74 -4.17 116.55 123.16 3f08 n ASP 29 Ca 0.03 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.04 3f08 n ASP 29 Cb 0.17 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3f08 n ASP 29 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3f08 n TRP 30 N -1.61 0.00 -3.93 1.24 4.27 -0.75 -5.03 117.44 111.63 3f08 n TRP 30 Ca 0.06 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.34 3f08 n TRP 30 Cb 0.32 0.01 -0.14 0.00 -1.36 0.00 0.00 31.31 30.14 3f08 n TRP 30 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3f08 s LEU 31 N 0.00 4.48 0.44 5.67 1.02 0.11 -4.23 118.68 126.16 3f08 s LEU 31 Ca 0.00 -1.78 0.11 0.00 0.02 0.00 0.00 54.13 52.48 3f08 s LEU 31 Cb 0.00 -1.69 0.98 0.00 0.02 0.00 0.00 46.19 45.50 3f08 s LEU 31 CO 0.00 -0.37 2.05 -0.65 0.02 0.00 0.00 176.35 177.40 3f08 h PRO 32 N 7.86 0.40 -0.03 1.29 0.11 -1.85 -2.55 132.00 137.23 3f08 h PRO 32 Ca -0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3f08 h PRO 32 Cb 1.04 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3f08 h PRO 32 CO 0.56 0.27 0.00 2.48 -0.21 0.00 0.00 178.00 181.10 3f08 n TYR 33 N -4.48 0.04 -3.86 0.65 0.18 -1.26 -4.13 117.16 104.30 3f08 n TYR 33 Ca 0.04 -0.02 -0.28 0.00 1.88 0.00 0.00 57.90 59.52 3f08 n TYR 33 Cb 0.16 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.01 3f08 n TYR 33 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 3f08 n ILE 34 N -0.56 1.73 -0.25 -3.48 2.08 -0.96 -4.03 119.36 113.88 3f08 n ILE 34 Ca 0.14 -4.91 0.04 0.00 0.56 0.00 0.00 62.75 58.58 3f08 n ILE 34 Cb 0.11 -2.18 0.18 0.00 -0.75 0.00 0.00 39.64 37.00 3f08 n ILE 34 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3f08 h PRO 35 N 5.28 0.48 -4.20 0.38 0.11 -1.71 -3.35 132.00 128.98 3f08 h PRO 35 Ca 0.15 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.07 3f08 h PRO 35 Cb 0.74 -0.11 -0.18 0.00 0.11 0.00 0.00 31.00 31.56 3f08 h PRO 35 CO 0.73 0.32 -0.70 0.45 -0.21 0.00 0.00 178.00 178.59 3f08 s SER 36 N -5.38 0.48 -0.13 -2.05 0.15 -1.25 -4.86 113.70 100.65 3f08 s SER 36 Ca -0.12 -0.72 -0.10 0.00 0.70 0.00 0.00 55.95 55.71 3f08 s SER 36 Cb 0.20 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 3f08 s SER 36 CO 0.76 -0.41 0.33 -0.55 1.20 0.00 0.00 173.24 174.58 3f08 s SER 37 N -2.12 -0.37 0.09 5.45 0.15 -1.26 -1.73 113.70 113.91 3f08 s SER 37 Ca -0.05 0.69 0.05 0.00 0.70 0.00 0.00 55.95 57.35 3f08 s SER 37 Cb -0.02 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 3f08 s SER 37 CO -0.04 -0.15 -0.13 -0.54 1.20 0.00 0.00 173.24 173.58 3f08 s LYS 38 N 0.72 0.86 -0.00 5.44 -0.14 -0.82 -4.96 119.74 120.84 3f08 s LYS 38 Ca -0.04 -1.04 0.01 0.00 -1.36 0.00 0.00 55.97 53.53 3f08 s LYS 38 Cb -0.06 -0.78 -0.04 0.00 -1.68 0.00 0.00 37.83 35.28 3f08 s LYS 38 CO -0.05 0.16 0.01 -0.51 -0.76 0.00 0.00 175.35 174.20 3f08 s LEU 39 N -2.00 3.56 0.41 3.17 1.43 -1.26 -0.21 118.68 123.78 3f08 s LEU 39 Ca 0.01 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3f08 s LEU 39 Cb -0.08 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3f08 s LEU 39 CO 0.02 0.28 0.15 0.42 0.23 0.00 0.00 176.35 177.45 3f08 s THR 40 N -1.10 0.51 -1.42 5.49 -4.23 0.56 -4.77 115.64 110.68 3f08 s THR 40 Ca 0.20 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 3f08 s THR 40 Cb -0.12 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.44 3f08 s THR 40 CO 0.11 0.00 0.80 -0.62 -0.54 0.00 0.00 174.62 174.36 3f08 n GLU 41 N -0.91 -5.01 -0.99 3.99 1.02 -1.26 -1.27 120.64 116.21 3f08 n GLU 41 Ca -0.05 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 3f08 n GLU 41 Cb 0.65 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 3f08 n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f08 n GLY 42 N -1.66 0.18 0.00 0.62 0.00 -1.26 -2.51 105.19 100.55 3f08 n GLY 42 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3f08 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f08 n GLY 43 N -0.42 0.94 0.07 -0.02 0.00 -0.39 -5.00 105.19 100.38 3f08 n GLY 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3f08 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f08 n ARG 44 N -0.77 0.29 -4.61 1.61 1.74 -0.99 -4.85 116.66 109.08 3f08 n ARG 44 Ca 0.00 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 3f08 n ARG 44 Cb 0.00 -1.71 -0.16 0.00 -1.02 0.00 0.00 32.46 29.57 3f08 n ARG 44 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3f08 s VAL 45 N -3.16 1.11 -0.06 1.55 1.01 -0.98 -0.19 120.40 119.68 3f08 s VAL 45 Ca 0.07 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3f08 s VAL 45 Cb 0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3f08 s VAL 45 CO 0.70 0.33 -0.18 0.00 0.00 0.00 0.00 175.10 175.95 3f08 s ARG 46 N 0.17 2.65 -0.34 2.72 1.70 -0.33 -0.32 118.95 125.20 3f08 s ARG 46 Ca -0.05 -0.78 -0.09 0.00 -0.47 0.00 0.00 55.73 54.35 3f08 s ARG 46 Cb -0.11 -2.33 0.02 0.00 -0.57 0.00 0.00 34.95 31.97 3f08 s ARG 46 CO 0.02 0.47 0.14 -1.01 -1.08 0.00 0.00 175.30 173.83 3f08 s HIS 47 N -0.34 3.22 -0.20 5.89 3.76 0.71 -1.50 115.29 126.82 3f08 s HIS 47 Ca 0.02 -1.05 -0.09 0.00 -0.15 0.00 0.00 55.06 53.80 3f08 s HIS 47 Cb -0.13 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 3f08 s HIS 47 CO 0.02 -0.63 0.10 -0.51 -0.85 0.00 0.00 174.74 172.87 3f08 s LEU 48 N 1.51 3.91 -0.14 0.89 1.43 0.15 -1.95 118.68 124.48 3f08 s LEU 48 Ca 0.01 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3f08 s LEU 48 Cb -0.19 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3f08 s LEU 48 CO 0.05 0.13 -0.04 0.00 0.23 0.00 0.00 176.35 176.72 3f08 s ALA 49 N 0.63 3.03 0.57 4.21 0.00 -0.70 0.97 121.76 130.46 3f08 s ALA 49 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3f08 s ALA 49 Cb -0.13 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.54 3f08 s ALA 49 CO 0.01 0.30 0.79 0.54 0.00 0.00 0.00 175.76 177.40 3f08 s ASN 50 N 0.09 5.15 0.43 0.00 6.03 -0.67 -3.34 114.94 122.64 3f08 s ASN 50 Ca -0.00 -0.18 0.21 0.00 -1.03 0.00 0.00 52.86 51.85 3f08 s ASN 50 Cb -0.13 -0.61 1.18 0.00 -3.03 0.00 0.00 41.25 38.65 3f08 s ASN 50 CO 0.03 -1.24 1.81 -0.65 -2.03 0.00 0.00 177.10 175.03 3f08 h PRO 51 N 0.05 0.31 -0.81 3.55 0.11 -1.90 -0.69 132.00 132.61 3f08 h PRO 51 Ca -0.40 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.83 3f08 h PRO 51 Cb 1.29 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3f08 h PRO 51 CO 0.48 0.20 0.53 -0.44 -0.21 0.00 0.00 178.00 178.57 3f08 h ASP 52 N 0.32 0.54 0.00 -2.05 3.32 -1.95 -3.45 116.42 113.15 3f08 h ASP 52 Ca 0.53 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.61 3f08 h ASP 52 Cb 1.49 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3f08 h ASP 52 CO -0.20 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 3f08 n GLY 53 N -1.47 0.73 3.75 2.75 0.00 -0.27 -5.07 105.19 105.61 3f08 n GLY 53 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3f08 n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f08 s GLU 54 N -0.52 4.46 -0.10 1.61 2.12 -1.26 -4.78 118.70 120.23 3f08 s GLU 54 Ca 0.00 1.99 0.01 0.00 0.36 0.00 0.00 54.97 57.34 3f08 s GLU 54 Cb 0.00 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 3f08 s GLU 54 CO 0.00 -0.10 -0.14 0.99 -0.54 0.00 0.00 175.26 175.47 3f08 s THR 55 N -0.45 3.03 -0.10 -1.70 2.01 -1.26 -1.67 115.64 115.51 3f08 s THR 55 Ca 0.52 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 3f08 s THR 55 Cb -0.35 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3f08 s THR 55 CO 0.41 0.55 0.10 -0.63 -0.69 0.00 0.00 174.62 174.36 3f08 s ILE 56 N -0.03 5.11 -0.15 1.82 1.01 0.27 -4.87 121.20 124.36 3f08 s ILE 56 Ca -0.03 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3f08 s ILE 56 Cb -0.14 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.12 3f08 s ILE 56 CO 0.04 0.59 -0.18 -0.63 0.00 0.00 0.00 174.94 174.76 3f08 s ILE 57 N -1.01 2.39 0.07 2.92 1.01 -0.38 0.33 121.20 126.52 3f08 s ILE 57 Ca 0.15 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.02 3f08 s ILE 57 Cb -0.12 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3f08 s ILE 57 CO 0.05 0.53 -0.19 -1.61 0.00 0.00 0.00 174.94 173.71 3f08 s GLU 58 N 0.90 1.19 -0.14 2.79 2.02 -0.56 -1.81 118.70 123.10 3f08 s GLU 58 Ca -0.04 -0.99 -0.03 0.00 0.02 0.00 0.00 54.97 53.92 3f08 s GLU 58 Cb -0.15 -1.34 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 3f08 s GLU 58 CO -0.03 0.33 -0.03 0.50 0.02 0.00 0.00 175.26 176.05 3f08 s ARG 59 N -1.46 3.49 -0.06 1.61 3.52 -0.02 -1.19 118.95 124.83 3f08 s ARG 59 Ca 0.06 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 3f08 s ARG 59 Cb -0.09 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 3f08 s ARG 59 CO 0.03 0.36 1.29 -1.17 -0.81 0.00 0.00 175.30 174.99 3f08 s LEU 60 N 0.06 4.27 -0.22 -0.88 2.96 0.74 -0.87 118.68 124.73 3f08 s LEU 60 Ca 0.00 1.89 -0.05 0.00 -0.22 0.00 0.00 54.13 55.75 3f08 s LEU 60 Cb -0.13 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 3f08 s LEU 60 CO 0.03 -0.68 -0.24 -0.62 -1.32 0.00 0.00 176.35 173.52 3f08 n GLU 61 N 5.64 0.50 -3.91 1.98 -0.58 0.16 -4.94 120.64 119.50 3f08 n GLU 61 Ca 0.12 0.17 -0.11 0.00 -0.42 0.00 0.00 57.16 56.93 3f08 n GLU 61 Cb 0.45 -1.35 -0.11 0.00 -0.57 0.00 0.00 31.44 29.86 3f08 n GLU 61 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3f08 s VAL 62 N -2.41 0.07 -0.10 2.62 1.01 -0.91 -4.96 120.40 115.72 3f08 s VAL 62 Ca -0.30 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3f08 s VAL 62 Cb 0.10 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.24 3f08 s VAL 62 CO 0.43 -0.32 0.25 0.12 0.00 0.00 0.00 175.10 175.59 3f08 s PHE 63 N -1.00 -0.31 -0.24 5.22 2.19 -1.26 -0.29 117.98 122.30 3f08 s PHE 63 Ca -0.11 0.73 -0.03 0.00 0.33 0.00 0.00 56.93 57.85 3f08 s PHE 63 Cb -0.06 0.08 0.11 0.00 -1.31 0.00 0.00 43.02 41.83 3f08 s PHE 63 CO 0.00 -0.18 0.23 1.21 1.83 0.00 0.00 175.22 178.31 3f08 s ASN 64 N 0.67 1.69 0.09 6.13 3.04 -0.64 -5.02 114.94 120.89 3f08 s ASN 64 Ca -0.04 -0.48 -0.22 0.00 0.04 0.00 0.00 52.86 52.16 3f08 s ASN 64 Cb -0.06 0.34 -0.12 0.00 -1.54 0.00 0.00 41.25 39.88 3f08 s ASN 64 CO -0.04 -0.36 1.66 -0.78 -3.04 0.00 0.00 177.10 174.54 3f08 h ASP 65 N 8.31 0.14 0.77 -4.21 3.58 -1.97 -1.60 116.42 121.43 3f08 h ASP 65 Ca -0.16 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.08 3f08 h ASP 65 Cb 1.12 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 3f08 h ASP 65 CO 0.31 0.21 -0.46 0.11 -2.88 0.00 0.00 179.24 176.53 3f08 h LYS 66 N 0.06 0.00 -0.17 0.28 1.79 -1.96 -2.44 116.57 114.12 3f08 h LYS 66 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3f08 h LYS 66 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3f08 h LYS 66 CO -0.01 0.46 0.00 0.39 -1.08 0.00 0.00 179.45 179.22 3f08 n GLU 67 N -3.63 1.88 -3.83 3.15 1.02 -1.20 -4.98 120.64 113.06 3f08 n GLU 67 Ca -0.01 -1.32 -0.37 0.00 -0.02 0.00 0.00 57.16 55.44 3f08 n GLU 67 Cb 0.55 -1.43 0.03 0.00 -0.02 0.00 0.00 31.44 30.57 3f08 n GLU 67 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3f08 n ARG 68 N 0.55 -0.83 -3.53 3.49 1.74 -0.64 -4.68 116.66 112.76 3f08 n ARG 68 Ca 0.17 0.32 -0.12 0.00 -0.77 0.00 0.00 57.85 57.45 3f08 n ARG 68 Cb 0.40 -3.47 -0.04 0.00 -1.02 0.00 0.00 32.46 28.33 3f08 n ARG 68 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3f08 s TYR 69 N -3.47 -0.41 0.00 -1.55 -0.85 -1.00 -1.11 117.35 108.96 3f08 s TYR 69 Ca 0.47 0.28 -0.07 0.00 -0.52 0.00 0.00 57.07 57.23 3f08 s TYR 69 Cb -0.21 0.40 -0.00 0.00 0.38 0.00 0.00 41.96 42.53 3f08 s TYR 69 CO 0.90 -0.73 0.12 1.52 -1.52 0.00 0.00 175.55 175.84 3f08 s TYR 70 N -3.27 0.06 -0.04 -3.49 -0.85 -1.04 -1.63 117.35 107.10 3f08 s TYR 70 Ca -0.01 -0.17 0.06 0.00 -0.52 0.00 0.00 57.07 56.43 3f08 s TYR 70 Cb -0.00 -0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 3f08 s TYR 70 CO -0.08 -0.28 -0.21 0.99 -1.52 0.00 0.00 175.55 174.44 3f08 s THR 71 N -1.40 1.74 0.09 -3.49 2.01 0.61 -2.17 115.64 113.03 3f08 s THR 71 Ca -0.15 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 60.95 3f08 s THR 71 Cb -0.08 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 3f08 s THR 71 CO 0.01 0.49 -0.05 -0.72 -0.69 0.00 0.00 174.62 173.67 3f08 s TYR 72 N -0.22 0.81 0.33 4.92 -0.85 0.33 0.40 117.35 123.08 3f08 s TYR 72 Ca 0.00 -0.98 0.08 0.00 -0.52 0.00 0.00 57.07 55.66 3f08 s TYR 72 Cb -0.11 -0.49 -0.06 0.00 0.38 0.00 0.00 41.96 41.67 3f08 s TYR 72 CO 0.02 -0.23 -0.06 -1.54 -1.52 0.00 0.00 175.55 172.21 3f08 s SER 73 N -3.02 3.42 0.42 -0.18 1.04 -0.05 -0.59 113.70 114.73 3f08 s SER 73 Ca 0.12 -1.23 0.08 0.00 0.48 0.00 0.00 55.95 55.40 3f08 s SER 73 Cb 0.06 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 3f08 s SER 73 CO -0.05 -0.29 0.43 -0.63 0.98 0.00 0.00 173.24 173.67 3f08 s ILE 74 N -2.77 2.75 -0.23 -1.02 1.01 -1.24 -0.84 121.20 118.87 3f08 s ILE 74 Ca 0.32 -1.25 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 3f08 s ILE 74 Cb 0.04 -3.00 -0.08 0.00 0.01 0.00 0.00 42.46 39.43 3f08 s ILE 74 CO 0.15 -0.00 2.17 0.59 0.00 0.00 0.00 174.94 177.85 3f08 n ASN 76 N -1.62 3.02 -3.47 3.58 3.02 -0.75 -4.90 115.26 114.14 3f08 n ASN 76 Ca 0.05 0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.83 3f08 n ASN 76 Cb 0.61 -1.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.29 3f08 n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f08 s ALA 77 N 7.42 -1.61 -0.27 5.41 0.00 -1.26 -1.25 121.76 130.20 3f08 s ALA 77 Ca 1.02 0.74 0.01 0.00 0.00 0.00 0.00 51.96 53.73 3f08 s ALA 77 Cb -0.52 0.57 0.33 0.00 0.00 0.00 0.00 23.12 23.50 3f08 s ALA 77 CO 0.41 -0.62 1.63 -0.35 0.00 0.00 0.00 175.76 176.82 3f08 n PRO 78 N 0.08 1.73 -4.11 0.00 -0.04 -1.26 -4.92 135.00 126.49 3f08 n PRO 78 Ca -0.18 -1.65 -0.35 0.00 -0.04 0.00 0.00 63.50 61.28 3f08 n PRO 78 Cb 0.62 -1.65 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 3f08 n PRO 78 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3f08 s PHE 79 N -1.84 3.33 -0.70 0.54 0.08 -1.26 -5.00 117.98 113.13 3f08 s PHE 79 Ca 0.32 0.28 -0.05 0.00 0.12 0.00 0.00 56.93 57.59 3f08 s PHE 79 Cb 0.26 -1.92 -0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3f08 s PHE 79 CO 0.04 0.48 2.32 -0.35 -0.10 0.00 0.00 175.22 177.61 3f08 n PRO 80 N 2.45 1.99 -3.87 0.24 -0.04 -1.26 -4.80 135.00 129.72 3f08 n PRO 80 Ca -0.19 -1.27 -0.10 0.00 -0.04 0.00 0.00 63.50 61.91 3f08 n PRO 80 Cb 0.54 -2.28 -0.09 0.00 -0.04 0.00 0.00 33.50 31.63 3f08 n PRO 80 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3f08 s VAL 81 N 2.74 0.12 0.26 0.52 -7.23 -1.26 -1.22 120.40 114.33 3f08 s VAL 81 Ca 0.44 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3f08 s VAL 81 Cb 0.14 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 36.09 3f08 s VAL 81 CO -0.03 -0.53 0.10 0.28 -0.31 0.00 0.00 175.10 174.61 3f08 s THR 82 N -2.68 0.57 -1.42 5.32 -1.32 -0.04 -4.81 115.64 111.25 3f08 s THR 82 Ca -0.04 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.37 3f08 s THR 82 Cb -0.01 -2.64 0.03 0.00 -1.51 0.00 0.00 72.50 68.38 3f08 s THR 82 CO -0.05 -0.00 0.53 0.59 -2.21 0.00 0.00 174.62 173.48 3f08 n ASN 83 N -0.47 -5.00 -4.69 8.08 3.02 -1.26 -0.63 115.26 114.31 3f08 n ASN 83 Ca -0.00 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.82 3f08 n ASN 83 Cb 0.66 -4.08 -0.03 0.00 -0.61 0.00 0.00 39.78 35.73 3f08 n ASN 83 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3f08 s TYR 84 N -3.05 3.41 -0.02 3.10 5.04 -1.26 -4.11 117.35 120.46 3f08 s TYR 84 Ca 0.33 1.44 0.02 0.00 -2.44 0.00 0.00 57.07 56.42 3f08 s TYR 84 Cb -0.16 -3.29 0.01 0.00 0.35 0.00 0.00 41.96 38.87 3f08 s TYR 84 CO 0.41 -0.70 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.36 3f08 s LEU 85 N 1.84 1.72 0.01 6.97 1.43 -0.31 -3.65 118.68 126.69 3f08 s LEU 85 Ca 0.53 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3f08 s LEU 85 Cb -0.22 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 3f08 s LEU 85 CO 0.22 0.02 -0.03 -0.55 0.23 0.00 0.00 176.35 176.25 3f08 s SER 86 N 0.29 0.28 -0.04 2.29 0.15 0.24 -1.11 113.70 115.79 3f08 s SER 86 Ca -0.03 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.49 3f08 s SER 86 Cb -0.07 -0.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 3f08 s SER 86 CO -0.00 -0.04 -0.10 -0.89 1.20 0.00 0.00 173.24 173.40 3f08 s THR 87 N -0.37 0.93 -0.10 6.45 2.01 0.22 -0.51 115.64 124.27 3f08 s THR 87 Ca -0.03 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.60 3f08 s THR 87 Cb -0.03 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 3f08 s THR 87 CO -0.00 0.30 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.51 3f08 s ILE 88 N 0.45 2.42 0.02 1.82 2.07 -0.92 -0.89 121.20 126.16 3f08 s ILE 88 Ca -0.08 -0.90 0.01 0.00 -1.41 0.00 0.00 60.65 58.27 3f08 s ILE 88 Cb -0.12 -1.95 -0.01 0.00 0.13 0.00 0.00 42.46 40.51 3f08 s ILE 88 CO 0.02 0.55 -0.05 -1.58 -1.91 0.00 0.00 174.94 171.97 3f08 s GLN 89 N 0.19 0.38 -0.45 3.50 0.74 0.56 -2.49 119.66 122.09 3f08 s GLN 89 Ca -0.12 -0.41 -0.09 0.00 0.05 0.00 0.00 55.36 54.78 3f08 s GLN 89 Cb -0.16 -0.24 0.10 0.00 1.10 0.00 0.00 33.01 33.81 3f08 s GLN 89 CO 0.07 0.05 0.32 0.08 -0.55 0.00 0.00 175.29 175.26 3f08 s VAL 90 N -0.71 4.26 0.45 1.34 1.01 -0.26 -0.77 120.40 125.71 3f08 s VAL 90 Ca -0.05 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.32 3f08 s VAL 90 Cb -0.05 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3f08 s VAL 90 CO -0.00 -0.68 0.65 -0.54 0.00 0.00 0.00 175.10 174.53 3f08 s LYS 91 N 1.40 3.00 0.27 2.72 1.02 0.28 -4.75 119.74 123.67 3f08 s LYS 91 Ca 0.05 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 3f08 s LYS 91 Cb -0.25 -2.59 -0.12 0.00 -0.52 0.00 0.00 37.83 34.35 3f08 s LYS 91 CO 0.00 -0.28 1.52 0.39 -0.92 0.00 0.00 175.35 176.06 3f08 n GLU 92 N -2.05 2.43 -1.61 1.68 4.71 -1.26 -1.39 120.64 123.15 3f08 n GLU 92 Ca 0.02 0.86 -0.19 0.00 -0.01 0.00 0.00 57.16 57.85 3f08 n GLU 92 Cb 0.58 -2.60 0.12 0.00 -1.01 0.00 0.00 31.44 28.53 3f08 n GLU 92 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3f08 n GLY 93 N 2.17 -0.48 0.15 0.62 0.00 -1.15 -3.95 105.19 102.55 3f08 n GLY 93 Ca 0.10 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.31 3f08 n GLY 93 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f08 h THR 94 N -1.10 0.96 -1.83 2.61 1.35 -1.92 -3.46 112.91 109.53 3f08 h THR 94 Ca -0.27 -2.12 -0.61 0.00 -0.55 0.00 0.00 66.41 62.86 3f08 h THR 94 Cb 0.84 2.31 -0.13 0.00 -1.73 0.00 0.00 68.15 69.43 3f08 h THR 94 CO 0.23 0.50 -0.61 -1.61 -0.25 0.00 0.00 175.52 173.78 3f08 s GLU 95 N -3.15 1.91 0.23 4.72 2.02 -1.26 -5.03 118.70 118.15 3f08 s GLU 95 Ca 0.02 -2.07 0.25 0.00 0.02 0.00 0.00 54.97 53.19 3f08 s GLU 95 Cb 0.09 -1.55 0.91 0.00 0.10 0.00 0.00 34.13 33.69 3f08 s GLU 95 CO 0.73 -0.05 1.74 -1.13 0.02 0.00 0.00 175.26 176.57 3f08 n SER 96 N -0.92 0.72 -1.24 -0.19 3.41 -1.26 -2.85 113.62 111.28 3f08 n SER 96 Ca -0.05 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3f08 n SER 96 Cb 0.67 -0.80 0.31 0.00 -0.26 0.00 0.00 64.21 64.13 3f08 n SER 96 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3f08 n ASN 97 N -2.23 4.53 -4.18 4.04 6.94 -1.26 -4.26 115.26 118.84 3f08 n ASN 97 Ca 0.04 -2.98 -0.11 0.00 -0.02 0.00 0.00 54.58 51.51 3f08 n ASN 97 Cb 0.31 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.04 3f08 n ASN 97 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3f08 s THR 98 N -2.78 0.53 0.02 5.53 -4.23 -1.13 -1.69 115.64 111.89 3f08 s THR 98 Ca 0.46 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3f08 s THR 98 Cb 0.37 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.31 3f08 s THR 98 CO 0.12 -0.68 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.03 3f08 s SER 99 N -3.08 0.39 -0.51 3.99 0.01 0.41 -2.92 113.70 112.01 3f08 s SER 99 Ca 0.18 -0.46 -0.13 0.00 1.31 0.00 0.00 55.95 56.84 3f08 s SER 99 Cb 0.06 0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.49 3f08 s SER 99 CO -0.01 -0.24 0.43 -0.22 0.41 0.00 0.00 173.24 173.61 3f08 s LEU 100 N -1.34 5.96 -0.19 2.44 2.96 -0.48 0.30 118.68 128.33 3f08 s LEU 100 Ca -0.13 -1.85 -0.18 0.00 -0.22 0.00 0.00 54.13 51.76 3f08 s LEU 100 Cb -0.09 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 3f08 s LEU 100 CO -0.01 -0.78 0.49 -0.69 -1.32 0.00 0.00 176.35 174.04 3f08 s VAL 101 N 1.49 5.13 -0.12 1.68 1.01 -1.26 -0.56 120.40 127.77 3f08 s VAL 101 Ca 0.04 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.94 3f08 s VAL 101 Cb -0.28 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3f08 s VAL 101 CO 0.01 0.20 -0.18 -0.70 0.00 0.00 0.00 175.10 174.44 3f08 s GLU 102 N 1.51 3.23 -0.15 2.72 2.12 0.05 -4.35 118.70 123.82 3f08 s GLU 102 Ca 0.23 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3f08 s GLU 102 Cb -0.15 -2.50 0.02 0.00 0.26 0.00 0.00 34.13 31.76 3f08 s GLU 102 CO 0.09 0.17 -0.18 -0.46 -0.54 0.00 0.00 175.26 174.34 3f08 s TRP 103 N 0.41 2.46 0.08 5.30 -0.11 -0.44 -0.32 118.94 126.31 3f08 s TRP 103 Ca -0.13 -1.34 0.01 0.00 1.22 0.00 0.00 56.10 55.85 3f08 s TRP 103 Cb -0.17 -1.73 -0.04 0.00 -1.50 0.00 0.00 33.47 30.04 3f08 s TRP 103 CO 0.06 -0.67 -0.05 -1.54 -4.62 0.00 0.00 176.95 170.13 3f08 s SER 104 N 1.18 0.88 0.03 5.86 1.04 -0.06 -1.28 113.70 121.35 3f08 s SER 104 Ca 0.00 -0.97 -0.19 0.00 0.48 0.00 0.00 55.95 55.28 3f08 s SER 104 Cb -0.14 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.15 3f08 s SER 104 CO -0.08 -0.49 0.43 -0.83 0.98 0.00 0.00 173.24 173.25 3f08 s GLY 105 N -2.89 -0.29 -0.01 7.32 0.00 0.16 -0.61 107.32 111.00 3f08 s GLY 105 Ca 0.08 0.40 0.05 0.00 0.00 0.00 0.00 44.72 45.25 3f08 s GLY 105 CO -0.06 0.14 -0.17 -0.51 0.00 0.00 0.00 173.10 172.50 3f08 s THR 106 N -2.26 1.33 0.12 0.90 -4.23 -0.27 -1.04 115.64 110.19 3f08 s THR 106 Ca -0.07 -0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 59.44 3f08 s THR 106 Cb -0.01 -1.11 0.08 0.00 1.34 0.00 0.00 72.50 72.79 3f08 s THR 106 CO -0.01 0.36 1.03 0.72 -0.54 0.00 0.00 174.62 176.17 3f08 s PHE 107 N -0.43 -0.11 -0.16 3.99 -0.71 -0.05 -1.16 117.98 119.35 3f08 s PHE 107 Ca 0.06 -0.15 0.00 0.00 -1.04 0.00 0.00 56.93 55.80 3f08 s PHE 107 Cb -0.07 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 3f08 s PHE 107 CO -0.00 -0.71 -0.15 0.99 -1.34 0.00 0.00 175.22 174.00 3f08 s THR 108 N -3.11 2.61 0.43 -4.49 2.01 0.20 -2.81 115.64 110.48 3f08 s THR 108 Ca 0.13 -0.78 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 3f08 s THR 108 Cb -0.00 -2.10 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 3f08 s THR 108 CO 0.01 0.51 1.21 -2.84 -0.69 0.00 0.00 174.62 172.83 3f08 s PRO 109 N 0.90 3.85 -0.15 4.92 0.02 -1.26 -0.86 135.00 142.42 3f08 s PRO 109 Ca -0.04 1.92 -0.02 0.00 0.02 0.00 0.00 61.00 62.89 3f08 s PRO 109 Cb -0.15 -2.56 0.04 0.00 0.02 0.00 0.00 34.50 31.85 3f08 s PRO 109 CO -0.02 -0.52 -0.01 0.08 -0.33 0.00 0.00 177.00 176.21 3f08 s VAL 110 N -1.42 0.68 0.00 3.83 1.01 -0.35 -4.80 120.40 119.36 3f08 s VAL 110 Ca 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3f08 s VAL 110 Cb -0.32 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3f08 s VAL 110 CO 0.40 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.56 3f08 n ALA 111 N 5.02 0.00 -2.27 5.51 0.00 -1.26 -4.60 120.51 122.91 3f08 n ALA 111 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 3f08 n ALA 111 Cb 0.48 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 3f08 n ALA 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3f08 s VAL 112 N -2.40 0.11 0.75 0.00 -7.23 -1.26 -5.15 120.40 105.22 3f08 s VAL 112 Ca 0.00 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 3f08 s VAL 112 Cb 0.00 -1.91 0.04 0.00 0.56 0.00 0.00 36.38 35.08 3f08 s VAL 112 CO 0.00 -0.51 1.08 -0.94 -0.31 0.00 0.00 175.10 174.42 3f08 s SER 113 N -3.01 4.79 0.27 4.85 1.04 -1.26 -4.85 113.70 115.53 3f08 s SER 113 Ca 0.20 1.65 -0.03 0.00 0.48 0.00 0.00 55.95 58.25 3f08 s SER 113 Cb 0.07 -2.43 0.37 0.00 0.10 0.00 0.00 66.02 64.12 3f08 s SER 113 CO -0.01 -1.83 1.91 0.44 0.98 0.00 0.00 173.24 174.74 3f08 h ASP 114 N -0.98 1.07 -0.67 7.02 5.19 -2.00 -2.07 116.42 123.98 3f08 h ASP 114 Ca -0.44 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3f08 h ASP 114 Cb 1.23 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 3f08 h ASP 114 CO 0.55 0.72 0.41 -0.33 -3.12 0.00 0.00 179.24 177.47 3f08 h GLU 115 N 1.23 0.91 -0.01 3.56 3.07 -1.99 -0.27 114.58 121.09 3f08 h GLU 115 Ca 0.40 -0.07 -0.23 0.00 -0.50 0.00 0.00 59.36 58.95 3f08 h GLU 115 Cb 0.03 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 27.75 3f08 h GLU 115 CO -0.13 0.63 -0.94 1.49 -1.40 0.00 0.00 179.01 178.67 3f08 h GLU 116 N 0.93 0.48 -0.38 2.33 4.81 -1.75 -1.54 114.58 119.45 3f08 h GLU 116 Ca 0.24 -0.50 -0.09 0.00 -0.13 0.00 0.00 59.36 58.89 3f08 h GLU 116 Cb -0.05 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3f08 h GLU 116 CO -0.05 1.14 -0.11 0.00 -0.73 0.00 0.00 179.01 179.27 3f08 h ALA 117 N 0.69 0.52 -0.33 2.92 0.00 -1.15 -1.26 119.26 120.66 3f08 h ALA 117 Ca -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3f08 h ALA 117 Cb 1.57 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3f08 h ALA 117 CO 0.17 0.39 0.19 0.82 0.00 0.00 0.00 179.25 180.82 3f08 h ILE 118 N 0.54 1.12 -0.59 0.00 2.04 -1.06 -0.41 117.51 119.15 3f08 h ILE 118 Ca 0.09 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3f08 h ILE 118 Cb 0.63 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3f08 h ILE 118 CO 0.04 0.12 0.11 -1.13 0.00 0.00 0.00 178.15 177.29 3f08 h ASN 119 N 0.42 0.88 -0.11 1.72 -1.24 -1.17 0.98 115.58 117.06 3f08 h ASN 119 Ca 0.12 -0.18 -0.03 0.00 0.71 0.00 0.00 56.30 56.92 3f08 h ASN 119 Cb 0.02 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 3f08 h ASN 119 CO -0.02 0.88 -0.03 0.25 -1.29 0.00 0.00 177.43 177.22 3f08 h LEU 120 N 0.89 0.22 -0.29 0.34 5.85 -0.97 -0.66 115.31 120.70 3f08 h LEU 120 Ca 0.19 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3f08 h LEU 120 Cb 0.37 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3f08 h LEU 120 CO 0.01 0.54 0.06 0.58 -0.34 0.00 0.00 178.44 179.29 3f08 h VAL 121 N -0.10 1.23 -0.73 1.05 2.07 -0.95 -1.84 116.25 116.97 3f08 h VAL 121 Ca 0.03 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3f08 h VAL 121 Cb 0.45 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3f08 h VAL 121 CO 0.01 0.25 0.45 -0.74 0.02 0.00 0.00 177.57 177.56 3f08 h HIS 122 N 0.30 0.94 -0.55 1.57 -0.00 -0.82 -1.38 115.15 115.20 3f08 h HIS 122 Ca 0.09 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 3f08 h HIS 122 Cb 0.32 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 3f08 h HIS 122 CO 0.02 0.62 0.14 0.78 -0.00 0.00 0.00 177.93 179.48 3f08 h GLY 123 N 1.02 0.90 0.84 5.26 0.00 -0.80 0.30 103.07 110.58 3f08 h GLY 123 Ca 0.26 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3f08 h GLY 123 CO -0.05 0.48 -0.03 -2.22 0.00 0.00 0.00 176.54 174.72 3f08 h ILE 124 N 0.81 1.27 -0.46 2.60 2.04 -0.44 -1.54 117.51 121.78 3f08 h ILE 124 Ca 0.18 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 3f08 h ILE 124 Cb 0.29 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3f08 h ILE 124 CO -0.00 0.30 0.12 1.88 0.00 0.00 0.00 178.15 180.45 3f08 h TYR 125 N 0.18 0.76 -0.50 1.37 0.05 -1.04 -2.00 116.97 115.79 3f08 h TYR 125 Ca 0.06 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 3f08 h TYR 125 Cb 0.46 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3f08 h TYR 125 CO 0.04 0.69 0.11 1.03 -1.05 0.00 0.00 178.16 178.99 3f08 h SER 126 N 0.61 0.72 -0.36 3.88 0.87 -0.91 -1.33 113.55 117.04 3f08 h SER 126 Ca 0.15 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 3f08 h SER 126 Cb 0.30 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3f08 h SER 126 CO -0.00 0.72 -0.41 0.44 -0.53 0.00 0.00 176.83 177.05 3f08 h ASP 127 N 0.75 0.98 -0.65 6.23 3.32 -1.14 -2.47 116.42 123.42 3f08 h ASP 127 Ca 0.16 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 3f08 h ASP 127 Cb 0.29 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3f08 h ASP 127 CO -0.00 1.26 0.22 1.23 -1.72 0.00 0.00 179.24 180.23 3f08 h GLY 128 N 0.72 1.08 1.85 2.75 0.00 -1.03 -1.20 103.07 107.24 3f08 h GLY 128 Ca 0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 3f08 h GLY 128 CO 0.10 0.59 -0.50 1.41 0.00 0.00 0.00 176.54 178.13 3f08 h LEU 129 N 0.94 0.17 -0.67 3.11 3.38 -1.24 0.84 115.31 121.84 3f08 h LEU 129 Ca 0.21 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3f08 h LEU 129 Cb 0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3f08 h LEU 129 CO -0.01 0.65 -0.38 0.11 0.09 0.00 0.00 178.44 178.90 3f08 h LYS 130 N 0.13 0.60 -0.45 1.13 1.57 -1.21 -0.80 116.57 117.54 3f08 h LYS 130 Ca 0.00 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 3f08 h LYS 130 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 3f08 h LYS 130 CO 0.07 0.89 -0.15 0.00 -0.57 0.00 0.00 179.45 179.69 3f08 h ALA 131 N 1.08 0.89 -0.60 3.86 0.00 -0.69 -0.90 119.26 122.90 3f08 h ALA 131 Ca 0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3f08 h ALA 131 Cb 0.89 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3f08 h ALA 131 CO 0.08 0.63 0.05 1.25 0.00 0.00 0.00 179.25 181.26 3f08 h LEU 132 N 0.75 0.97 -0.55 0.00 5.85 -0.48 -1.13 115.31 120.72 3f08 h LEU 132 Ca 0.12 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3f08 h LEU 132 Cb 0.67 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3f08 h LEU 132 CO 0.05 1.00 0.17 -0.61 -0.34 0.00 0.00 178.44 178.71 3f08 h GLN 133 N 0.93 0.87 -0.92 1.25 5.75 -0.78 -2.44 115.11 119.77 3f08 h GLN 133 Ca 0.18 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3f08 h GLN 133 Cb 0.48 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 3f08 h GLN 133 CO 0.02 0.79 0.53 1.25 -2.65 0.00 0.00 178.83 178.77 3f08 h HIS 134 N 0.78 1.23 -0.59 3.99 2.76 -0.81 -1.84 115.15 120.66 3f08 h HIS 134 Ca 0.18 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3f08 h HIS 134 Cb 0.29 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 3f08 h HIS 134 CO 0.02 0.84 0.37 0.00 -1.30 0.00 0.00 177.93 177.85 3f08 h ALA 135 N 1.29 1.53 -0.00 5.26 0.00 -0.82 -1.82 119.26 124.70 3f08 h ALA 135 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3f08 h ALA 135 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3f08 h ALA 135 CO -0.06 0.42 -0.19 1.19 0.00 0.00 0.00 179.25 180.61 3f08 n PHE 136 N -4.42 0.00 0.18 0.00 3.72 -0.77 -2.42 117.46 113.75 3f08 n PHE 136 Ca 0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.57 3f08 n PHE 136 Cb 0.06 -0.39 0.11 0.00 -0.94 0.00 0.00 39.48 38.33 3f08 n PHE 136 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3f08 h LEU 137 N 0.02 0.00 0.00 4.37 4.07 -0.57 -3.49 115.31 119.71 3f08 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3f08 h LEU 137 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3f08 h LEU 137 CO 0.00 0.02 0.00 0.47 -1.08 0.00 0.00 178.44 177.85