#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s LYS 2 N 0.00 4.69 -0.05 0.03 3.01 -1.26 -0.59 119.74 125.57 3f1h s LYS 2 Ca 0.00 1.33 -0.07 0.00 -1.01 0.00 0.00 55.97 56.22 3f1h s LYS 2 Cb 0.00 -3.31 0.01 0.00 -1.01 0.00 0.00 37.83 33.52 3f1h s LYS 2 CO 0.00 0.42 0.18 0.14 0.51 0.00 0.00 175.35 176.60 3f1h s VAL 3 N -0.72 0.03 -0.50 3.17 -7.23 -1.13 -0.78 120.40 113.25 3f1h s VAL 3 Ca 0.41 -0.22 -0.14 0.00 -1.81 0.00 0.00 61.98 60.22 3f1h s VAL 3 Cb -0.24 -0.33 0.11 0.00 0.56 0.00 0.00 36.38 36.48 3f1h s VAL 3 CO 0.29 -0.12 0.42 -0.51 -0.31 0.00 0.00 175.10 174.86 3f1h s ILE 4 N -0.39 4.94 -0.13 -0.62 1.10 -0.61 -2.63 121.20 122.86 3f1h s ILE 4 Ca -0.05 -1.42 -0.21 0.00 -0.51 0.00 0.00 60.65 58.46 3f1h s ILE 4 Cb -0.03 -4.11 -0.03 0.00 0.15 0.00 0.00 42.46 38.44 3f1h s ILE 4 CO 0.01 -0.74 0.60 -1.48 -2.11 0.00 0.00 174.94 171.22 3f1h s LEU 5 N 1.55 4.24 -0.26 8.50 2.34 -1.24 0.21 118.68 134.02 3f1h s LEU 5 Ca 0.04 0.94 0.00 0.00 0.06 0.00 0.00 54.13 55.17 3f1h s LEU 5 Cb -0.27 -2.89 0.23 0.00 -0.56 0.00 0.00 46.19 42.70 3f1h s LEU 5 CO 0.03 -0.14 1.80 0.00 -1.06 0.00 0.00 176.35 176.99 3f1h n LEU 6 N 4.21 5.77 -3.64 1.48 -0.00 -1.09 -0.32 117.00 123.41 3f1h n LEU 6 Ca -0.03 -2.95 -0.08 0.00 -0.00 0.00 0.00 56.01 52.95 3f1h n LEU 6 Cb 0.51 -0.92 -0.07 0.00 -0.00 0.00 0.00 43.42 42.94 3f1h n LEU 6 CO 0.45 1.05 0.62 -0.70 -0.00 0.00 0.00 177.39 178.81 3f1h s GLU 7 N -1.59 0.55 0.50 1.47 2.56 -1.25 -4.92 118.70 116.03 3f1h s GLU 7 Ca 0.27 0.76 -0.22 0.00 0.00 0.00 0.00 54.97 55.78 3f1h s GLU 7 Cb 0.22 0.22 -0.06 0.00 2.00 0.00 0.00 34.13 36.50 3f1h s GLU 7 CO 0.01 -0.08 1.20 -1.25 -0.56 0.00 0.00 175.26 174.58 3f1h s PRO 8 N 0.70 3.48 -0.13 4.30 0.04 -1.26 -4.31 135.00 137.82 3f1h s PRO 8 Ca -0.02 1.85 -0.10 0.00 0.04 0.00 0.00 61.00 62.77 3f1h s PRO 8 Cb -0.05 -2.26 0.04 0.00 0.04 0.00 0.00 34.50 32.27 3f1h s PRO 8 CO -0.09 -0.80 0.33 -0.51 0.04 0.00 0.00 177.00 175.97 3f1h s LEU 9 N -3.36 0.54 0.09 -3.56 1.43 -0.10 -4.96 118.68 108.76 3f1h s LEU 9 Ca 0.68 0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 54.27 3f1h s LEU 9 Cb -0.30 1.12 -0.09 0.00 0.03 0.00 0.00 46.19 46.94 3f1h s LEU 9 CO 0.36 -0.14 1.60 -0.33 0.23 0.00 0.00 176.35 178.08 3f1h h GLU 10 N 6.11 0.29 0.62 1.70 4.39 -1.97 -3.03 114.58 122.69 3f1h h GLU 10 Ca -0.30 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 3f1h h GLU 10 Cb 1.18 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3f1h h GLU 10 CO 0.31 0.39 -0.41 -0.97 -1.16 0.00 0.00 179.01 177.16 3f1h h ASN 11 N 0.13 -1.07 0.00 1.42 -0.73 -2.03 -3.45 115.58 109.87 3f1h h ASN 11 Ca 0.06 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3f1h h ASN 11 Cb 0.21 0.32 0.00 0.00 0.27 0.00 0.00 38.32 39.12 3f1h h ASN 11 CO -0.00 -0.62 0.00 0.18 -0.37 0.00 0.00 177.43 176.62 3f1h n LEU 12 N -5.01 0.00 0.00 0.34 7.99 -1.15 -5.14 117.00 114.03 3f1h n LEU 12 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 3f1h n LEU 12 Cb 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 3f1h n LEU 12 CO 0.28 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.77 3f1h n GLY 13 N 4.84 3.77 3.91 -0.72 0.00 -1.18 -4.85 105.19 110.96 3f1h n GLY 13 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 3f1h n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1h s ASP 14 N 1.35 4.07 0.65 1.61 1.01 -1.26 -0.92 116.67 123.18 3f1h s ASP 14 Ca 0.00 0.61 -0.17 0.00 0.71 0.00 0.00 52.55 53.70 3f1h s ASP 14 Cb 0.00 -0.96 -0.03 0.00 1.01 0.00 0.00 42.92 42.94 3f1h s ASP 14 CO 0.00 -2.16 0.87 0.52 0.21 0.00 0.00 175.17 174.60 3f1h n VAL 15 N -3.45 3.15 -1.25 -1.27 0.31 -1.26 -2.98 118.33 111.58 3f1h n VAL 15 Ca 0.10 -0.45 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 3f1h n VAL 15 Cb 0.60 -1.04 -0.04 0.00 -0.91 0.00 0.00 33.84 32.46 3f1h n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f1h n GLY 16 N 1.34 0.88 3.79 2.92 0.00 0.56 -4.94 105.19 109.73 3f1h n GLY 16 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3f1h n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3f1h s GLN 17 N -2.75 4.14 -0.49 1.61 0.74 -1.16 -4.88 119.66 116.87 3f1h s GLN 17 Ca 0.00 0.55 -0.22 0.00 0.05 0.00 0.00 55.36 55.74 3f1h s GLN 17 Cb 0.00 -3.29 0.04 0.00 1.10 0.00 0.00 33.01 30.86 3f1h s GLN 17 CO 0.00 0.51 0.76 0.08 -0.55 0.00 0.00 175.29 176.10 3f1h s VAL 18 N -0.59 4.66 -0.04 1.34 1.01 -1.26 -3.65 120.40 121.88 3f1h s VAL 18 Ca 0.27 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3f1h s VAL 18 Cb -0.17 -4.36 0.01 0.00 0.00 0.00 0.00 36.38 31.86 3f1h s VAL 18 CO 0.15 -0.84 -0.07 0.54 0.00 0.00 0.00 175.10 174.88 3f1h s VAL 19 N 3.23 0.66 0.22 2.92 0.11 -1.08 -4.94 120.40 121.51 3f1h s VAL 19 Ca 0.25 -0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 58.86 3f1h s VAL 19 Cb -0.14 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 3f1h s VAL 19 CO 0.18 0.23 0.71 -1.81 -3.33 0.00 0.00 175.10 171.08 3f1h s ASP 20 N 0.53 7.03 0.00 3.54 1.11 -1.26 -2.84 116.67 124.79 3f1h s ASP 20 Ca -0.08 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.04 3f1h s ASP 20 Cb -0.11 -2.41 0.00 0.00 1.07 0.00 0.00 42.92 41.47 3f1h s ASP 20 CO 0.01 0.04 0.00 1.33 1.18 0.00 0.00 175.17 177.72 3f1h n VAL 21 N 0.72 0.00 -2.87 -1.27 0.24 0.24 -4.90 118.33 110.49 3f1h n VAL 21 Ca -0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.87 3f1h n VAL 21 Cb 0.51 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 3f1h n VAL 21 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3f1h s LYS 22 N -1.97 4.54 0.24 7.34 1.02 -1.26 -2.18 119.74 127.47 3f1h s LYS 22 Ca 0.00 1.20 -0.04 0.00 0.02 0.00 0.00 55.97 57.15 3f1h s LYS 22 Cb 0.00 -3.42 0.43 0.00 -0.52 0.00 0.00 37.83 34.33 3f1h s LYS 22 CO 0.00 0.12 1.77 -1.35 -0.92 0.00 0.00 175.35 174.97 3f1h h PRO 23 N 6.26 0.61 -0.33 -1.68 0.11 -1.98 -1.25 132.00 133.74 3f1h h PRO 23 Ca -0.42 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.69 3f1h h PRO 23 Cb 1.21 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 3f1h h PRO 23 CO 0.73 0.40 -0.41 0.78 -0.21 0.00 0.00 178.00 179.29 3f1h h GLY 24 N 0.63 -1.27 0.35 -0.55 0.00 -1.98 2.25 103.07 102.50 3f1h h GLY 24 Ca 0.41 0.76 0.20 0.00 0.00 0.00 0.00 47.33 48.70 3f1h h GLY 24 CO -0.31 -0.28 0.59 -1.82 0.00 0.00 0.00 176.54 174.71 3f1h h TYR 25 N -0.27 0.50 0.25 5.60 -0.00 -1.71 0.14 116.97 121.48 3f1h h TYR 25 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.79 3f1h h TYR 25 Cb 0.43 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 37.01 3f1h h TYR 25 CO -0.72 0.14 -0.12 0.00 -0.00 0.00 0.00 178.16 177.46 3f1h h ALA 26 N 1.61 -0.33 -0.16 1.82 0.00 0.10 -1.30 119.26 121.01 3f1h h ALA 26 Ca 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3f1h h ALA 26 Cb 1.16 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3f1h h ALA 26 CO -0.16 -0.41 0.01 0.00 0.00 0.00 0.00 179.25 178.69 3f1h h ARG 27 N -0.89 0.27 -0.04 0.00 3.08 0.46 -1.16 114.38 116.10 3f1h h ARG 27 Ca -0.03 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3f1h h ARG 27 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3f1h h ARG 27 CO 0.06 0.49 0.00 0.09 -1.07 0.00 0.00 179.97 179.53 3f1h n ASN 28 N -4.75 2.82 0.00 7.04 3.02 0.38 -4.45 115.26 119.33 3f1h n ASN 28 Ca -0.05 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3f1h n ASN 28 Cb 0.21 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3f1h n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f1h n TYR 29 N 1.20 -0.03 -0.03 3.10 9.36 -1.21 -4.88 117.16 124.68 3f1h n TYR 29 Ca 0.15 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.26 3f1h n TYR 29 Cb 0.57 0.11 -0.04 0.00 -0.63 0.00 0.00 39.34 39.35 3f1h n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3f1h h LEU 30 N 0.00 -1.15 0.75 2.98 3.38 -1.29 -1.24 115.31 118.74 3f1h h LEU 30 Ca 0.00 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3f1h h LEU 30 Cb 0.00 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3f1h h LEU 30 CO 0.00 -0.38 -0.41 0.25 0.09 0.00 0.00 178.44 177.99 3f1h h LEU 31 N -0.40 -1.02 -2.60 1.67 5.85 -1.43 -0.91 115.31 116.48 3f1h h LEU 31 Ca 0.11 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3f1h h LEU 31 Cb 0.57 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3f1h h LEU 31 CO -0.42 -0.67 0.03 -0.65 -0.34 0.00 0.00 178.44 176.40 3f1h h PRO 32 N -1.08 0.00 -0.01 5.25 0.11 -1.75 0.16 132.00 134.68 3f1h h PRO 32 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3f1h h PRO 32 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3f1h h PRO 32 CO 0.13 0.00 -0.41 0.54 -0.21 0.00 0.00 178.00 178.05 3f1h n ARG 33 N -3.57 0.57 -1.07 1.05 1.74 -0.48 -4.95 116.66 109.96 3f1h n ARG 33 Ca -0.02 -0.37 -0.03 0.00 -0.77 0.00 0.00 57.85 56.66 3f1h n ARG 33 Cb 0.11 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3f1h n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1h n GLY 34 N 1.41 0.52 0.00 -0.13 0.00 0.55 -4.87 105.19 102.67 3f1h n GLY 34 Ca 0.09 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3f1h n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f1h n LEU 35 N -0.29 0.00 -3.82 0.99 4.77 -0.83 -4.61 117.00 113.21 3f1h n LEU 35 Ca -0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 3f1h n LEU 35 Cb 0.22 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3f1h n LEU 35 CO 0.04 0.00 0.59 0.00 -1.33 0.00 0.00 177.39 176.69 3f1h s ALA 36 N -2.00 -0.94 0.05 -1.18 0.00 -1.24 -2.68 121.76 113.76 3f1h s ALA 36 Ca 0.42 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 3f1h s ALA 36 Cb 0.19 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 3f1h s ALA 36 CO 0.32 -1.00 -0.03 0.08 0.00 0.00 0.00 175.76 175.13 3f1h s VAL 37 N -2.31 0.20 -0.04 0.00 1.01 0.13 -4.67 120.40 114.73 3f1h s VAL 37 Ca 0.17 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.19 3f1h s VAL 37 Cb -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3f1h s VAL 37 CO 0.10 -0.91 1.32 -0.22 0.00 0.00 0.00 175.10 175.38 3f1h s LEU 38 N -2.68 4.29 -0.12 3.92 2.96 -1.26 -1.57 118.68 124.22 3f1h s LEU 38 Ca 0.03 1.96 -0.03 0.00 -0.22 0.00 0.00 54.13 55.87 3f1h s LEU 38 Cb 0.05 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.08 3f1h s LEU 38 CO -0.08 -0.68 1.80 0.00 -1.32 0.00 0.00 176.35 176.07 3f1h n ALA 39 N 5.48 3.32 -0.72 5.97 0.00 0.04 -4.74 120.51 129.86 3f1h n ALA 39 Ca 0.12 -0.88 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 3f1h n ALA 39 Cb 0.45 -2.38 0.20 0.00 0.00 0.00 0.00 19.45 17.71 3f1h n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3f1h s THR 40 N 2.46 2.16 0.37 0.00 -4.23 -1.26 -4.70 115.64 110.45 3f1h s THR 40 Ca 0.28 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.93 3f1h s THR 40 Cb 0.12 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.93 3f1h s THR 40 CO -0.00 -0.07 1.89 -0.08 -0.54 0.00 0.00 174.62 175.81 3f1h h GLU 41 N -2.15 0.24 -0.34 3.99 4.81 -1.99 -0.13 114.58 119.00 3f1h h GLU 41 Ca -0.52 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.50 3f1h h GLU 41 Cb 1.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 3f1h h GLU 41 CO 0.48 0.41 -0.36 0.77 -0.73 0.00 0.00 179.01 179.58 3f1h h SER 42 N 0.22 0.83 0.06 1.04 0.02 -1.95 -2.74 113.55 111.04 3f1h h SER 42 Ca 0.04 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3f1h h SER 42 Cb 0.43 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3f1h h SER 42 CO 0.03 1.10 -0.03 0.78 -1.14 0.00 0.00 176.83 177.57 3f1h h ASN 43 N 0.66 -0.06 -0.89 3.07 2.35 -1.80 -3.26 115.58 115.64 3f1h h ASN 43 Ca 0.06 -0.58 0.30 0.00 -0.55 0.00 0.00 56.30 55.53 3f1h h ASN 43 Cb 0.91 0.02 -0.16 0.00 0.05 0.00 0.00 38.32 39.13 3f1h h ASN 43 CO 0.08 0.64 0.22 0.18 -1.65 0.00 0.00 177.43 176.90 3f1h n LEU 44 N -4.78 0.08 0.18 1.61 4.77 -0.08 0.11 117.00 118.89 3f1h n LEU 44 Ca -0.08 1.50 0.05 0.00 -0.03 0.00 0.00 56.01 57.44 3f1h n LEU 44 Cb 0.31 -0.63 0.29 0.00 -2.33 0.00 0.00 43.42 41.07 3f1h n LEU 44 CO 0.27 -1.59 0.64 0.11 -1.33 0.00 0.00 177.39 175.50 3f1h h LYS 45 N 0.00 0.00 0.00 3.23 1.57 -1.56 -1.78 116.57 118.03 3f1h h LYS 45 Ca 0.64 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.32 3f1h h LYS 45 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 3f1h h LYS 45 CO -0.77 0.41 -0.44 0.00 -0.57 0.00 0.00 179.45 178.08 3f1h h ALA 46 N 1.59 0.88 -0.17 3.86 0.00 0.80 -2.76 119.26 123.46 3f1h h ALA 46 Ca -0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3f1h h ALA 46 Cb 0.97 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3f1h h ALA 46 CO 0.05 0.55 -0.58 1.25 0.00 0.00 0.00 179.25 180.52 3f1h h LEU 47 N 0.00 0.80 -1.40 0.00 5.85 -0.29 0.28 115.31 120.56 3f1h h LEU 47 Ca -0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3f1h h LEU 47 Cb 1.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3f1h h LEU 47 CO 0.06 1.27 0.40 -0.33 -0.34 0.00 0.00 178.44 179.49 3f1h h GLU 48 N 0.38 0.80 0.55 1.25 4.39 -1.46 -0.06 114.58 120.43 3f1h h GLU 48 Ca -0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3f1h h GLU 48 Cb 1.21 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3f1h h GLU 48 CO 0.12 0.53 -0.34 0.00 -1.16 0.00 0.00 179.01 178.16 3f1h h ALA 49 N 1.62 -0.86 -0.31 3.43 0.00 -1.11 0.25 119.26 122.28 3f1h h ALA 49 Ca 0.22 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3f1h h ALA 49 Cb -0.09 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3f1h h ALA 49 CO -0.05 -1.00 -0.35 -0.09 0.00 0.00 0.00 179.25 177.77 3f1h h ARG 50 N -0.85 -0.31 0.02 0.00 2.43 -0.44 -1.32 114.38 113.91 3f1h h ARG 50 Ca -0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3f1h h ARG 50 Cb 0.69 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3f1h h ARG 50 CO 0.07 -0.21 -0.15 0.82 -1.51 0.00 0.00 179.97 178.99 3f1h h ILE 51 N -0.32 0.00 -1.08 1.20 2.04 -0.70 -2.20 117.51 116.45 3f1h h ILE 51 Ca 0.14 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.29 3f1h h ILE 51 Cb 0.55 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 3f1h h ILE 51 CO -0.48 0.00 0.71 0.03 0.00 0.00 0.00 178.15 178.41 3f1h h ARG 52 N -0.21 0.28 0.00 2.37 -0.00 -0.38 -1.96 114.38 114.48 3f1h h ARG 52 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 3f1h h ARG 52 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.12 3f1h h ARG 52 CO -0.09 0.19 0.00 0.00 0.00 0.00 0.00 179.97 180.07 3f1h n ALA 53 N -2.53 -0.09 -0.28 0.04 0.00 -0.51 -1.85 120.51 115.28 3f1h n ALA 53 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.78 3f1h n ALA 53 Cb 0.99 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.66 3f1h n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3f1h h GLN 54 N 0.00 0.44 -0.34 0.00 4.15 -1.31 0.27 115.11 118.32 3f1h h GLN 54 Ca 0.00 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.43 3f1h h GLN 54 Cb 0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 3f1h h GLN 54 CO 0.00 0.29 0.11 0.00 -1.93 0.00 0.00 178.83 177.31 3f1h h ALA 55 N 1.60 0.39 0.00 3.38 0.00 -1.48 0.85 119.26 124.00 3f1h h ALA 55 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3f1h h ALA 55 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3f1h h ALA 55 CO -0.44 -0.28 0.00 1.17 0.00 0.00 0.00 179.25 179.70 3f1h n LYS 56 N -5.03 0.04 0.03 0.00 0.00 0.23 -0.58 118.16 112.86 3f1h n LYS 56 Ca 0.01 0.22 -0.21 0.00 0.00 0.00 0.00 58.31 58.33 3f1h n LYS 56 Cb 0.12 -1.57 -0.14 0.00 0.00 0.00 0.00 35.03 33.44 3f1h n LYS 56 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3f1h h ARG 57 N 0.00 0.27 -0.11 1.64 2.43 0.20 -3.14 114.38 115.66 3f1h h ARG 57 Ca 0.00 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3f1h h ARG 57 Cb 0.35 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3f1h h ARG 57 CO 0.00 1.22 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.60 3f1h h LEU 58 N -0.34 0.20 -1.51 3.80 3.38 0.11 -2.17 115.31 118.79 3f1h h LEU 58 Ca -0.23 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 3f1h h LEU 58 Cb 1.71 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 3f1h h LEU 58 CO 0.10 0.49 0.20 0.00 0.09 0.00 0.00 178.44 179.33 3f1h h ALA 59 N 0.72 1.63 -0.21 1.53 0.00 -1.02 -1.03 119.26 120.88 3f1h h ALA 59 Ca 0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3f1h h ALA 59 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3f1h h ALA 59 CO 0.01 0.31 -0.42 1.49 0.00 0.00 0.00 179.25 180.64 3f1h h GLU 60 N 0.54 0.50 0.03 0.00 4.81 -1.46 0.24 114.58 119.24 3f1h h GLU 60 Ca 0.14 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3f1h h GLU 60 Cb 0.03 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.42 3f1h h GLU 60 CO -0.02 0.83 -0.23 0.00 -0.73 0.00 0.00 179.01 178.86 3f1h h ARG 61 N 0.41 0.11 -0.02 1.92 3.08 -0.95 -3.14 114.38 115.79 3f1h h ARG 61 Ca 0.03 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3f1h h ARG 61 Cb 0.91 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 3f1h h ARG 61 CO 0.08 1.00 0.02 -0.22 -1.07 0.00 0.00 179.97 179.78 3f1h h LYS 62 N -0.71 0.00 -0.46 0.04 3.64 -1.21 0.60 116.57 118.47 3f1h h LYS 62 Ca -0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3f1h h LYS 62 Cb 1.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 3f1h h LYS 62 CO 0.04 0.00 0.23 0.00 -2.27 0.00 0.00 179.45 177.45 3f1h h ALA 63 N 1.98 1.54 -0.15 5.00 0.00 -0.48 -2.95 119.26 124.21 3f1h h ALA 63 Ca 0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3f1h h ALA 63 Cb 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3f1h h ALA 63 CO -0.00 0.37 -0.53 1.49 0.00 0.00 0.00 179.25 180.58 3f1h h GLU 64 N 0.64 0.62 -0.49 0.00 4.57 -0.83 -3.26 114.58 115.82 3f1h h GLU 64 Ca 0.16 -0.47 0.10 0.00 -1.18 0.00 0.00 59.36 57.97 3f1h h GLU 64 Cb 0.05 0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 28.63 3f1h h GLU 64 CO -0.02 1.09 -0.26 0.00 -1.18 0.00 0.00 179.01 178.64 3f1h h ALA 65 N 0.53 0.06 -0.91 2.92 0.00 -1.33 0.18 119.26 120.71 3f1h h ALA 65 Ca -0.02 0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.24 3f1h h ALA 65 Cb 1.16 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 19.45 3f1h h ALA 65 CO 0.11 -0.60 0.45 0.93 0.00 0.00 0.00 179.25 180.14 3f1h h GLU 66 N -0.15 0.51 0.32 0.00 3.07 -1.59 0.34 114.58 117.08 3f1h h GLU 66 Ca 0.22 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3f1h h GLU 66 Cb 0.50 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 3f1h h GLU 66 CO -0.58 0.34 -0.45 0.00 -1.40 0.00 0.00 179.01 176.92 3f1h h ARG 67 N 0.53 -0.79 -0.43 2.33 -0.00 -0.70 -0.86 114.38 114.46 3f1h h ARG 67 Ca 0.54 0.05 -0.12 0.00 -0.50 0.00 0.00 59.98 59.95 3f1h h ARG 67 Cb 0.94 0.18 -0.01 0.00 0.00 0.00 0.00 29.97 31.07 3f1h h ARG 67 CO -0.45 -0.53 -0.22 -0.07 0.00 0.00 0.00 179.97 178.70 3f1h h LEU 68 N -0.82 0.88 -1.70 3.04 3.38 -1.15 -1.17 115.31 117.77 3f1h h LEU 68 Ca -0.02 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.65 3f1h h LEU 68 Cb 0.76 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3f1h h LEU 68 CO -0.14 1.07 0.47 0.50 0.09 0.00 0.00 178.44 180.43 3f1h h LYS 69 N 0.75 0.00 0.07 1.13 1.63 -0.08 0.26 116.57 120.33 3f1h h LYS 69 Ca 0.10 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.57 3f1h h LYS 69 Cb 0.76 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 3f1h h LYS 69 CO 0.06 0.00 -1.86 0.39 -3.45 0.00 0.00 179.45 174.59 3f1h n GLU 70 N -2.99 0.70 -0.06 1.90 -0.58 -0.35 -3.79 120.64 115.46 3f1h n GLU 70 Ca 0.01 0.28 -0.07 0.00 -0.42 0.00 0.00 57.16 56.96 3f1h n GLU 70 Cb 0.54 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 3f1h n GLU 70 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3f1h h ILE 71 N 0.04 0.73 0.00 -3.67 6.09 -0.22 -2.99 117.51 117.48 3f1h h ILE 71 Ca -0.36 -1.58 0.00 0.00 -1.37 0.00 0.00 64.86 61.56 3f1h h ILE 71 Cb 2.03 1.40 0.00 0.00 0.47 0.00 0.00 36.82 40.72 3f1h h ILE 71 CO 0.09 0.25 0.00 -0.07 -3.07 0.00 0.00 178.15 175.34 3f1h h LEU 72 N -1.00 0.00 0.00 2.19 -0.00 -1.15 -3.02 115.31 112.33 3f1h h LEU 72 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 3f1h h LEU 72 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 3f1h h LEU 72 CO -0.01 0.00 -0.16 -0.08 -0.00 0.00 0.00 178.44 178.19 3f1h h GLU 73 N 0.00 0.10 -4.95 1.13 4.57 -1.67 -3.36 114.58 110.40 3f1h h GLU 73 Ca 0.00 -0.11 -0.72 0.00 -1.18 0.00 0.00 59.36 57.35 3f1h h GLU 73 Cb 0.50 0.03 -0.17 0.00 -0.16 0.00 0.00 28.75 28.96 3f1h h GLU 73 CO 0.00 0.88 1.27 -0.80 -1.18 0.00 0.00 179.01 179.18 3f1h s ASN 74 N -6.21 6.91 0.00 1.04 -0.87 -1.13 -4.89 114.94 109.79 3f1h s ASN 74 Ca -0.17 -2.63 0.00 0.00 -1.57 0.00 0.00 52.86 48.49 3f1h s ASN 74 Cb -0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 3f1h s ASN 74 CO 0.72 -0.89 0.00 -0.11 -2.57 0.00 0.00 177.10 174.25 3f1h n LEU 75 N 6.21 0.00 -3.84 0.60 7.94 -1.25 -4.84 117.00 121.81 3f1h n LEU 75 Ca 0.34 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 55.06 3f1h n LEU 75 Cb 0.45 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.24 3f1h n LEU 75 CO 0.60 0.00 -0.38 0.42 -1.11 0.00 0.00 177.39 176.92 3f1h s THR 76 N -2.00 0.28 -0.27 1.96 -4.23 -1.26 -3.90 115.64 106.22 3f1h s THR 76 Ca 0.00 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.27 3f1h s THR 76 Cb 0.00 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.49 3f1h s THR 76 CO 0.00 0.16 0.89 -0.76 -0.54 0.00 0.00 174.62 174.38 3f1h s LEU 77 N 0.94 4.06 -0.37 4.79 1.43 0.14 -4.92 118.68 124.74 3f1h s LEU 77 Ca -0.10 0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 3f1h s LEU 77 Cb -0.14 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3f1h s LEU 77 CO -0.01 -0.63 0.32 -0.89 0.23 0.00 0.00 176.35 175.37 3f1h s THR 78 N 3.07 5.22 -0.42 5.49 2.01 -1.26 0.20 115.64 129.95 3f1h s THR 78 Ca 0.37 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 3f1h s THR 78 Cb -0.14 -3.85 0.05 0.00 0.01 0.00 0.00 72.50 68.56 3f1h s THR 78 CO 0.10 -0.18 0.29 -0.63 -0.69 0.00 0.00 174.62 173.51 3f1h s ILE 79 N 1.84 4.86 -0.23 1.82 -1.09 -0.08 -4.94 121.20 123.38 3f1h s ILE 79 Ca 0.08 -0.98 -0.27 0.00 -2.23 0.00 0.00 60.65 57.25 3f1h s ILE 79 Cb -0.18 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 3f1h s ILE 79 CO 0.11 -0.41 0.97 -2.84 -1.23 0.00 0.00 174.94 171.54 3f1h s PRO 80 N 1.58 4.24 -0.10 2.79 0.02 -1.26 -1.80 135.00 140.47 3f1h s PRO 80 Ca 0.03 1.22 -0.07 0.00 0.02 0.00 0.00 61.00 62.20 3f1h s PRO 80 Cb -0.21 -3.64 0.04 0.00 0.02 0.00 0.00 34.50 30.71 3f1h s PRO 80 CO 0.07 -0.58 0.26 0.08 -0.33 0.00 0.00 177.00 176.49 3f1h s VAL 81 N 3.05 -0.02 0.16 3.83 1.01 -1.18 -4.98 120.40 122.26 3f1h s VAL 81 Ca 0.41 0.08 -0.34 0.00 0.00 0.00 0.00 61.98 62.13 3f1h s VAL 81 Cb -0.15 -0.38 -0.14 0.00 0.00 0.00 0.00 36.38 35.70 3f1h s VAL 81 CO 0.07 0.03 1.53 0.54 0.00 0.00 0.00 175.10 177.27 3f1h n ARG 82 N 3.68 2.00 -3.58 2.72 1.74 -1.26 -4.73 116.66 117.23 3f1h n ARG 82 Ca -0.20 0.72 -0.13 0.00 -0.77 0.00 0.00 57.85 57.47 3f1h n ARG 82 Cb 0.55 -2.46 -0.05 0.00 -1.02 0.00 0.00 32.46 29.48 3f1h n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f1h s ALA 83 N 0.78 -1.28 0.00 7.54 0.00 -1.26 -2.47 121.76 125.07 3f1h s ALA 83 Ca 0.79 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3f1h s ALA 83 Cb -0.72 0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3f1h s ALA 83 CO 0.40 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3f1h n GLY 84 N 0.29 -2.75 0.09 0.00 0.00 -0.09 -4.81 105.19 97.93 3f1h n GLY 84 Ca -0.18 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.45 3f1h n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f1h n GLU 85 N 0.00 0.62 0.02 1.61 -0.58 -1.26 -4.84 120.64 116.21 3f1h n GLU 85 Ca 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3f1h n GLU 85 Cb 0.00 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 3f1h n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3f1h n THR 86 N -2.68 0.00 -1.75 2.62 -1.04 -1.26 -4.96 114.28 105.22 3f1h n THR 86 Ca -0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 3f1h n THR 86 Cb 0.65 -0.05 -0.01 0.00 -1.82 0.00 0.00 70.33 69.11 3f1h n THR 86 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3f1h n LYS 87 N -2.60 2.53 -3.52 -2.82 4.81 -1.26 -1.68 118.16 113.62 3f1h n LYS 87 Ca 0.00 0.89 -0.37 0.00 -0.87 0.00 0.00 58.31 57.96 3f1h n LYS 87 Cb 0.00 -2.60 -0.06 0.00 0.02 0.00 0.00 35.03 32.39 3f1h n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3f1h s ILE 88 N -0.85 5.05 -0.42 3.15 -1.09 0.01 -0.91 121.20 126.13 3f1h s ILE 88 Ca 0.56 0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 59.44 3f1h s ILE 88 Cb -0.51 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 3f1h s ILE 88 CO 0.60 0.51 1.46 -0.31 -1.23 0.00 0.00 174.94 175.98 3f1h s TYR 89 N -1.16 2.31 0.00 3.97 2.02 -1.03 -4.71 117.35 118.75 3f1h s TYR 89 Ca 0.26 0.65 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 3f1h s TYR 89 Cb -0.16 -4.30 0.00 0.00 -0.40 0.00 0.00 41.96 37.10 3f1h s TYR 89 CO 0.14 -2.10 0.00 0.41 -1.57 0.00 0.00 175.55 172.43 3f1h n GLY 90 N 5.15 -1.11 3.25 0.71 0.00 -1.26 -4.69 105.19 107.24 3f1h n GLY 90 Ca 0.17 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 3f1h n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f1h s SER 91 N -4.00 -0.01 -0.43 1.61 0.15 -1.26 -4.82 113.70 104.93 3f1h s SER 91 Ca 0.00 -0.54 -0.19 0.00 0.70 0.00 0.00 55.95 55.93 3f1h s SER 91 Cb 0.00 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 3f1h s SER 91 CO 0.00 -0.78 0.52 0.54 1.20 0.00 0.00 173.24 174.72 3f1h s VAL 92 N -3.84 4.98 0.76 4.45 0.11 -0.95 -5.00 120.40 120.92 3f1h s VAL 92 Ca 0.05 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 3f1h s VAL 92 Cb 0.04 -4.12 0.15 0.00 -1.53 0.00 0.00 36.38 30.91 3f1h s VAL 92 CO -0.11 -0.52 1.05 0.42 -3.33 0.00 0.00 175.10 172.61 3f1h s THR 93 N 2.40 2.07 -0.01 5.04 -4.23 -1.26 -2.49 115.64 117.16 3f1h s THR 93 Ca 0.16 -0.53 -0.24 0.00 -1.18 0.00 0.00 61.69 59.90 3f1h s THR 93 Cb -0.16 -2.53 -0.17 0.00 1.34 0.00 0.00 72.50 70.98 3f1h s THR 93 CO 0.15 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.35 3f1h h ALA 94 N -0.71 -0.30 -1.63 3.99 0.00 -1.94 -0.78 119.26 117.90 3f1h h ALA 94 Ca -0.36 -0.20 0.47 0.00 0.00 0.00 0.00 54.91 54.82 3f1h h ALA 94 Cb 1.26 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 3f1h h ALA 94 CO 0.38 -0.44 1.25 -0.22 0.00 0.00 0.00 179.25 180.22 3f1h h LYS 95 N -0.76 0.00 0.07 0.00 3.64 -1.95 1.22 116.57 118.79 3f1h h LYS 95 Ca -0.03 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 3f1h h LYS 95 Cb 0.50 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3f1h h LYS 95 CO 0.05 0.00 -0.56 -0.44 -2.27 0.00 0.00 179.45 176.23 3f1h h ASP 96 N 0.00 0.23 -0.48 4.20 3.32 -1.87 -2.56 116.42 119.27 3f1h h ASP 96 Ca 0.77 -0.93 0.10 0.00 0.02 0.00 0.00 57.03 56.99 3f1h h ASP 96 Cb 3.26 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 42.64 3f1h h ASP 96 CO -0.01 1.26 -0.15 0.40 -1.72 0.00 0.00 179.24 179.01 3f1h h ILE 97 N -0.67 0.46 0.85 0.35 1.08 0.29 0.47 117.51 120.33 3f1h h ILE 97 Ca -0.11 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 3f1h h ILE 97 Cb 1.36 0.46 0.01 0.00 -3.07 0.00 0.00 36.82 35.58 3f1h h ILE 97 CO 0.06 0.00 -0.41 0.00 -0.69 0.00 0.00 178.15 177.11 3f1h h ALA 98 N 1.38 -1.14 0.00 1.87 0.00 -0.97 -1.14 119.26 119.26 3f1h h ALA 98 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f1h h ALA 98 Cb 0.39 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3f1h h ALA 98 CO -0.51 -1.08 0.00 -1.91 0.00 0.00 0.00 179.25 175.75 3f1h n GLU 99 N -5.54 0.00 -0.11 0.00 2.13 -0.96 -0.24 120.64 115.91 3f1h n GLU 99 Ca -0.15 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.47 3f1h n GLU 99 Cb 0.45 -1.49 -0.08 0.00 0.27 0.00 0.00 31.44 30.59 3f1h n GLU 99 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3f1h n ALA 100 N -0.98 0.93 -0.24 4.31 0.00 0.13 -4.21 120.51 120.45 3f1h n ALA 100 Ca 0.00 -0.79 0.16 0.00 0.00 0.00 0.00 53.44 52.80 3f1h n ALA 100 Cb 0.00 -0.09 0.46 0.00 0.00 0.00 0.00 19.45 19.82 3f1h n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3f1h h LEU 101 N -1.00 0.49 -1.39 0.00 5.85 0.61 0.57 115.31 120.44 3f1h h LEU 101 Ca -0.39 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 3f1h h LEU 101 Cb 1.27 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3f1h h LEU 101 CO -0.23 0.23 0.15 -1.28 -0.34 0.00 0.00 178.44 176.96 3f1h h SER 102 N 0.51 0.50 0.15 1.25 0.87 -0.46 -2.21 113.55 114.16 3f1h h SER 102 Ca 0.44 -0.05 -0.35 0.00 -1.23 0.00 0.00 61.79 60.60 3f1h h SER 102 Cb 0.95 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 3f1h h SER 102 CO -0.18 0.47 -2.17 0.54 -0.53 0.00 0.00 176.83 174.96 3f1h n ARG 103 N -4.37 0.68 0.00 2.24 1.74 -0.10 -1.77 116.66 115.08 3f1h n ARG 103 Ca 0.03 0.14 0.13 0.00 -0.77 0.00 0.00 57.85 57.38 3f1h n ARG 103 Cb 0.15 -1.62 0.46 0.00 -1.02 0.00 0.00 32.46 30.43 3f1h n ARG 103 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3f1h n GLN 104 N -3.03 0.25 0.00 5.56 7.27 0.00 -4.36 117.38 123.07 3f1h n GLN 104 Ca -0.31 -0.10 0.00 0.00 0.07 0.00 0.00 57.00 56.66 3f1h n GLN 104 Cb 1.08 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 32.23 3f1h n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3f1h n HIS 105 N -1.29 0.00 -0.75 3.69 8.25 -0.85 -5.01 115.22 119.26 3f1h n HIS 105 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3f1h n HIS 105 Cb 0.32 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3f1h n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1h n GLY 106 N 0.00 1.34 3.72 -1.41 0.00 -0.73 -5.00 105.19 103.11 3f1h n GLY 106 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3f1h n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f1h s ILE 107 N -3.57 4.31 -0.24 -0.61 1.10 -1.18 -4.86 121.20 116.14 3f1h s ILE 107 Ca 0.00 1.80 -0.07 0.00 -0.51 0.00 0.00 60.65 61.87 3f1h s ILE 107 Cb 0.00 -4.15 -0.03 0.00 0.15 0.00 0.00 42.46 38.43 3f1h s ILE 107 CO 0.00 0.22 0.05 -0.89 -2.11 0.00 0.00 174.94 172.21 3f1h s THR 108 N 0.43 4.20 -0.04 4.00 2.01 -1.26 -2.35 115.64 122.62 3f1h s THR 108 Ca 0.52 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.32 3f1h s THR 108 Cb -0.26 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3f1h s THR 108 CO 0.31 0.36 -0.08 0.27 -0.69 0.00 0.00 174.62 174.78 3f1h s ILE 109 N 1.52 0.79 -0.12 1.82 -0.00 -1.26 -5.10 121.20 118.85 3f1h s ILE 109 Ca 0.06 -0.31 -0.29 0.00 -0.00 0.00 0.00 60.65 60.11 3f1h s ILE 109 Cb -0.15 -0.74 -0.05 0.00 -0.00 0.00 0.00 42.46 41.52 3f1h s ILE 109 CO 0.03 0.27 1.79 -0.62 -0.00 0.00 0.00 174.94 176.41 3f1h s ASP 110 N 0.58 6.34 0.28 4.36 2.15 -1.26 -4.80 116.67 124.31 3f1h s ASP 110 Ca -0.10 2.06 0.00 0.00 0.43 0.00 0.00 52.55 54.94 3f1h s ASP 110 Cb -0.13 -2.53 0.51 0.00 -0.30 0.00 0.00 42.92 40.48 3f1h s ASP 110 CO 0.01 -1.23 1.84 1.55 -0.17 0.00 0.00 175.17 177.18 3f1h h PRO 111 N 11.01 0.97 -0.70 4.34 0.13 -1.96 -0.28 132.00 145.52 3f1h h PRO 111 Ca -0.40 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 64.75 3f1h h PRO 111 Cb 1.19 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 3f1h h PRO 111 CO 0.97 0.64 0.46 0.87 -0.23 0.00 0.00 178.00 180.71 3f1h h LYS 112 N 1.00 0.64 -2.00 0.86 1.57 -1.97 -2.85 116.57 113.82 3f1h h LYS 112 Ca 0.48 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 3f1h h LYS 112 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3f1h h LYS 112 CO -0.25 0.42 -0.06 0.54 -0.57 0.00 0.00 179.45 179.53 3f1h n ARG 113 N -4.48 1.14 -3.73 3.15 5.12 -0.11 -4.84 116.66 112.90 3f1h n ARG 113 Ca 0.11 -0.16 -0.14 0.00 -1.93 0.00 0.00 57.85 55.73 3f1h n ARG 113 Cb 0.28 -1.17 -0.08 0.00 -1.16 0.00 0.00 32.46 30.33 3f1h n ARG 113 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3f1h s LEU 114 N 0.00 0.67 -0.53 0.55 0.20 -1.08 -1.23 118.68 117.27 3f1h s LEU 114 Ca 0.11 0.12 -0.27 0.00 0.69 0.00 0.00 54.13 54.78 3f1h s LEU 114 Cb 0.05 1.44 0.03 0.00 -0.43 0.00 0.00 46.19 47.28 3f1h s LEU 114 CO 0.00 -0.49 1.07 0.00 -0.29 0.00 0.00 176.35 176.63 3f1h s ALA 115 N -1.50 3.12 -0.30 5.97 0.00 -1.00 -4.91 121.76 123.14 3f1h s ALA 115 Ca -0.12 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 3f1h s ALA 115 Cb -0.04 -3.85 0.18 0.00 0.00 0.00 0.00 23.12 19.41 3f1h s ALA 115 CO 0.04 -2.38 1.07 -1.17 0.00 0.00 0.00 175.76 173.32 3f1h s LEU 116 N 4.36 -0.37 -0.01 0.00 2.96 -1.26 -4.44 118.68 119.92 3f1h s LEU 116 Ca 0.40 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 3f1h s LEU 116 Cb -0.09 1.26 -0.01 0.00 0.50 0.00 0.00 46.19 47.85 3f1h s LEU 116 CO 0.26 -0.07 0.41 1.05 -1.32 0.00 0.00 176.35 176.67 3f1h h GLU 117 N 7.51 -0.08 -6.07 1.98 4.11 -2.04 -3.46 114.58 116.53 3f1h h GLU 117 Ca -0.10 0.01 -0.57 0.00 0.07 0.00 0.00 59.36 58.76 3f1h h GLU 117 Cb 1.17 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 3f1h h GLU 117 CO -0.12 -0.05 -0.50 -1.59 0.07 0.00 0.00 179.01 176.82 3f1h s LYS 118 N -1.98 3.28 0.40 1.06 0.00 -1.26 -5.08 119.74 116.17 3f1h s LYS 118 Ca -0.01 -0.64 -0.27 0.00 0.00 0.00 0.00 55.97 55.05 3f1h s LYS 118 Cb 0.00 -2.89 -0.10 0.00 0.00 0.00 0.00 37.83 34.84 3f1h s LYS 118 CO 0.04 0.53 1.41 -1.25 0.00 0.00 0.00 175.35 176.07 3f1h s PRO 119 N -3.02 3.98 -0.34 1.78 0.04 -1.26 -4.94 135.00 131.23 3f1h s PRO 119 Ca 0.33 2.40 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 3f1h s PRO 119 Cb -0.11 -2.84 -0.00 0.00 0.04 0.00 0.00 34.50 31.58 3f1h s PRO 119 CO 0.27 -0.57 1.49 0.42 0.04 0.00 0.00 177.00 178.65 3f1h s ILE 120 N -1.18 3.84 -1.53 0.56 1.09 -1.04 -4.85 121.20 118.10 3f1h s ILE 120 Ca 0.56 0.90 0.19 0.00 -1.10 0.00 0.00 60.65 61.19 3f1h s ILE 120 Cb -0.43 -4.02 0.56 0.00 -1.06 0.00 0.00 42.46 37.52 3f1h s ILE 120 CO 0.57 -0.56 1.47 1.17 -0.10 0.00 0.00 174.94 177.49 3f1h n LYS 121 N 7.91 2.91 -3.06 2.79 4.81 -1.26 -2.23 118.16 130.03 3f1h n LYS 121 Ca 0.18 -2.54 -0.20 0.00 -0.87 0.00 0.00 58.31 54.88 3f1h n LYS 121 Cb 0.47 -1.54 0.06 0.00 0.02 0.00 0.00 35.03 34.05 3f1h n LYS 121 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3f1h n GLU 122 N 1.22 0.60 -4.34 1.64 -0.58 -1.26 -0.81 120.64 117.11 3f1h n GLU 122 Ca 0.21 -3.19 -0.24 0.00 -0.42 0.00 0.00 57.16 53.52 3f1h n GLU 122 Cb 0.61 -0.20 -0.13 0.00 -0.57 0.00 0.00 31.44 31.15 3f1h n GLU 122 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3f1h s LEU 123 N 0.00 2.28 0.00 -4.62 0.20 -0.68 -4.64 118.68 111.23 3f1h s LEU 123 Ca 0.60 -0.66 0.00 0.00 0.69 0.00 0.00 54.13 54.76 3f1h s LEU 123 Cb -0.05 -0.90 0.00 0.00 -0.43 0.00 0.00 46.19 44.82 3f1h s LEU 123 CO 0.38 0.07 0.00 0.61 -0.29 0.00 0.00 176.35 177.12 3f1h n GLY 124 N 1.20 0.71 3.74 7.98 0.00 -1.22 -5.01 105.19 112.60 3f1h n GLY 124 Ca -0.19 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 3f1h n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3f1h s GLU 125 N -1.04 2.91 0.35 1.61 1.03 -1.26 -0.76 118.70 121.54 3f1h s GLU 125 Ca 0.00 -0.58 0.07 0.00 0.03 0.00 0.00 54.97 54.49 3f1h s GLU 125 Cb 0.00 -2.75 -0.03 0.00 -0.80 0.00 0.00 34.13 30.55 3f1h s GLU 125 CO 0.00 0.62 0.27 0.66 -1.33 0.00 0.00 175.26 175.48 3f1h n TYR 126 N 1.12 -0.67 -3.61 4.83 0.53 0.20 -4.96 117.16 114.60 3f1h n TYR 126 Ca -0.13 -2.81 -0.29 0.00 -1.02 0.00 0.00 57.90 53.65 3f1h n TYR 126 Cb 0.52 0.25 -0.16 0.00 -1.03 0.00 0.00 39.34 38.93 3f1h n TYR 126 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3f1h s VAL 127 N -3.33 0.18 0.34 -0.72 1.01 -1.26 -1.73 120.40 114.88 3f1h s VAL 127 Ca 0.37 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3f1h s VAL 127 Cb 0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 3f1h s VAL 127 CO 0.27 -0.58 0.64 -0.76 0.00 0.00 0.00 175.10 174.66 3f1h s LEU 128 N 1.98 3.97 -0.31 3.92 1.43 -0.84 -4.87 118.68 123.97 3f1h s LEU 128 Ca 0.07 0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 54.00 3f1h s LEU 128 Cb -0.16 -3.73 0.03 0.00 0.03 0.00 0.00 46.19 42.36 3f1h s LEU 128 CO -0.27 -0.28 0.06 -0.89 0.23 0.00 0.00 176.35 175.21 3f1h s THR 129 N -2.20 3.63 -0.04 5.49 2.01 -1.26 -1.05 115.64 122.21 3f1h s THR 129 Ca 0.47 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 3f1h s THR 129 Cb -0.11 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 3f1h s THR 129 CO 0.30 -0.02 0.80 -0.47 -0.69 0.00 0.00 174.62 174.54 3f1h s TYR 130 N 1.41 3.61 -0.86 4.92 5.04 -0.58 -2.36 117.35 128.53 3f1h s TYR 130 Ca -0.00 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 3f1h s TYR 130 Cb -0.18 -2.92 0.25 0.00 0.35 0.00 0.00 41.96 39.46 3f1h s TYR 130 CO 0.01 0.05 0.93 0.36 -1.34 0.00 0.00 175.55 175.57 3f1h n LYS 131 N 3.83 3.02 0.09 4.97 2.85 -0.36 -2.27 118.16 130.27 3f1h n LYS 131 Ca 0.01 -4.56 -0.08 0.00 -1.05 0.00 0.00 58.31 52.63 3f1h n LYS 131 Cb 0.51 -2.38 -0.01 0.00 -0.65 0.00 0.00 35.03 32.50 3f1h n LYS 131 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3f1h h PRO 132 N 5.27 0.18 -3.78 -1.58 0.11 -1.80 -3.44 132.00 126.96 3f1h h PRO 132 Ca 0.18 -0.20 -0.41 0.00 0.11 0.00 0.00 66.00 65.68 3f1h h PRO 132 Cb 0.71 0.06 -0.36 0.00 0.11 0.00 0.00 31.00 31.52 3f1h h PRO 132 CO 0.96 0.94 -0.76 -1.58 -0.21 0.00 0.00 178.00 177.35 3f1h s HIS 133 N -3.20 0.61 -1.34 0.65 5.65 -1.26 -5.02 115.29 111.38 3f1h s HIS 133 Ca -0.03 -0.14 0.00 0.00 0.25 0.00 0.00 55.06 55.15 3f1h s HIS 133 Cb 0.10 -0.68 0.00 0.00 -1.18 0.00 0.00 32.58 30.82 3f1h s HIS 133 CO 0.83 -0.25 0.07 -2.30 -0.65 0.00 0.00 174.74 172.44 3f1h n PRO 134 N 4.66 0.11 0.00 2.88 -0.02 -1.26 -0.19 135.00 141.18 3f1h n PRO 134 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3f1h n PRO 134 Cb 0.50 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3f1h n PRO 134 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3f1h n GLU 135 N 0.13 0.00 -3.41 -0.52 2.13 -1.26 -5.01 120.64 112.70 3f1h n GLU 135 Ca 0.00 -0.08 -0.21 0.00 0.66 0.00 0.00 57.16 57.54 3f1h n GLU 135 Cb 0.02 -0.49 -0.10 0.00 0.27 0.00 0.00 31.44 31.14 3f1h n GLU 135 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3f1h s VAL 136 N 0.00 -0.23 0.29 6.31 1.01 0.73 -5.14 120.40 123.37 3f1h s VAL 136 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 3f1h s VAL 136 Cb 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 3f1h s VAL 136 CO 0.00 -0.66 0.94 -2.84 0.00 0.00 0.00 175.10 172.55 3f1h s PRO 137 N 1.64 4.69 -0.15 2.72 0.02 -1.26 -4.15 135.00 138.52 3f1h s PRO 137 Ca 0.15 1.40 0.02 0.00 0.02 0.00 0.00 61.00 62.58 3f1h s PRO 137 Cb -0.17 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.38 3f1h s PRO 137 CO -0.13 0.37 -0.19 0.42 -0.33 0.00 0.00 177.00 177.15 3f1h s ILE 138 N -1.44 1.87 -0.55 2.83 1.01 -0.96 -5.00 121.20 118.96 3f1h s ILE 138 Ca 0.47 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 3f1h s ILE 138 Cb -0.22 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.59 3f1h s ILE 138 CO 0.27 0.51 1.22 -1.10 0.00 0.00 0.00 174.94 175.84 3f1h s GLN 139 N 1.07 3.53 -0.28 2.79 1.11 -1.26 -1.52 119.66 125.10 3f1h s GLN 139 Ca -0.02 0.36 -0.15 0.00 0.01 0.00 0.00 55.36 55.56 3f1h s GLN 139 Cb -0.14 -4.01 -0.03 0.00 -1.01 0.00 0.00 33.01 27.82 3f1h s GLN 139 CO -0.06 -1.66 0.40 -1.17 0.01 0.00 0.00 175.29 172.81 3f1h s LEU 140 N 5.03 4.11 -0.07 2.90 2.96 -0.22 -4.36 118.68 129.01 3f1h s LEU 140 Ca 0.46 0.23 -0.27 0.00 -0.22 0.00 0.00 54.13 54.33 3f1h s LEU 140 Cb -0.08 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 3f1h s LEU 140 CO 0.27 -0.23 0.85 -0.54 -1.32 0.00 0.00 176.35 175.38 3f1h s LYS 141 N 2.11 4.44 0.01 1.98 3.01 -1.25 -1.98 119.74 128.06 3f1h s LYS 141 Ca 0.15 1.14 0.02 0.00 -1.01 0.00 0.00 55.97 56.28 3f1h s LYS 141 Cb -0.16 -3.49 -0.01 0.00 -1.01 0.00 0.00 37.83 33.16 3f1h s LYS 141 CO 0.10 -0.11 -0.07 0.14 0.51 0.00 0.00 175.35 175.92 3f1h s VAL 142 N 1.33 0.54 -0.26 3.17 -7.23 -0.71 0.23 120.40 117.47 3f1h s VAL 142 Ca 0.43 -0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 60.07 3f1h s VAL 142 Cb -0.19 -0.49 0.09 0.00 0.56 0.00 0.00 36.38 36.35 3f1h s VAL 142 CO 0.20 0.01 0.11 -0.55 -0.31 0.00 0.00 175.10 174.55 3f1h s SER 143 N -0.55 3.29 0.51 4.85 0.15 0.54 0.61 113.70 123.11 3f1h s SER 143 Ca -0.01 -1.15 -0.13 0.00 0.70 0.00 0.00 55.95 55.37 3f1h s SER 143 Cb -0.04 -0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 63.78 3f1h s SER 143 CO 0.00 -0.40 0.93 -0.69 1.20 0.00 0.00 173.24 174.28 3f1h s VAL 144 N 2.02 4.67 0.00 4.45 1.01 0.07 -0.91 120.40 131.71 3f1h s VAL 144 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.95 3f1h s VAL 144 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3f1h s VAL 144 CO -0.27 -0.79 0.00 1.33 0.00 0.00 0.00 175.10 175.38