#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s LYS 2 N 0.00 3.97 -0.01 0.03 3.01 -1.26 -1.85 119.74 123.62 3f1f s LYS 2 Ca 0.00 -0.34 -0.05 0.00 -1.01 0.00 0.00 55.97 54.57 3f1f s LYS 2 Cb 0.00 -3.29 0.00 0.00 -1.01 0.00 0.00 37.83 33.54 3f1f s LYS 2 CO 0.00 0.20 0.10 0.14 0.51 0.00 0.00 175.35 176.30 3f1f s VAL 3 N 0.59 0.05 -0.29 3.17 -7.23 -1.18 -2.44 120.40 113.08 3f1f s VAL 3 Ca 0.04 -0.44 -0.06 0.00 -1.81 0.00 0.00 61.98 59.71 3f1f s VAL 3 Cb -0.13 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.53 3f1f s VAL 3 CO 0.01 -0.24 0.06 -0.51 -0.31 0.00 0.00 175.10 174.11 3f1f s ILE 4 N -0.79 3.81 0.14 -0.62 1.10 -0.11 -2.30 121.20 122.43 3f1f s ILE 4 Ca -0.09 -0.77 -0.18 0.00 -0.51 0.00 0.00 60.65 59.11 3f1f s ILE 4 Cb -0.05 -2.98 -0.07 0.00 0.15 0.00 0.00 42.46 39.51 3f1f s ILE 4 CO 0.01 0.08 0.61 -1.48 -2.11 0.00 0.00 174.94 172.04 3f1f s LEU 5 N 1.47 4.41 -0.63 8.50 2.34 -1.22 -1.08 118.68 132.47 3f1f s LEU 5 Ca 0.02 1.24 0.01 0.00 0.06 0.00 0.00 54.13 55.46 3f1f s LEU 5 Cb -0.17 -3.24 0.39 0.00 -0.56 0.00 0.00 46.19 42.62 3f1f s LEU 5 CO 0.02 0.14 1.60 0.00 -1.06 0.00 0.00 176.35 177.05 3f1f n LEU 6 N 1.09 6.24 0.00 1.48 -0.00 -1.05 -1.63 117.00 123.12 3f1f n LEU 6 Ca -0.06 -4.94 0.00 0.00 -0.00 0.00 0.00 56.01 51.01 3f1f n LEU 6 Cb 0.51 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 3f1f n LEU 6 CO 0.42 1.95 0.00 1.21 -0.00 0.00 0.00 177.39 180.98 3f1f n GLU 7 N -0.56 0.00 -2.36 1.47 4.07 -1.25 -4.90 120.64 117.11 3f1f n GLU 7 Ca 0.48 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 57.17 3f1f n GLU 7 Cb 0.49 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.84 3f1f n GLU 7 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3f1f s PRO 8 N -0.32 4.51 -0.04 5.31 0.04 -1.26 -4.44 135.00 138.80 3f1f s PRO 8 Ca 0.00 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 3f1f s PRO 8 Cb 0.00 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.37 3f1f s PRO 8 CO 0.00 -0.03 0.06 -0.51 0.04 0.00 0.00 177.00 176.56 3f1f s LEU 9 N -0.76 0.66 0.50 -3.56 1.43 -0.91 -4.98 118.68 111.06 3f1f s LEU 9 Ca 0.50 0.10 0.31 0.00 -1.03 0.00 0.00 54.13 54.01 3f1f s LEU 9 Cb -0.34 -0.02 1.42 0.00 0.03 0.00 0.00 46.19 47.28 3f1f s LEU 9 CO 0.40 -0.18 1.81 -0.33 0.23 0.00 0.00 176.35 178.28 3f1f h GLU 10 N 7.73 0.10 0.00 1.70 4.39 -1.96 -0.74 114.58 125.80 3f1f h GLU 10 Ca -0.33 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3f1f h GLU 10 Cb 1.12 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3f1f h GLU 10 CO 0.35 0.07 0.00 -1.71 -1.16 0.00 0.00 179.01 176.55 3f1f n ASN 11 N -4.31 0.00 -0.08 1.42 2.85 -1.26 -4.62 115.26 109.26 3f1f n ASN 11 Ca 0.24 0.49 -0.22 0.00 -0.11 0.00 0.00 54.58 54.98 3f1f n ASN 11 Cb 1.10 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 42.00 3f1f n ASN 11 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3f1f n LEU 12 N -0.62 2.17 0.00 1.20 7.99 -0.79 -5.10 117.00 121.86 3f1f n LEU 12 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 3f1f n LEU 12 Cb 0.00 -1.00 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 3f1f n LEU 12 CO 0.00 0.53 0.00 0.61 -1.51 0.00 0.00 177.39 177.02 3f1f n GLY 13 N 1.63 -0.88 3.75 -0.72 0.00 -0.35 -4.99 105.19 103.62 3f1f n GLY 13 Ca -0.35 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 3f1f n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1f s ASP 14 N -1.47 4.51 1.06 1.61 1.01 -1.26 -2.15 116.67 119.98 3f1f s ASP 14 Ca 0.00 2.09 -0.15 0.00 0.71 0.00 0.00 52.55 55.20 3f1f s ASP 14 Cb 0.00 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.48 3f1f s ASP 14 CO 0.00 -2.04 0.33 0.52 0.21 0.00 0.00 175.17 174.20 3f1f n VAL 15 N -2.88 0.00 -0.61 -1.27 0.31 -1.26 -3.12 118.33 109.49 3f1f n VAL 15 Ca 0.11 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3f1f n VAL 15 Cb 0.52 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3f1f n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f1f n GLY 16 N 1.62 0.45 3.23 2.92 0.00 -0.65 -4.97 105.19 107.80 3f1f n GLY 16 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3f1f n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f1f n GLN 17 N -2.00 -1.61 -3.41 1.61 6.02 -1.18 -4.89 117.38 111.92 3f1f n GLN 17 Ca 0.00 -1.70 -0.14 0.00 -0.01 0.00 0.00 57.00 55.15 3f1f n GLN 17 Cb 0.00 -1.24 -0.10 0.00 1.02 0.00 0.00 30.24 29.92 3f1f n GLN 17 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3f1f s VAL 18 N -3.28 -0.46 0.07 5.09 1.01 -1.26 -3.44 120.40 118.13 3f1f s VAL 18 Ca 0.64 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3f1f s VAL 18 Cb -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3f1f s VAL 18 CO 0.46 -0.27 -0.13 0.54 0.00 0.00 0.00 175.10 175.71 3f1f s VAL 19 N 2.42 1.01 -0.04 2.92 0.11 -0.97 -4.94 120.40 120.91 3f1f s VAL 19 Ca 0.10 -1.34 -0.30 0.00 -2.93 0.00 0.00 61.98 57.51 3f1f s VAL 19 Cb -0.15 -1.06 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 3f1f s VAL 19 CO -0.21 -0.31 0.99 -1.81 -3.33 0.00 0.00 175.10 170.43 3f1f s ASP 20 N -1.85 7.32 0.11 3.54 1.11 -1.25 -3.10 116.67 122.55 3f1f s ASP 20 Ca -0.02 1.61 0.03 0.00 0.18 0.00 0.00 52.55 54.35 3f1f s ASP 20 Cb -0.09 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 3f1f s ASP 20 CO 0.02 -0.33 -0.08 0.68 1.18 0.00 0.00 175.17 176.64 3f1f s VAL 21 N 1.37 0.87 0.38 -1.27 -7.23 -0.77 -4.90 120.40 108.85 3f1f s VAL 21 Ca 0.50 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.52 3f1f s VAL 21 Cb -0.20 -1.62 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 3f1f s VAL 21 CO 0.24 -0.76 1.39 -0.54 -0.31 0.00 0.00 175.10 175.13 3f1f s LYS 22 N -3.52 4.12 0.30 4.82 1.02 -1.26 0.84 119.74 126.05 3f1f s LYS 22 Ca 0.11 2.38 0.04 0.00 0.02 0.00 0.00 55.97 58.52 3f1f s LYS 22 Cb 0.02 -2.93 0.68 0.00 -0.52 0.00 0.00 37.83 35.08 3f1f s LYS 22 CO -0.02 -0.45 1.80 -1.35 -0.92 0.00 0.00 175.35 174.41 3f1f h PRO 23 N 2.99 0.82 -0.05 -1.68 0.11 -2.00 -2.46 132.00 129.74 3f1f h PRO 23 Ca -0.50 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.58 3f1f h PRO 23 Cb 1.24 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3f1f h PRO 23 CO 0.64 0.54 -0.31 0.78 -0.21 0.00 0.00 178.00 179.44 3f1f h GLY 24 N 0.85 -1.28 -1.06 -0.55 0.00 -1.98 0.48 103.07 99.54 3f1f h GLY 24 Ca 0.55 0.66 0.43 0.00 0.00 0.00 0.00 47.33 48.97 3f1f h GLY 24 CO -0.34 -0.36 0.71 -1.82 0.00 0.00 0.00 176.54 174.73 3f1f h TYR 25 N -0.36 0.69 0.00 5.60 -0.00 -1.81 0.16 116.97 121.25 3f1f h TYR 25 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.78 3f1f h TYR 25 Cb 0.40 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 36.97 3f1f h TYR 25 CO -0.50 -0.33 0.00 0.00 -0.00 0.00 0.00 178.16 177.33 3f1f n ALA 26 N -2.39 -0.17 -0.27 1.82 0.00 0.10 -0.31 120.51 119.28 3f1f n ALA 26 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.90 3f1f n ALA 26 Cb 1.36 0.00 0.21 0.00 0.00 0.00 0.00 19.45 21.02 3f1f n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1f h ARG 27 N 0.00 0.17 -0.38 0.00 3.08 0.88 -0.51 114.38 117.62 3f1f h ARG 27 Ca 0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 3f1f h ARG 27 Cb 0.00 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 29.91 3f1f h ARG 27 CO 0.00 0.11 -0.02 0.09 -1.07 0.00 0.00 179.97 179.08 3f1f n ASN 28 N -5.27 2.83 0.00 7.04 3.02 0.46 -4.55 115.26 118.79 3f1f n ASN 28 Ca 0.17 -3.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 3f1f n ASN 28 Cb 0.55 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3f1f n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f1f n TYR 29 N -1.01 0.00 -0.21 3.10 9.36 -1.15 -4.96 117.16 122.29 3f1f n TYR 29 Ca 0.33 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.56 3f1f n TYR 29 Cb 1.05 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.88 3f1f n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3f1f h LEU 30 N 0.00 0.16 -0.13 2.98 3.38 -0.71 -0.44 115.31 120.56 3f1f h LEU 30 Ca 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3f1f h LEU 30 Cb 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3f1f h LEU 30 CO 0.00 0.09 -0.05 0.25 0.09 0.00 0.00 178.44 178.82 3f1f h LEU 31 N 0.37 0.26 0.09 1.67 5.85 -1.25 -0.85 115.31 121.45 3f1f h LEU 31 Ca 0.33 -0.39 -0.28 0.00 0.84 0.00 0.00 57.88 58.38 3f1f h LEU 31 Cb 0.45 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.42 3f1f h LEU 31 CO -0.36 0.60 -1.22 -0.65 -0.34 0.00 0.00 178.44 176.47 3f1f h PRO 32 N -0.08 0.34 0.00 5.25 0.11 -1.70 -2.70 132.00 133.23 3f1f h PRO 32 Ca 0.03 -0.54 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3f1f h PRO 32 Cb 0.49 0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 3f1f h PRO 32 CO 0.02 1.24 -0.07 0.00 -0.21 0.00 0.00 178.00 178.97 3f1f h ARG 33 N 0.12 0.00 0.00 1.05 3.08 -1.17 -3.46 114.38 114.00 3f1f h ARG 33 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3f1f h ARG 33 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.98 3f1f h ARG 33 CO 0.21 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 3f1f n GLY 34 N -0.82 0.68 0.12 0.04 0.00 -0.84 -4.92 105.19 99.46 3f1f n GLY 34 Ca -0.02 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3f1f n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f1f n LEU 35 N 0.00 0.67 -3.89 0.99 4.77 -0.38 -4.67 117.00 114.49 3f1f n LEU 35 Ca 0.00 0.65 -0.08 0.00 -0.03 0.00 0.00 56.01 56.56 3f1f n LEU 35 Cb 0.00 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 3f1f n LEU 35 CO 0.00 -0.51 0.40 0.00 -1.33 0.00 0.00 177.39 175.95 3f1f s ALA 36 N -3.29 -0.98 -0.03 -1.18 0.00 -0.98 -2.54 121.76 112.76 3f1f s ALA 36 Ca 0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 3f1f s ALA 36 Cb 0.10 0.90 0.01 0.00 0.00 0.00 0.00 23.12 24.13 3f1f s ALA 36 CO 0.41 -0.99 0.13 0.08 0.00 0.00 0.00 175.76 175.39 3f1f s VAL 37 N -3.94 0.03 -0.20 0.00 1.01 -0.24 -4.22 120.40 112.84 3f1f s VAL 37 Ca 0.14 -0.21 -0.35 0.00 0.00 0.00 0.00 61.98 61.56 3f1f s VAL 37 Cb -0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 36.38 35.97 3f1f s VAL 37 CO 0.07 -0.11 1.99 -0.11 0.00 0.00 0.00 175.10 176.93 3f1f n LEU 38 N 2.58 2.95 -2.19 3.92 7.94 -1.26 -0.93 117.00 130.01 3f1f n LEU 38 Ca -0.15 0.75 -0.15 0.00 -1.11 0.00 0.00 56.01 55.35 3f1f n LEU 38 Cb 0.58 -1.33 -0.15 0.00 0.53 0.00 0.00 43.42 43.05 3f1f n LEU 38 CO 0.21 -0.34 1.82 0.00 -1.11 0.00 0.00 177.39 177.97 3f1f n ALA 39 N 7.90 6.38 -0.54 1.96 0.00 -1.02 -4.77 120.51 130.41 3f1f n ALA 39 Ca 0.29 -2.00 -0.27 0.00 0.00 0.00 0.00 53.44 51.46 3f1f n ALA 39 Cb 0.27 -2.46 0.19 0.00 0.00 0.00 0.00 19.45 17.46 3f1f n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f1f n THR 40 N 2.66 0.00 -0.06 0.00 -2.24 -1.26 -4.56 114.28 108.82 3f1f n THR 40 Ca 0.46 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.96 3f1f n THR 40 Cb 0.80 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 3f1f n THR 40 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3f1f h GLU 41 N -2.56 0.12 -0.81 -0.78 4.81 -2.00 -2.44 114.58 110.92 3f1f h GLU 41 Ca -0.44 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 58.92 3f1f h GLU 41 Cb 1.18 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.44 3f1f h GLU 41 CO 0.31 0.08 0.39 0.77 -0.73 0.00 0.00 179.01 179.83 3f1f h SER 42 N 0.13 0.45 0.04 1.04 0.02 -1.97 -2.71 113.55 110.54 3f1f h SER 42 Ca 0.11 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3f1f h SER 42 Cb 0.12 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3f1f h SER 42 CO -0.16 0.18 -0.02 0.78 -1.14 0.00 0.00 176.83 176.47 3f1f h ASN 43 N 0.56 -0.05 -0.97 3.07 4.21 -1.81 0.12 115.58 120.72 3f1f h ASN 43 Ca 0.44 -0.48 0.32 0.00 1.21 0.00 0.00 56.30 57.79 3f1f h ASN 43 Cb 0.64 0.01 -0.16 0.00 -1.12 0.00 0.00 38.32 37.69 3f1f h ASN 43 CO -0.37 0.48 0.41 -0.07 -1.29 0.00 0.00 177.43 176.58 3f1f h LEU 44 N -0.59 0.21 0.20 1.61 3.38 -1.31 0.31 115.31 119.11 3f1f h LEU 44 Ca -0.01 0.22 -0.32 0.00 0.09 0.00 0.00 57.88 57.87 3f1f h LEU 44 Cb 0.53 0.25 0.03 0.00 0.09 0.00 0.00 40.66 41.56 3f1f h LEU 44 CO 0.01 -0.26 -1.38 0.11 0.09 0.00 0.00 178.44 177.01 3f1f h LYS 45 N 0.16 0.51 0.00 1.13 1.57 -1.31 -2.53 116.57 116.10 3f1f h LYS 45 Ca 0.71 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3f1f h LYS 45 Cb 1.65 0.30 0.00 0.00 0.08 0.00 0.00 32.23 34.26 3f1f h LYS 45 CO -0.71 1.38 0.03 0.00 -0.57 0.00 0.00 179.45 179.59 3f1f n ALA 46 N -2.67 1.00 -0.03 3.86 0.00 0.42 -0.61 120.51 122.47 3f1f n ALA 46 Ca -0.14 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 3f1f n ALA 46 Cb 1.06 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.12 3f1f n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3f1f n LEU 47 N -2.21 0.88 0.26 0.00 7.94 0.84 -2.83 117.00 121.87 3f1f n LEU 47 Ca -0.01 0.33 -0.17 0.00 -1.11 0.00 0.00 56.01 55.05 3f1f n LEU 47 Cb 0.06 0.13 -0.08 0.00 0.53 0.00 0.00 43.42 44.06 3f1f n LEU 47 CO 0.09 0.44 0.60 -0.33 -1.11 0.00 0.00 177.39 177.08 3f1f h GLU 48 N 0.00 -0.81 -0.47 1.96 4.39 -0.44 -1.00 114.58 118.21 3f1f h GLU 48 Ca -0.34 0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.50 3f1f h GLU 48 Cb 2.05 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 30.79 3f1f h GLU 48 CO 0.07 -0.54 -0.39 0.00 -1.16 0.00 0.00 179.01 176.99 3f1f h ALA 49 N -0.48 -0.29 -0.27 3.43 0.00 -1.45 0.35 119.26 120.55 3f1f h ALA 49 Ca -0.04 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3f1f h ALA 49 Cb 0.74 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3f1f h ALA 49 CO -0.04 -0.80 0.22 -0.09 0.00 0.00 0.00 179.25 178.54 3f1f h ARG 50 N -0.26 0.00 0.00 0.00 1.12 -1.34 0.11 114.38 114.00 3f1f h ARG 50 Ca 0.17 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.04 3f1f h ARG 50 Cb 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 3f1f h ARG 50 CO -0.61 0.00 0.00 -0.89 -3.11 0.00 0.00 179.97 175.36 3f1f n ILE 51 N -4.21 0.00 -0.34 1.20 5.41 0.21 -3.93 119.36 117.71 3f1f n ILE 51 Ca 0.04 0.43 0.19 0.00 1.00 0.00 0.00 62.75 64.41 3f1f n ILE 51 Cb 0.37 -1.30 0.37 0.00 -0.71 0.00 0.00 39.64 38.37 3f1f n ILE 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3f1f n ARG 52 N -1.86 -0.07 0.11 0.38 3.00 0.10 0.89 116.66 119.21 3f1f n ARG 52 Ca 0.00 1.45 -0.14 0.00 -0.01 0.00 0.00 57.85 59.16 3f1f n ARG 52 Cb 0.00 -2.39 -0.07 0.00 0.00 0.00 0.00 32.46 30.01 3f1f n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3f1f h ALA 53 N 1.98 -0.65 0.00 7.54 0.00 -0.97 -0.91 119.26 126.26 3f1f h ALA 53 Ca 0.67 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.41 3f1f h ALA 53 Cb 1.51 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 3f1f h ALA 53 CO -0.89 -0.93 -0.52 0.37 0.00 0.00 0.00 179.25 177.29 3f1f h GLN 54 N -0.60 0.00 0.52 0.00 4.15 -1.02 -2.68 115.11 115.48 3f1f h GLN 54 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3f1f h GLN 54 Cb 0.63 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.33 3f1f h GLN 54 CO -0.22 0.48 -0.25 0.00 -1.93 0.00 0.00 178.83 176.92 3f1f h ALA 55 N 1.51 -1.07 0.00 3.38 0.00 0.97 -0.74 119.26 123.31 3f1f h ALA 55 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3f1f h ALA 55 Cb 1.38 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3f1f h ALA 55 CO 0.06 -1.02 -0.05 -0.22 0.00 0.00 0.00 179.25 178.03 3f1f h LYS 56 N -0.76 0.00 0.58 0.00 3.11 -1.33 -3.09 116.57 115.07 3f1f h LYS 56 Ca -0.07 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 3f1f h LYS 56 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 3f1f h LYS 56 CO 0.12 0.05 -0.43 -0.09 -2.81 0.00 0.00 179.45 176.28 3f1f h ARG 57 N 0.00 -0.95 -0.85 1.90 2.43 -1.12 -0.34 114.38 115.45 3f1f h ARG 57 Ca -0.00 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3f1f h ARG 57 Cb 0.08 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3f1f h ARG 57 CO 0.01 -0.63 0.56 -0.07 -1.51 0.00 0.00 179.97 178.32 3f1f h LEU 58 N -0.98 0.94 -1.23 3.80 3.38 -1.09 -1.46 115.31 118.66 3f1f h LEU 58 Ca -0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3f1f h LEU 58 Cb 0.82 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3f1f h LEU 58 CO 0.02 0.65 0.09 0.00 0.09 0.00 0.00 178.44 179.30 3f1f h ALA 59 N 1.34 1.39 0.00 1.53 0.00 -1.44 0.95 119.26 123.03 3f1f h ALA 59 Ca 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3f1f h ALA 59 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3f1f h ALA 59 CO -0.10 0.44 -0.17 1.49 0.00 0.00 0.00 179.25 180.91 3f1f h GLU 60 N 0.60 0.00 0.03 0.00 4.81 -0.16 -0.74 114.58 119.13 3f1f h GLU 60 Ca 0.14 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3f1f h GLU 60 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3f1f h GLU 60 CO -0.00 0.17 -0.02 0.00 -0.73 0.00 0.00 179.01 178.44 3f1f h ARG 61 N 0.00 -0.04 -1.13 1.92 3.08 -0.37 -3.15 114.38 114.69 3f1f h ARG 61 Ca -0.00 0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.38 3f1f h ARG 61 Cb 0.91 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 3f1f h ARG 61 CO 0.02 0.53 0.96 -0.22 -1.07 0.00 0.00 179.97 180.19 3f1f h LYS 62 N -0.96 0.00 0.17 0.04 3.64 -0.82 0.39 116.57 119.03 3f1f h LYS 62 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3f1f h LYS 62 Cb 0.60 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3f1f h LYS 62 CO 0.01 0.00 -0.17 0.00 -2.27 0.00 0.00 179.45 177.02 3f1f h ALA 63 N 1.14 -0.88 0.00 5.00 0.00 -1.09 -0.83 119.26 122.60 3f1f h ALA 63 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3f1f h ALA 63 Cb 2.45 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.65 3f1f h ALA 63 CO -0.01 -0.89 0.00 -1.91 0.00 0.00 0.00 179.25 176.44 3f1f n GLU 64 N -3.32 0.11 -0.11 0.00 4.07 0.13 -1.25 120.64 120.26 3f1f n GLU 64 Ca -0.04 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.83 3f1f n GLU 64 Cb 0.15 -1.09 -0.11 0.00 -0.06 0.00 0.00 31.44 30.34 3f1f n GLU 64 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3f1f n ALA 65 N -0.59 0.89 0.59 4.31 0.00 -0.37 -3.63 120.51 121.71 3f1f n ALA 65 Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 53.44 52.84 3f1f n ALA 65 Cb 0.00 -0.33 0.32 0.00 0.00 0.00 0.00 19.45 19.44 3f1f n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3f1f n GLU 66 N -4.39 0.16 -0.03 0.00 4.71 -0.38 0.34 120.64 121.05 3f1f n GLU 66 Ca -0.37 0.18 -0.16 0.00 -0.01 0.00 0.00 57.16 56.80 3f1f n GLU 66 Cb 0.72 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.52 3f1f n GLU 66 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3f1f h ARG 67 N 0.00 0.10 0.15 3.49 -0.00 -1.59 -3.25 114.38 113.28 3f1f h ARG 67 Ca 0.00 -0.16 -0.30 0.00 -0.50 0.00 0.00 59.98 59.02 3f1f h ARG 67 Cb 0.13 0.06 0.03 0.00 0.00 0.00 0.00 29.97 30.19 3f1f h ARG 67 CO 0.00 1.04 -1.28 -0.07 0.00 0.00 0.00 179.97 179.66 3f1f h LEU 68 N -0.75 0.78 -1.53 3.04 3.38 -1.52 -3.21 115.31 115.50 3f1f h LEU 68 Ca -0.04 -0.75 0.26 0.00 0.09 0.00 0.00 57.88 57.43 3f1f h LEU 68 Cb 1.16 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 3f1f h LEU 68 CO 0.05 1.57 0.67 0.50 0.09 0.00 0.00 178.44 181.31 3f1f h LYS 69 N 0.21 0.31 0.20 1.13 1.63 -0.26 0.88 116.57 120.67 3f1f h LYS 69 Ca -0.19 -0.02 -0.28 0.00 -0.85 0.00 0.00 60.65 59.31 3f1f h LYS 69 Cb 1.96 -0.07 0.03 0.00 -0.60 0.00 0.00 32.23 33.55 3f1f h LYS 69 CO 0.24 0.21 -1.29 0.93 -3.45 0.00 0.00 179.45 176.09 3f1f h GLU 70 N 0.32 0.42 -0.20 1.90 4.39 -1.63 -3.09 114.58 116.70 3f1f h GLU 70 Ca 0.54 -0.72 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 3f1f h GLU 70 Cb 1.51 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 3f1f h GLU 70 CO -0.21 1.34 -0.06 0.97 -1.16 0.00 0.00 179.01 179.89 3f1f h ILE 71 N -0.07 1.29 0.00 3.13 6.09 -1.14 -3.14 117.51 123.67 3f1f h ILE 71 Ca -0.24 -1.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.18 3f1f h ILE 71 Cb 1.95 1.59 0.00 0.00 0.47 0.00 0.00 36.82 40.83 3f1f h ILE 71 CO 0.20 0.33 0.00 -0.07 -3.07 0.00 0.00 178.15 175.54 3f1f h LEU 72 N 0.11 0.00 0.16 2.19 -0.00 0.57 -3.01 115.31 115.34 3f1f h LEU 72 Ca 0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.61 3f1f h LEU 72 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.19 3f1f h LEU 72 CO 0.02 0.00 -1.59 -0.08 -0.00 0.00 0.00 178.44 176.79 3f1f h GLU 73 N 0.00 0.34 -1.95 1.13 4.57 -1.54 -3.36 114.58 113.77 3f1f h GLU 73 Ca 0.00 -0.59 -0.48 0.00 -1.18 0.00 0.00 59.36 57.11 3f1f h GLU 73 Cb 0.32 0.22 -0.17 0.00 -0.16 0.00 0.00 28.75 28.95 3f1f h GLU 73 CO 0.00 1.28 0.38 0.09 -1.18 0.00 0.00 179.01 179.58 3f1f n ASN 74 N -3.74 6.46 -3.57 1.04 3.02 -1.14 -4.88 115.26 112.45 3f1f n ASN 74 Ca -0.24 -3.19 -0.11 0.00 -0.03 0.00 0.00 54.58 51.01 3f1f n ASN 74 Cb 1.00 -1.22 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 3f1f n ASN 74 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3f1f s LEU 75 N -2.13 -0.39 -0.04 3.41 2.96 -1.25 -5.02 118.68 116.23 3f1f s LEU 75 Ca 0.57 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 3f1f s LEU 75 Cb 0.37 1.91 0.02 0.00 0.50 0.00 0.00 46.19 48.98 3f1f s LEU 75 CO -0.20 -0.36 -0.06 0.42 -1.32 0.00 0.00 176.35 174.83 3f1f s THR 76 N -1.11 0.66 -0.77 3.68 -4.23 -1.26 -4.09 115.64 108.52 3f1f s THR 76 Ca -0.02 -0.22 -0.24 0.00 -1.18 0.00 0.00 61.69 60.02 3f1f s THR 76 Cb -0.00 -0.64 0.06 0.00 1.34 0.00 0.00 72.50 73.25 3f1f s THR 76 CO 0.02 0.24 1.18 -0.76 -0.54 0.00 0.00 174.62 174.76 3f1f s LEU 77 N 0.68 3.83 -0.13 4.79 1.43 -0.34 -4.89 118.68 124.06 3f1f s LEU 77 Ca -0.10 -0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 51.77 3f1f s LEU 77 Cb -0.13 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3f1f s LEU 77 CO 0.01 -1.58 1.63 -0.89 0.23 0.00 0.00 176.35 175.75 3f1f s THR 78 N 4.75 3.66 -0.61 5.49 2.01 -1.26 -1.06 115.64 128.62 3f1f s THR 78 Ca 0.32 0.77 -0.04 0.00 0.31 0.00 0.00 61.69 63.05 3f1f s THR 78 Cb -0.10 -3.57 0.16 0.00 0.01 0.00 0.00 72.50 69.00 3f1f s THR 78 CO 0.08 -0.15 0.43 -0.63 -0.69 0.00 0.00 174.62 173.66 3f1f s ILE 79 N 4.54 3.79 -0.51 1.82 -1.09 0.16 -4.91 121.20 124.99 3f1f s ILE 79 Ca 0.72 -2.80 -0.28 0.00 -2.23 0.00 0.00 60.65 56.06 3f1f s ILE 79 Cb -0.29 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 3f1f s ILE 79 CO 0.28 -0.86 1.28 -2.84 -1.23 0.00 0.00 174.94 171.57 3f1f s PRO 80 N 0.12 3.53 -0.14 2.79 0.02 -1.26 -1.55 135.00 138.51 3f1f s PRO 80 Ca 0.16 0.53 -0.07 0.00 0.02 0.00 0.00 61.00 61.63 3f1f s PRO 80 Cb -0.20 -4.01 0.05 0.00 0.02 0.00 0.00 34.50 30.36 3f1f s PRO 80 CO -0.04 -1.64 0.33 0.08 -0.33 0.00 0.00 177.00 175.40 3f1f s VAL 81 N 5.19 -0.05 0.45 3.83 1.01 -0.65 -4.96 120.40 125.22 3f1f s VAL 81 Ca 0.50 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 3f1f s VAL 81 Cb -0.09 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.68 3f1f s VAL 81 CO 0.29 0.05 -0.23 0.54 0.00 0.00 0.00 175.10 175.75 3f1f n ARG 82 N 4.29 0.00 -3.53 2.72 1.74 -1.26 -4.50 116.66 116.13 3f1f n ARG 82 Ca -0.24 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.75 3f1f n ARG 82 Cb 0.54 -0.70 -0.03 0.00 -1.02 0.00 0.00 32.46 31.25 3f1f n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f1f s ALA 83 N -1.39 -1.87 0.00 7.54 0.00 -1.26 -2.79 121.76 121.99 3f1f s ALA 83 Ca 0.36 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3f1f s ALA 83 Cb -0.28 0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3f1f s ALA 83 CO 0.50 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3f1f n GLY 84 N 0.04 -2.71 0.30 0.00 0.00 0.65 -4.77 105.19 98.69 3f1f n GLY 84 Ca -0.09 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.54 3f1f n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f1f n GLU 85 N 0.00 0.47 0.03 1.61 -0.58 -1.26 -4.85 120.64 116.06 3f1f n GLU 85 Ca 0.00 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.83 3f1f n GLU 85 Cb 0.00 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3f1f n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3f1f n THR 86 N 0.34 0.00 -1.72 2.62 -1.04 -1.26 -5.05 114.28 108.16 3f1f n THR 86 Ca 0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 3f1f n THR 86 Cb 0.20 -0.15 0.09 0.00 -1.82 0.00 0.00 70.33 68.64 3f1f n THR 86 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3f1f s LYS 87 N -2.00 2.11 -0.07 -2.82 2.20 -1.26 -0.24 119.74 117.66 3f1f s LYS 87 Ca 0.00 0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 3f1f s LYS 87 Cb 0.00 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.34 3f1f s LYS 87 CO 0.00 -1.55 0.14 0.42 -0.36 0.00 0.00 175.35 174.00 3f1f s ILE 88 N -3.33 5.36 -0.75 5.43 -1.09 0.48 -0.26 121.20 127.04 3f1f s ILE 88 Ca 0.61 0.02 -0.26 0.00 -2.23 0.00 0.00 60.65 58.79 3f1f s ILE 88 Cb -0.13 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3f1f s ILE 88 CO 0.52 0.50 1.84 -0.31 -1.23 0.00 0.00 174.94 176.27 3f1f s TYR 89 N -1.13 1.79 0.00 3.97 2.02 -1.12 -4.70 117.35 118.18 3f1f s TYR 89 Ca 0.19 0.61 0.00 0.00 -0.37 0.00 0.00 57.07 57.51 3f1f s TYR 89 Cb -0.12 -4.13 0.00 0.00 -0.40 0.00 0.00 41.96 37.31 3f1f s TYR 89 CO 0.09 -2.07 0.00 0.41 -1.57 0.00 0.00 175.55 172.42 3f1f n GLY 90 N 6.18 0.61 3.51 0.71 0.00 -1.26 -4.82 105.19 110.11 3f1f n GLY 90 Ca 0.28 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 3f1f n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f1f s SER 91 N -4.00 -0.64 -0.20 1.61 0.15 -1.26 -4.81 113.70 104.54 3f1f s SER 91 Ca 0.00 0.62 -0.05 0.00 0.70 0.00 0.00 55.95 57.23 3f1f s SER 91 Cb 0.00 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 3f1f s SER 91 CO 0.00 -0.65 -0.02 0.54 1.20 0.00 0.00 173.24 174.31 3f1f s VAL 92 N -1.51 3.79 0.34 4.45 0.11 -0.88 -4.99 120.40 121.70 3f1f s VAL 92 Ca -0.09 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 3f1f s VAL 92 Cb -0.00 -2.71 0.04 0.00 -1.53 0.00 0.00 36.38 32.18 3f1f s VAL 92 CO 0.07 0.43 0.35 0.35 -3.33 0.00 0.00 175.10 172.97 3f1f n THR 93 N 4.32 0.00 -0.10 5.04 -2.24 -1.26 -1.24 114.28 118.80 3f1f n THR 93 Ca -0.17 -1.26 -0.08 0.00 -2.27 0.00 0.00 64.05 60.27 3f1f n THR 93 Cb 0.52 -0.42 0.08 0.00 -2.10 0.00 0.00 70.33 68.41 3f1f n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f1f h ALA 94 N 0.52 0.87 -0.78 6.98 0.00 -1.93 0.79 119.26 125.71 3f1f h ALA 94 Ca -0.19 -0.37 0.14 0.00 0.00 0.00 0.00 54.91 54.49 3f1f h ALA 94 Cb 0.77 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3f1f h ALA 94 CO 0.29 0.63 0.35 -0.22 0.00 0.00 0.00 179.25 180.31 3f1f h LYS 95 N 0.71 0.51 0.04 0.00 3.64 -1.95 0.94 116.57 120.46 3f1f h LYS 95 Ca 0.10 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3f1f h LYS 95 Cb 0.72 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3f1f h LYS 95 CO 0.06 0.34 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.12 3f1f h ASP 96 N 0.53 -0.04 -1.43 4.20 3.32 -1.90 -1.38 116.42 119.72 3f1f h ASP 96 Ca 0.42 -0.61 0.44 0.00 0.02 0.00 0.00 57.03 57.30 3f1f h ASP 96 Cb 0.59 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 3f1f h ASP 96 CO -0.37 0.62 0.97 0.40 -1.72 0.00 0.00 179.24 179.14 3f1f h ILE 97 N -0.75 0.17 0.01 0.35 1.08 -0.15 0.07 117.51 118.30 3f1f h ILE 97 Ca -0.01 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 3f1f h ILE 97 Cb 0.65 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3f1f h ILE 97 CO 0.01 0.01 -0.11 0.00 -0.69 0.00 0.00 178.15 177.37 3f1f h ALA 98 N 1.44 0.00 -0.43 1.87 0.00 0.12 -3.11 119.26 119.15 3f1f h ALA 98 Ca 0.79 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3f1f h ALA 98 Cb 2.71 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.52 3f1f h ALA 98 CO -0.25 0.06 -0.05 1.49 0.00 0.00 0.00 179.25 180.50 3f1f h GLU 99 N -0.95 0.79 -0.84 0.00 4.81 -0.33 0.11 114.58 118.17 3f1f h GLU 99 Ca -0.02 -0.28 0.11 0.00 -0.13 0.00 0.00 59.36 59.04 3f1f h GLU 99 Cb 1.06 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.31 3f1f h GLU 99 CO 0.00 0.88 0.47 0.00 -0.73 0.00 0.00 179.01 179.64 3f1f h ALA 100 N 0.88 1.23 -0.07 2.92 0.00 -1.18 0.24 119.26 123.27 3f1f h ALA 100 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3f1f h ALA 100 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3f1f h ALA 100 CO 0.03 0.05 0.01 1.25 0.00 0.00 0.00 179.25 180.59 3f1f h LEU 101 N 0.75 0.11 -1.23 0.00 5.85 -1.32 0.60 115.31 120.07 3f1f h LEU 101 Ca 0.42 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3f1f h LEU 101 Cb 0.46 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3f1f h LEU 101 CO -0.28 0.33 0.00 -1.28 -0.34 0.00 0.00 178.44 176.86 3f1f h SER 102 N -0.11 0.00 0.00 1.25 0.87 0.08 -2.32 113.55 113.31 3f1f h SER 102 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3f1f h SER 102 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3f1f h SER 102 CO 0.00 0.00 -0.71 0.54 -0.53 0.00 0.00 176.83 176.13 3f1f n ARG 103 N -2.60 0.46 0.00 2.24 1.74 0.76 -2.08 116.66 117.19 3f1f n ARG 103 Ca 0.01 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 3f1f n ARG 103 Cb 0.22 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3f1f n ARG 103 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3f1f n GLN 104 N -4.42 0.00 0.04 5.56 7.27 0.21 -3.69 117.38 122.35 3f1f n GLN 104 Ca -0.10 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.28 3f1f n GLN 104 Cb 0.37 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.32 3f1f n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3f1f n HIS 105 N -1.31 -1.51 0.00 3.69 8.25 -0.89 -5.04 115.22 118.41 3f1f n HIS 105 Ca -0.00 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3f1f n HIS 105 Cb 0.19 0.84 0.00 0.00 1.12 0.00 0.00 29.99 32.14 3f1f n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1f n GLY 106 N 0.42 1.10 3.66 -1.41 0.00 -0.88 -5.03 105.19 103.05 3f1f n GLY 106 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3f1f n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f1f s ILE 107 N -2.00 4.05 0.10 -0.61 1.10 -1.25 -4.87 121.20 117.71 3f1f s ILE 107 Ca 0.00 1.26 -0.14 0.00 -0.51 0.00 0.00 60.65 61.25 3f1f s ILE 107 Cb 0.00 -3.85 -0.06 0.00 0.15 0.00 0.00 42.46 38.70 3f1f s ILE 107 CO 0.00 -0.15 0.50 -0.89 -2.11 0.00 0.00 174.94 172.29 3f1f s THR 108 N 3.82 4.91 -0.18 4.00 2.01 -1.26 -3.17 115.64 125.78 3f1f s THR 108 Ca 0.61 0.82 -0.15 0.00 0.31 0.00 0.00 61.69 63.28 3f1f s THR 108 Cb -0.25 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.57 3f1f s THR 108 CO 0.20 0.36 0.46 0.27 -0.69 0.00 0.00 174.62 175.23 3f1f s ILE 109 N -1.32 -0.00 0.09 1.82 -0.00 -1.26 -5.07 121.20 115.45 3f1f s ILE 109 Ca 0.33 0.01 -0.31 0.00 -0.00 0.00 0.00 60.65 60.68 3f1f s ILE 109 Cb -0.16 -0.65 -0.09 0.00 -0.00 0.00 0.00 42.46 41.56 3f1f s ILE 109 CO 0.18 0.01 1.69 -0.62 -0.00 0.00 0.00 174.94 176.19 3f1f s ASP 110 N 0.44 6.56 0.28 4.36 2.15 -1.26 -4.89 116.67 124.31 3f1f s ASP 110 Ca -0.02 2.57 -0.02 0.00 0.43 0.00 0.00 52.55 55.51 3f1f s ASP 110 Cb -0.04 -2.57 0.41 0.00 -0.30 0.00 0.00 42.92 40.42 3f1f s ASP 110 CO -0.02 -0.91 1.87 1.55 -0.17 0.00 0.00 175.17 177.50 3f1f h PRO 111 N 8.21 0.94 -0.32 4.34 0.13 -1.97 -3.14 132.00 140.18 3f1f h PRO 111 Ca -0.43 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 64.46 3f1f h PRO 111 Cb 1.21 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3f1f h PRO 111 CO 0.93 0.75 -0.18 0.87 -0.23 0.00 0.00 178.00 180.14 3f1f h LYS 112 N 0.93 0.69 -2.15 0.86 1.57 -1.94 -3.14 116.57 113.38 3f1f h LYS 112 Ca 0.22 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3f1f h LYS 112 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3f1f h LYS 112 CO -0.02 0.91 0.04 0.54 -0.57 0.00 0.00 179.45 180.34 3f1f n ARG 113 N -4.34 0.50 -3.59 3.15 5.12 -1.19 -4.54 116.66 111.77 3f1f n ARG 113 Ca -0.03 -0.10 -0.18 0.00 -1.93 0.00 0.00 57.85 55.61 3f1f n ARG 113 Cb 0.40 -1.40 -0.15 0.00 -1.16 0.00 0.00 32.46 30.16 3f1f n ARG 113 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3f1f s LEU 114 N 0.00 -0.07 -0.37 0.55 0.20 -1.19 -0.59 118.68 117.22 3f1f s LEU 114 Ca 0.07 0.05 -0.29 0.00 0.69 0.00 0.00 54.13 54.65 3f1f s LEU 114 Cb 0.03 0.30 0.00 0.00 -0.43 0.00 0.00 46.19 46.10 3f1f s LEU 114 CO 0.00 -0.29 1.44 0.00 -0.29 0.00 0.00 176.35 177.22 3f1f s ALA 115 N 2.30 3.11 -0.30 5.97 0.00 -0.02 -4.92 121.76 127.90 3f1f s ALA 115 Ca 0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 3f1f s ALA 115 Cb -0.14 -3.91 0.18 0.00 0.00 0.00 0.00 23.12 19.25 3f1f s ALA 115 CO -0.09 -2.26 0.99 -1.17 0.00 0.00 0.00 175.76 173.23 3f1f s LEU 116 N 5.34 -0.59 0.00 0.00 2.96 -1.26 -4.22 118.68 120.91 3f1f s LEU 116 Ca 0.63 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 3f1f s LEU 116 Cb -0.16 1.50 0.00 0.00 0.50 0.00 0.00 46.19 48.04 3f1f s LEU 116 CO 0.31 -0.11 0.00 -1.84 -1.32 0.00 0.00 176.35 173.39 3f1f n GLU 117 N 5.44 0.00 -2.46 1.98 0.28 -1.26 -4.85 120.64 119.76 3f1f n GLU 117 Ca -0.06 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.55 3f1f n GLU 117 Cb 0.53 -0.08 -0.04 0.00 1.43 0.00 0.00 31.44 33.28 3f1f n GLU 117 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3f1f s LYS 118 N 0.00 4.32 0.68 3.44 0.00 -1.26 -4.98 119.74 121.94 3f1f s LYS 118 Ca 0.00 1.69 -0.17 0.00 0.00 0.00 0.00 55.97 57.50 3f1f s LYS 118 Cb 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 37.83 34.99 3f1f s LYS 118 CO 0.00 -0.04 0.86 -0.35 0.00 0.00 0.00 175.35 175.82 3f1f n PRO 119 N 0.44 0.58 -2.29 1.78 -0.04 -1.26 -4.91 135.00 129.30 3f1f n PRO 119 Ca 0.02 0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 3f1f n PRO 119 Cb 0.47 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.79 3f1f n PRO 119 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3f1f s ILE 120 N -1.74 3.46 0.00 0.52 1.09 -0.37 -4.87 121.20 119.30 3f1f s ILE 120 Ca 0.73 1.17 0.00 0.00 -1.10 0.00 0.00 60.65 61.44 3f1f s ILE 120 Cb -0.37 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 3f1f s ILE 120 CO 0.51 0.16 0.14 1.17 -0.10 0.00 0.00 174.94 176.81 3f1f n LYS 121 N 2.94 1.06 -2.71 2.79 4.81 -1.26 -2.08 118.16 123.72 3f1f n LYS 121 Ca 0.07 -0.14 -0.31 0.00 -0.87 0.00 0.00 58.31 57.05 3f1f n LYS 121 Cb 0.44 -0.53 -0.04 0.00 0.02 0.00 0.00 35.03 34.92 3f1f n LYS 121 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3f1f s GLU 122 N -0.19 3.87 -0.02 1.64 0.41 -1.26 -0.39 118.70 122.76 3f1f s GLU 122 Ca 0.00 0.69 -0.13 0.00 -0.41 0.00 0.00 54.97 55.12 3f1f s GLU 122 Cb 0.00 -2.29 -0.05 0.00 -1.78 0.00 0.00 34.13 30.00 3f1f s GLU 122 CO 0.00 -0.11 0.34 -1.17 -0.49 0.00 0.00 175.26 173.83 3f1f s LEU 123 N -3.84 4.45 0.00 1.80 0.20 0.67 -4.73 118.68 117.23 3f1f s LEU 123 Ca 0.55 0.84 0.00 0.00 0.69 0.00 0.00 54.13 56.20 3f1f s LEU 123 Cb -0.10 -2.48 0.00 0.00 -0.43 0.00 0.00 46.19 43.18 3f1f s LEU 123 CO 0.30 0.34 0.00 0.61 -0.29 0.00 0.00 176.35 177.30 3f1f n GLY 124 N 1.81 -0.20 2.97 7.98 0.00 -1.22 -4.99 105.19 111.55 3f1f n GLY 124 Ca -0.15 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 3f1f n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3f1f s GLU 125 N -2.00 1.02 0.47 1.61 1.03 -1.26 -0.43 118.70 119.13 3f1f s GLU 125 Ca 0.00 -0.26 0.03 0.00 0.03 0.00 0.00 54.97 54.77 3f1f s GLU 125 Cb 0.00 -0.94 -0.01 0.00 -0.80 0.00 0.00 34.13 32.38 3f1f s GLU 125 CO 0.00 0.04 0.10 0.71 -1.33 0.00 0.00 175.26 174.78 3f1f s TYR 126 N 0.46 1.77 -0.30 4.83 1.51 -1.15 -4.93 117.35 119.54 3f1f s TYR 126 Ca -0.07 -1.24 -0.03 0.00 -1.01 0.00 0.00 57.07 54.72 3f1f s TYR 126 Cb -0.11 -1.30 0.11 0.00 -0.11 0.00 0.00 41.96 40.55 3f1f s TYR 126 CO 0.01 -0.17 0.15 0.08 -1.11 0.00 0.00 175.55 174.51 3f1f s VAL 127 N -3.07 -0.06 0.22 0.71 1.01 -1.25 -0.83 120.40 117.13 3f1f s VAL 127 Ca 0.14 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 3f1f s VAL 127 Cb 0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 3f1f s VAL 127 CO 0.10 -0.76 0.55 -0.76 0.00 0.00 0.00 175.10 174.23 3f1f s LEU 128 N 1.97 4.19 -0.34 3.92 1.43 -0.49 -4.74 118.68 124.62 3f1f s LEU 128 Ca 0.10 0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 53.99 3f1f s LEU 128 Cb -0.17 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 3f1f s LEU 128 CO -0.32 -0.05 0.39 -0.89 0.23 0.00 0.00 176.35 175.72 3f1f s THR 129 N -1.77 5.14 0.28 5.49 2.01 -1.26 -0.89 115.64 124.64 3f1f s THR 129 Ca 0.46 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.54 3f1f s THR 129 Cb -0.12 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3f1f s THR 129 CO 0.21 -0.11 0.53 -0.47 -0.69 0.00 0.00 174.62 174.09 3f1f s TYR 130 N 2.09 3.48 -0.35 4.92 5.04 -0.32 -0.84 117.35 131.37 3f1f s TYR 130 Ca 0.13 0.61 0.07 0.00 -2.44 0.00 0.00 57.07 55.43 3f1f s TYR 130 Cb -0.16 -2.07 0.19 0.00 0.35 0.00 0.00 41.96 40.26 3f1f s TYR 130 CO 0.12 0.20 0.59 -1.59 -1.34 0.00 0.00 175.55 173.52 3f1f s LYS 131 N -3.52 0.67 0.22 4.97 -2.85 0.24 -1.67 119.74 117.82 3f1f s LYS 131 Ca 0.43 0.09 0.22 0.00 -1.00 0.00 0.00 55.97 55.71 3f1f s LYS 131 Cb -0.11 0.10 0.03 0.00 -2.06 0.00 0.00 37.83 35.80 3f1f s LYS 131 CO 0.30 -1.12 1.10 -1.35 0.10 0.00 0.00 175.35 174.38 3f1f h PRO 132 N 7.51 0.00 -3.69 1.78 0.11 -1.81 -3.44 132.00 132.46 3f1f h PRO 132 Ca 0.02 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.85 3f1f h PRO 132 Cb 1.18 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.97 3f1f h PRO 132 CO 0.14 0.05 -0.73 -1.58 -0.21 0.00 0.00 178.00 175.67 3f1f s HIS 133 N -3.28 0.09 -1.32 0.65 5.65 -1.26 -5.01 115.29 110.81 3f1f s HIS 133 Ca 0.00 0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.36 3f1f s HIS 133 Cb 0.09 -0.17 0.00 0.00 -1.18 0.00 0.00 32.58 31.31 3f1f s HIS 133 CO 0.78 -0.05 0.26 -2.30 -0.65 0.00 0.00 174.74 172.77 3f1f n PRO 134 N 3.65 0.39 -0.02 2.88 -0.02 -1.26 -0.95 135.00 139.68 3f1f n PRO 134 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3f1f n PRO 134 Cb 0.55 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 3f1f n PRO 134 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3f1f n GLU 135 N 0.04 0.00 -3.24 -0.52 2.13 -1.26 -4.96 120.64 112.83 3f1f n GLU 135 Ca 0.00 -0.31 -0.25 0.00 0.66 0.00 0.00 57.16 57.26 3f1f n GLU 135 Cb 0.07 -0.30 -0.07 0.00 0.27 0.00 0.00 31.44 31.40 3f1f n GLU 135 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3f1f n VAL 136 N 0.00 -0.34 -2.47 6.31 0.31 -0.12 -5.12 118.33 116.89 3f1f n VAL 136 Ca 0.00 -4.12 -0.34 0.00 -0.01 0.00 0.00 64.34 59.87 3f1f n VAL 136 Cb 0.50 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 3f1f n VAL 136 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3f1f s PRO 137 N -1.24 3.76 -0.12 5.55 0.02 -1.26 -4.35 135.00 137.36 3f1f s PRO 137 Ca 0.35 1.29 -0.03 0.00 0.02 0.00 0.00 61.00 62.64 3f1f s PRO 137 Cb 0.15 -2.09 0.04 0.00 0.02 0.00 0.00 34.50 32.63 3f1f s PRO 137 CO -0.11 -0.46 0.05 0.42 -0.33 0.00 0.00 177.00 176.58 3f1f s ILE 138 N -2.12 0.12 -0.53 2.83 1.01 -0.67 -4.98 121.20 116.87 3f1f s ILE 138 Ca 0.66 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 3f1f s ILE 138 Cb -0.15 -0.53 0.03 0.00 0.01 0.00 0.00 42.46 41.81 3f1f s ILE 138 CO 0.23 -0.02 1.20 -1.10 0.00 0.00 0.00 174.94 175.25 3f1f s GLN 139 N 2.06 3.58 -0.36 2.79 1.11 -1.26 -1.17 119.66 126.40 3f1f s GLN 139 Ca 0.03 0.41 -0.17 0.00 0.01 0.00 0.00 55.36 55.64 3f1f s GLN 139 Cb -0.14 -3.98 -0.00 0.00 -1.01 0.00 0.00 33.01 27.87 3f1f s GLN 139 CO -0.06 -1.59 0.43 -1.17 0.01 0.00 0.00 175.29 172.90 3f1f s LEU 140 N 4.88 4.48 0.39 2.90 2.96 -0.07 -4.62 118.68 129.60 3f1f s LEU 140 Ca 0.46 -0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 53.89 3f1f s LEU 140 Cb -0.08 -2.43 -0.09 0.00 0.50 0.00 0.00 46.19 44.09 3f1f s LEU 140 CO 0.28 -0.43 1.02 -0.54 -1.32 0.00 0.00 176.35 175.36 3f1f s LYS 141 N 2.17 4.26 0.34 1.98 3.01 -1.26 -1.40 119.74 128.84 3f1f s LYS 141 Ca 0.14 1.43 -0.05 0.00 -1.01 0.00 0.00 55.97 56.48 3f1f s LYS 141 Cb -0.16 -2.56 0.01 0.00 -1.01 0.00 0.00 37.83 34.11 3f1f s LYS 141 CO 0.13 -0.04 0.50 0.14 0.51 0.00 0.00 175.35 176.58 3f1f s VAL 142 N -1.71 0.00 -0.35 3.17 -7.23 -0.01 -1.20 120.40 113.07 3f1f s VAL 142 Ca 0.57 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 3f1f s VAL 142 Cb -0.20 -2.62 0.19 0.00 0.56 0.00 0.00 36.38 34.31 3f1f s VAL 142 CO 0.25 0.00 0.84 -0.55 -0.31 0.00 0.00 175.10 175.33 3f1f s SER 143 N -3.20 -0.93 0.48 4.85 0.15 -0.22 -2.93 113.70 111.91 3f1f s SER 143 Ca 0.28 -0.36 -0.22 0.00 0.70 0.00 0.00 55.95 56.35 3f1f s SER 143 Cb -0.01 1.25 -0.07 0.00 -1.71 0.00 0.00 66.02 65.48 3f1f s SER 143 CO 0.18 -0.11 1.12 -0.69 1.20 0.00 0.00 173.24 174.94 3f1f s VAL 144 N 2.08 3.29 0.00 4.45 1.01 0.43 0.40 120.40 132.07 3f1f s VAL 144 Ca 0.16 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3f1f s VAL 144 Cb -0.01 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3f1f s VAL 144 CO -0.13 -0.08 0.00 1.33 0.00 0.00 0.00 175.10 176.21