#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s ARG 4 N 0.00 2.60 -0.28 -0.72 0.52 -1.26 0.11 118.95 119.92 3f1h s ARG 4 Ca 0.00 -1.10 -0.22 0.00 -0.52 0.00 0.00 55.73 53.89 3f1h s ARG 4 Cb 0.00 -2.43 0.09 0.00 0.52 0.00 0.00 34.95 33.13 3f1h s ARG 4 CO 0.00 0.43 0.81 -1.17 0.02 0.00 0.00 175.30 175.39 3f1h s LEU 5 N -3.30 -0.70 -0.45 2.53 0.20 0.45 -4.85 118.68 112.56 3f1h s LEU 5 Ca 0.30 1.28 -0.25 0.00 0.69 0.00 0.00 54.13 56.15 3f1h s LEU 5 Cb -0.09 2.26 0.02 0.00 -0.43 0.00 0.00 46.19 47.96 3f1h s LEU 5 CO 0.21 -0.21 0.88 -0.75 -0.29 0.00 0.00 176.35 176.19 3f1h s LYS 6 N 0.69 3.54 0.76 1.98 2.47 -1.26 -0.70 119.74 127.21 3f1h s LYS 6 Ca -0.02 0.14 -0.05 0.00 -1.56 0.00 0.00 55.97 54.48 3f1h s LYS 6 Cb -0.05 -3.91 0.13 0.00 -1.46 0.00 0.00 37.83 32.53 3f1h s LYS 6 CO -0.06 -1.16 1.05 0.00 0.16 0.00 0.00 175.35 175.34 3f1h s ALA 7 N 3.59 3.32 -0.03 3.13 0.00 -0.82 -4.52 121.76 126.43 3f1h s ALA 7 Ca 0.35 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 3f1h s ALA 7 Cb -0.11 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.77 3f1h s ALA 7 CO 0.24 -1.59 0.30 0.71 0.00 0.00 0.00 175.76 175.42 3f1h s TYR 8 N -3.29 -0.18 0.30 0.00 1.51 -1.07 -4.59 117.35 110.02 3f1h s TYR 8 Ca 0.66 0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 56.82 3f1h s TYR 8 Cb -0.06 0.09 -0.09 0.00 -0.11 0.00 0.00 41.96 41.78 3f1h s TYR 8 CO 0.46 -0.35 0.83 0.71 -1.11 0.00 0.00 175.55 176.09 3f1h s TYR 9 N -1.14 3.57 0.24 2.71 1.51 -1.26 -1.99 117.35 120.99 3f1h s TYR 9 Ca -0.12 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 57.51 3f1h s TYR 9 Cb -0.05 -2.74 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3f1h s TYR 9 CO 0.04 0.19 0.00 0.50 -1.11 0.00 0.00 175.55 175.17 3f1h s ARG 10 N -2.33 1.38 0.00 -0.62 3.52 -0.27 -4.87 118.95 115.76 3f1h s ARG 10 Ca 0.50 -1.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.39 3f1h s ARG 10 Cb -0.15 -0.66 0.00 0.00 -1.56 0.00 0.00 34.95 32.58 3f1h s ARG 10 CO 0.20 -0.10 0.00 -1.91 -0.81 0.00 0.00 175.30 172.68 3f1h n GLU 11 N -0.45 0.00 0.09 5.12 4.07 -1.26 -4.62 120.64 123.59 3f1h n GLU 11 Ca -0.05 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.18 3f1h n GLU 11 Cb 0.64 0.00 0.27 0.00 -0.06 0.00 0.00 31.44 32.29 3f1h n GLU 11 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3f1h h GLY 12 N 0.00 0.00 -1.98 8.31 0.00 -2.01 -3.48 103.07 103.91 3f1h h GLY 12 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3f1h h GLY 12 CO 0.00 0.00 0.06 1.18 0.00 0.00 0.00 176.54 177.78 3f1h n GLU 13 N -2.28 0.26 -2.58 4.80 4.71 -1.26 -4.91 120.64 119.38 3f1h n GLU 13 Ca 0.04 0.15 -0.43 0.00 -0.01 0.00 0.00 57.16 56.92 3f1h n GLU 13 Cb 0.45 -2.22 -0.02 0.00 -1.01 0.00 0.00 31.44 28.63 3f1h n GLU 13 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3f1h s LYS 14 N -3.61 4.35 0.27 3.49 1.02 -1.26 -4.91 119.74 119.09 3f1h s LYS 14 Ca 0.70 1.50 -0.00 0.00 0.02 0.00 0.00 55.97 58.20 3f1h s LYS 14 Cb -0.31 -3.59 0.52 0.00 -0.52 0.00 0.00 37.83 33.93 3f1h s LYS 14 CO 0.53 -0.46 1.82 -1.35 -0.92 0.00 0.00 175.35 174.98 3f1h h PRO 15 N 7.40 0.88 -0.66 -1.68 0.11 -1.97 0.85 132.00 136.93 3f1h h PRO 15 Ca -0.29 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.82 3f1h h PRO 15 Cb 1.13 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 3f1h h PRO 15 CO 0.90 0.58 0.37 0.66 -0.21 0.00 0.00 178.00 180.30 3f1h h SER 16 N 0.91 0.56 -0.63 -2.05 4.64 -1.98 -1.81 113.55 113.18 3f1h h SER 16 Ca 0.48 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.75 3f1h h SER 16 Cb 0.49 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3f1h h SER 16 CO -0.27 0.37 0.13 0.00 -0.87 0.00 0.00 176.83 176.18 3f1h h ALA 17 N 1.33 0.99 -0.20 5.18 0.00 -1.26 -2.69 119.26 122.61 3f1h h ALA 17 Ca 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f1h h ALA 17 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3f1h h ALA 17 CO -0.17 0.64 0.13 -0.07 0.00 0.00 0.00 179.25 179.78 3f1h h LEU 18 N 0.99 0.24 -1.48 0.00 4.07 -0.66 -1.87 115.31 116.60 3f1h h LEU 18 Ca 0.20 -0.04 0.11 0.00 0.08 0.00 0.00 57.88 58.23 3f1h h LEU 18 Cb 0.40 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 3f1h h LEU 18 CO 0.01 0.21 0.49 0.03 -1.08 0.00 0.00 178.44 178.10 3f1h h ARG 19 N 0.25 0.55 -0.59 1.13 3.08 -1.19 -0.69 114.38 116.92 3f1h h ARG 19 Ca 0.07 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.19 3f1h h ARG 19 Cb 0.01 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 29.86 3f1h h ARG 19 CO -0.01 0.36 0.18 0.00 -1.07 0.00 0.00 179.97 179.43 3f1h h ARG 20 N 0.56 0.33 -0.11 0.04 -0.00 -1.01 -2.63 114.38 111.56 3f1h h ARG 20 Ca 0.35 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.98 59.72 3f1h h ARG 20 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.49 3f1h h ARG 20 CO -0.12 0.22 -0.30 0.00 0.00 0.00 0.00 179.97 179.77 3f1h h ALA 21 N 1.43 0.18 0.00 0.04 0.00 -1.09 -3.47 119.26 116.35 3f1h h ALA 21 Ca 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3f1h h ALA 21 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3f1h h ALA 21 CO -0.34 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.53 3f1h n GLY 22 N 0.53 -0.32 3.50 0.00 0.00 -0.65 -5.11 105.19 103.14 3f1h n GLY 22 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3f1h n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s LYS 23 N 0.00 3.17 -0.02 1.61 -0.14 -0.97 -1.44 119.74 121.95 3f1h s LYS 23 Ca 0.00 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 53.66 3f1h s LYS 23 Cb 0.00 -3.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.16 3f1h s LYS 23 CO 0.00 -0.86 1.25 -1.17 -0.76 0.00 0.00 175.35 173.81 3f1h s LEU 24 N 2.26 4.30 0.83 3.17 2.96 -0.87 -3.49 118.68 127.84 3f1h s LEU 24 Ca 0.14 1.92 -0.12 0.00 -0.22 0.00 0.00 54.13 55.85 3f1h s LEU 24 Cb -0.16 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.08 3f1h s LEU 24 CO 0.14 -0.59 1.18 -2.16 -1.32 0.00 0.00 176.35 173.60 3f1h s PRO 25 N 2.05 1.62 0.00 0.98 0.04 -1.26 -1.82 135.00 136.61 3f1h s PRO 25 Ca 0.58 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.47 3f1h s PRO 25 Cb -0.27 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3f1h s PRO 25 CO 0.24 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.93 3f1h n GLY 26 N -3.35 -1.31 3.10 0.56 0.00 -0.78 -2.30 105.19 101.11 3f1h n GLY 26 Ca 0.10 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 3f1h n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 27 N -2.98 0.37 -0.01 1.61 1.01 0.04 -2.21 120.40 118.24 3f1h s VAL 27 Ca 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.28 3f1h s VAL 27 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3f1h s VAL 27 CO 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 175.10 174.14 3f1h s MET 28 N -3.52 0.63 -0.09 2.72 0.23 -1.00 0.41 119.30 118.69 3f1h s MET 28 Ca 0.05 -0.27 -0.32 0.00 -1.03 0.00 0.00 55.69 54.12 3f1h s MET 28 Cb 0.04 -0.61 0.12 0.00 -1.53 0.00 0.00 34.83 32.85 3f1h s MET 28 CO -0.07 0.16 1.09 1.52 -2.03 0.00 0.00 175.02 175.70 3f1h s TYR 29 N -0.16 -0.19 0.00 3.16 -0.85 0.07 -0.33 117.35 119.06 3f1h s TYR 29 Ca 0.03 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 3f1h s TYR 29 Cb -0.03 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.84 3f1h s TYR 29 CO -0.00 -0.37 0.00 0.27 -1.52 0.00 0.00 175.55 173.93 3f1h n ASN 30 N -0.21 0.00 0.01 -0.18 6.94 -0.32 -1.76 115.26 119.74 3f1h n ASN 30 Ca -0.04 -0.75 0.00 0.00 -0.02 0.00 0.00 54.58 53.77 3f1h n ASN 30 Cb 0.60 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.04 3f1h n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3f1h n ARG 31 N 0.00 0.01 0.00 -3.83 1.85 -1.26 -2.70 116.66 110.73 3f1h n ARG 31 Ca 0.00 0.39 0.00 0.00 -1.00 0.00 0.00 57.85 57.24 3f1h n ARG 31 Cb 0.00 -1.64 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 3f1h n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3f1h n HIS 32 N -1.41 0.00 -3.93 2.89 8.25 -1.26 -5.10 115.22 114.66 3f1h n HIS 32 Ca -0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 3f1h n HIS 32 Cb 0.12 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 3f1h n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3f1h s LEU 33 N -2.45 3.96 -0.30 2.41 2.96 -1.10 -5.11 118.68 119.05 3f1h s LEU 33 Ca 0.00 -0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.55 3f1h s LEU 33 Cb 0.00 -2.54 0.18 0.00 0.50 0.00 0.00 46.19 44.33 3f1h s LEU 33 CO 0.00 -0.16 1.20 0.21 -1.32 0.00 0.00 176.35 176.28 3f1h s ASN 34 N -3.96 -0.20 -0.09 3.68 3.84 -1.24 -1.17 114.94 115.81 3f1h s ASN 34 Ca 0.36 0.20 -0.08 0.00 0.21 0.00 0.00 52.86 53.55 3f1h s ASN 34 Cb -0.08 1.20 0.02 0.00 -0.55 0.00 0.00 41.25 41.84 3f1h s ASN 34 CO 0.27 -0.04 0.24 -0.13 -2.79 0.00 0.00 177.10 174.66 3f1h s ARG 35 N 2.49 0.28 -0.16 0.43 1.81 0.55 -4.99 118.95 119.36 3f1h s ARG 35 Ca -0.03 0.35 -0.29 0.00 -1.72 0.00 0.00 55.73 54.04 3f1h s ARG 35 Cb -0.05 0.12 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 3f1h s ARG 35 CO -0.13 -0.04 1.11 0.15 -0.68 0.00 0.00 175.30 175.71 3f1h s LYS 36 N 0.21 4.30 0.25 3.54 1.02 -1.26 -2.37 119.74 125.43 3f1h s LYS 36 Ca -0.01 1.49 0.05 0.00 0.02 0.00 0.00 55.97 57.52 3f1h s LYS 36 Cb -0.02 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 3f1h s LYS 36 CO -0.00 -0.55 0.23 1.33 -0.92 0.00 0.00 175.35 175.43 3f1h n VAL 37 N 5.06 0.00 -3.45 3.17 0.24 -0.94 -1.11 118.33 121.30 3f1h n VAL 37 Ca 0.12 -1.76 0.01 0.00 -2.04 0.00 0.00 64.34 60.67 3f1h n VAL 37 Cb 0.46 0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 33.68 3f1h n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3f1h s TYR 38 N -3.06 -0.38 0.67 6.34 -0.85 -0.84 -1.86 117.35 117.37 3f1h s TYR 38 Ca 0.29 0.69 -0.00 0.00 -0.52 0.00 0.00 57.07 57.53 3f1h s TYR 38 Cb 0.01 0.23 0.10 0.00 0.38 0.00 0.00 41.96 42.68 3f1h s TYR 38 CO 0.20 -0.19 0.93 0.14 -1.52 0.00 0.00 175.55 175.12 3f1h s VAL 39 N 1.82 2.28 0.10 -3.49 -7.23 -0.75 -2.60 120.40 110.52 3f1h s VAL 39 Ca -0.04 -0.61 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 3f1h s VAL 39 Cb -0.03 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.17 3f1h s VAL 39 CO -0.15 0.00 0.82 -0.62 -0.31 0.00 0.00 175.10 174.84 3f1h s ASP 40 N -4.64 7.34 0.00 4.85 2.15 -1.26 -2.05 116.67 123.06 3f1h s ASP 40 Ca 0.64 1.60 0.00 0.00 0.43 0.00 0.00 52.55 55.21 3f1h s ASP 40 Cb -0.07 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 3f1h s ASP 40 CO 0.43 0.05 0.88 -0.11 -0.17 0.00 0.00 175.17 176.24 3f1h n LEU 41 N 2.47 0.00 -0.35 -1.34 0.00 -0.52 0.13 117.00 117.39 3f1h n LEU 41 Ca -0.02 0.88 0.31 0.00 0.00 0.00 0.00 56.01 57.18 3f1h n LEU 41 Cb 0.49 -0.38 0.58 0.00 0.00 0.00 0.00 43.42 44.11 3f1h n LEU 41 CO 0.48 -0.38 1.11 1.62 0.00 0.00 0.00 177.39 180.22 3f1h h VAL 42 N 0.00 0.09 0.59 1.96 3.04 -1.96 0.49 116.25 120.46 3f1h h VAL 42 Ca 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 3f1h h VAL 42 Cb 0.00 -0.01 0.01 0.00 -2.01 0.00 0.00 31.29 29.28 3f1h h VAL 42 CO 0.00 0.02 -0.28 -0.33 -1.01 0.00 0.00 177.57 175.96 3f1h h GLU 43 N 0.09 -0.76 -0.92 4.17 5.08 -1.88 -2.84 114.58 117.51 3f1h h GLU 43 Ca 0.82 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 59.42 3f1h h GLU 43 Cb 2.20 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 31.55 3f1h h GLU 43 CO -0.66 -0.46 0.59 0.35 -1.00 0.00 0.00 179.01 177.84 3f1h h PHE 44 N -1.10 0.72 0.66 4.33 3.04 0.40 -1.79 116.94 123.19 3f1h h PHE 44 Ca -0.08 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 3f1h h PHE 44 Cb 0.66 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 38.95 3f1h h PHE 44 CO 0.01 0.20 -0.32 0.22 -2.02 0.00 0.00 178.31 176.40 3f1h h ASP 45 N 0.55 -0.75 -0.89 0.41 1.82 -0.69 1.21 116.42 118.08 3f1h h ASP 45 Ca 0.49 0.00 0.22 0.00 -0.39 0.00 0.00 57.03 57.35 3f1h h ASP 45 Cb 1.00 0.19 -0.13 0.00 0.68 0.00 0.00 39.33 41.08 3f1h h ASP 45 CO -0.22 -0.48 0.36 0.11 -1.61 0.00 0.00 179.24 177.40 3f1h h LYS 46 N -0.96 0.36 0.26 0.28 1.57 -1.10 0.27 116.57 117.24 3f1h h LYS 46 Ca -0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3f1h h LYS 46 Cb 0.70 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3f1h h LYS 46 CO 0.15 0.24 -0.12 0.28 -0.57 0.00 0.00 179.45 179.42 3f1h h VAL 47 N 0.37 0.37 -0.37 0.50 2.07 -0.88 -3.27 116.25 115.04 3f1h h VAL 47 Ca 0.55 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3f1h h VAL 47 Cb 1.06 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3f1h h VAL 47 CO -0.54 0.10 0.11 0.15 0.02 0.00 0.00 177.57 177.40 3f1h h PHE 48 N -1.01 0.53 -0.34 1.57 -0.00 0.19 1.15 116.94 119.03 3f1h h PHE 48 Ca -0.04 -0.03 0.07 0.00 -0.00 0.00 0.00 57.97 57.98 3f1h h PHE 48 Cb 0.42 -0.17 -0.07 0.00 -0.00 0.00 0.00 35.95 36.14 3f1h h PHE 48 CO 0.04 0.45 -0.10 0.00 -0.00 0.00 0.00 178.31 178.70 3f1h h ARG 49 N 0.53 -0.02 -0.03 1.11 2.47 -1.09 0.17 114.38 117.53 3f1h h ARG 49 Ca 0.13 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.68 3f1h h ARG 49 Cb 0.17 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.51 3f1h h ARG 49 CO -0.01 -0.01 -0.62 0.37 0.56 0.00 0.00 179.97 180.26 3f1h h GLN 50 N -0.02 0.47 0.19 0.04 5.75 -1.27 -3.39 115.11 116.88 3f1h h GLN 50 Ca 0.17 -0.47 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 3f1h h GLN 50 Cb 0.27 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.95 3f1h h GLN 50 CO -0.36 1.11 -0.09 0.00 -2.65 0.00 0.00 178.83 176.84 3f1h h ALA 51 N 0.37 -0.65 -1.71 3.38 0.00 0.17 -3.48 119.26 117.33 3f1h h ALA 51 Ca -0.07 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.92 3f1h h ALA 51 Cb 1.31 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3f1h h ALA 51 CO 0.12 -0.63 -0.18 -1.13 0.00 0.00 0.00 179.25 177.43 3f1h n SER 52 N -3.03 -4.75 -0.48 0.00 3.41 0.58 -3.23 113.62 106.12 3f1h n SER 52 Ca -0.03 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.15 3f1h n SER 52 Cb 0.10 -1.52 0.10 0.00 -0.26 0.00 0.00 64.21 62.63 3f1h n SER 52 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3f1h n ILE 53 N -2.25 0.37 -0.12 -1.33 -6.64 -1.26 -3.70 119.36 104.42 3f1h n ILE 53 Ca 0.00 -0.31 -0.20 0.00 -1.77 0.00 0.00 62.75 60.47 3f1h n ILE 53 Cb 0.23 0.07 -0.12 0.00 -1.44 0.00 0.00 39.64 38.39 3f1h n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3f1h n HIS 54 N 0.16 0.12 -3.69 4.28 -0.00 -1.26 -4.70 115.22 110.13 3f1h n HIS 54 Ca 0.08 0.03 -0.37 0.00 -0.00 0.00 0.00 57.72 57.46 3f1h n HIS 54 Cb 0.23 -1.02 -0.07 0.00 -0.00 0.00 0.00 29.99 29.14 3f1h n HIS 54 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3f1h s HIS 55 N -2.52 3.56 0.68 4.41 3.76 -1.20 -4.97 115.29 119.01 3f1h s HIS 55 Ca -0.34 0.61 -0.15 0.00 -0.15 0.00 0.00 55.06 55.02 3f1h s HIS 55 Cb 0.10 -2.15 0.01 0.00 1.11 0.00 0.00 32.58 31.65 3f1h s HIS 55 CO 0.60 0.52 1.15 0.08 -0.85 0.00 0.00 174.74 176.24 3f1h s VAL 56 N -0.43 2.87 -0.05 -0.90 1.01 -1.26 -4.68 120.40 116.95 3f1h s VAL 56 Ca 0.16 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.59 3f1h s VAL 56 Cb -0.13 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3f1h s VAL 56 CO 0.05 -0.24 -0.16 -0.63 0.00 0.00 0.00 175.10 174.13 3f1h s ILE 57 N -2.17 1.34 -0.36 2.22 1.09 0.00 -1.74 121.20 121.58 3f1h s ILE 57 Ca 0.70 -0.65 -0.20 0.00 -1.10 0.00 0.00 60.65 59.40 3f1h s ILE 57 Cb -0.24 -1.17 0.00 0.00 -1.06 0.00 0.00 42.46 40.00 3f1h s ILE 57 CO 0.42 0.39 0.62 -0.69 -0.10 0.00 0.00 174.94 175.59 3f1h s VAL 58 N 0.21 4.90 0.21 2.92 1.01 0.30 0.07 120.40 130.01 3f1h s VAL 58 Ca -0.07 0.52 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 3f1h s VAL 58 Cb -0.13 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3f1h s VAL 58 CO 0.03 -0.33 0.68 -0.76 0.00 0.00 0.00 175.10 174.72 3f1h s LEU 59 N 2.69 4.32 -0.33 3.92 1.43 0.54 -0.41 118.68 130.83 3f1h s LEU 59 Ca 0.24 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 3f1h s LEU 59 Cb -0.15 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.62 3f1h s LEU 59 CO 0.15 0.03 0.09 -1.61 0.23 0.00 0.00 176.35 175.24 3f1h s GLU 60 N -2.06 1.04 0.46 1.70 0.41 0.12 -1.96 118.70 118.42 3f1h s GLU 60 Ca 0.43 -1.45 -0.04 0.00 -0.41 0.00 0.00 54.97 53.50 3f1h s GLU 60 Cb -0.16 -2.46 -0.03 0.00 -1.78 0.00 0.00 34.13 29.70 3f1h s GLU 60 CO 0.20 -0.99 0.74 -0.51 -0.49 0.00 0.00 175.26 174.22 3f1h s LEU 61 N 1.24 3.67 0.00 1.80 1.43 -0.82 -1.95 118.68 124.05 3f1h s LEU 61 Ca 0.11 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 3f1h s LEU 61 Cb -0.19 -3.70 0.04 0.00 0.03 0.00 0.00 46.19 42.38 3f1h s LEU 61 CO -0.17 -0.57 0.40 -2.65 0.23 0.00 0.00 176.35 173.59 3f1h n PRO 62 N -2.19 0.35 -0.61 1.29 -0.02 -1.26 -1.47 135.00 131.09 3f1h n PRO 62 Ca -0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 3f1h n PRO 62 Cb 0.56 -1.03 0.34 0.00 -0.02 0.00 0.00 33.50 33.34 3f1h n PRO 62 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3f1h n ASP 63 N -0.53 4.59 0.00 2.55 8.00 -1.26 -4.89 116.55 125.01 3f1h n ASP 63 Ca 0.01 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.04 3f1h n ASP 63 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 3f1h n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f1h n GLY 64 N 1.03 1.00 3.65 0.44 0.00 -0.54 -4.91 105.19 105.87 3f1h n GLY 64 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3f1h n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f1h s GLN 65 N -0.19 4.07 -0.02 1.61 -0.21 -1.22 -4.83 119.66 118.87 3f1h s GLN 65 Ca 0.00 2.22 -0.10 0.00 0.02 0.00 0.00 55.36 57.49 3f1h s GLN 65 Cb 0.00 -4.05 -0.05 0.00 1.00 0.00 0.00 33.01 29.91 3f1h s GLN 65 CO 0.00 -0.99 0.30 -1.54 -2.12 0.00 0.00 175.29 170.94 3f1h s SER 66 N 3.95 6.60 -0.08 5.90 1.04 -1.26 -1.95 113.70 127.90 3f1h s SER 66 Ca 0.78 0.72 -0.06 0.00 0.48 0.00 0.00 55.95 57.87 3f1h s SER 66 Cb -0.34 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.65 3f1h s SER 66 CO 0.33 0.31 0.21 -0.76 0.98 0.00 0.00 173.24 174.31 3f1h s LEU 67 N -1.32 0.87 -1.32 2.42 1.02 -0.83 -4.94 118.68 114.58 3f1h s LEU 67 Ca 0.23 0.43 -0.16 0.00 0.02 0.00 0.00 54.13 54.65 3f1h s LEU 67 Cb -0.14 0.66 0.08 0.00 0.02 0.00 0.00 46.19 46.80 3f1h s LEU 67 CO 0.12 -0.12 1.81 -0.81 0.02 0.00 0.00 176.35 177.37 3f1h n PRO 68 N 3.59 3.16 -3.63 1.29 -0.04 -1.26 -0.34 135.00 137.77 3f1h n PRO 68 Ca -0.19 -3.21 -0.36 0.00 -0.04 0.00 0.00 63.50 59.69 3f1h n PRO 68 Cb 0.56 -3.39 -0.07 0.00 -0.04 0.00 0.00 33.50 30.55 3f1h n PRO 68 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3f1h s THR 69 N 3.63 5.34 -0.02 0.52 -4.23 0.11 -1.68 115.64 119.31 3f1h s THR 69 Ca 0.51 0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 61.32 3f1h s THR 69 Cb 0.05 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 3f1h s THR 69 CO 0.04 0.44 0.34 -0.76 -0.54 0.00 0.00 174.62 174.14 3f1h s LEU 70 N 0.16 4.43 -0.32 4.79 1.43 -0.18 -0.82 118.68 128.17 3f1h s LEU 70 Ca 0.14 0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 53.75 3f1h s LEU 70 Cb -0.12 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 3f1h s LEU 70 CO 0.03 0.32 1.41 0.68 0.23 0.00 0.00 176.35 179.02 3f1h s VAL 71 N -1.13 3.96 -0.12 -1.59 -7.23 -1.26 0.82 120.40 113.85 3f1h s VAL 71 Ca 0.23 1.05 -0.28 0.00 -1.81 0.00 0.00 61.98 61.17 3f1h s VAL 71 Cb -0.15 -4.07 -0.25 0.00 0.56 0.00 0.00 36.38 32.47 3f1h s VAL 71 CO 0.12 -0.52 0.82 0.03 -0.31 0.00 0.00 175.10 175.24 3f1h h ARG 72 N 10.11 -0.00 -2.08 4.82 2.47 -1.01 -3.42 114.38 125.27 3f1h h ARG 72 Ca -0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 3f1h h ARG 72 Cb 1.11 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.25 3f1h h ARG 72 CO 1.04 0.92 0.32 1.14 0.56 0.00 0.00 179.97 183.95 3f1h s GLN 73 N -2.46 0.95 -0.18 0.04 -2.07 -1.25 -5.00 119.66 109.70 3f1h s GLN 73 Ca -0.18 0.06 -0.02 0.00 -1.82 0.00 0.00 55.36 53.39 3f1h s GLN 73 Cb -0.02 0.45 0.05 0.00 -1.09 0.00 0.00 33.01 32.39 3f1h s GLN 73 CO 0.68 -0.33 0.02 0.08 -1.32 0.00 0.00 175.29 174.41 3f1h s VAL 74 N -1.78 0.61 0.10 3.63 1.01 -1.26 -1.51 120.40 121.19 3f1h s VAL 74 Ca -0.05 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 3f1h s VAL 74 Cb -0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 3f1h s VAL 74 CO 0.02 -0.11 0.86 0.20 0.00 0.00 0.00 175.10 176.08 3f1h s ASN 75 N 1.83 7.38 0.20 3.32 0.01 -0.80 -4.92 114.94 121.95 3f1h s ASN 75 Ca -0.00 1.64 0.05 0.00 -0.71 0.00 0.00 52.86 53.85 3f1h s ASN 75 Cb -0.16 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3f1h s ASN 75 CO -0.07 0.02 0.21 -0.76 -1.51 0.00 0.00 177.10 174.98 3f1h s LEU 76 N -0.24 3.96 -0.81 0.60 1.02 -1.26 0.28 118.68 122.23 3f1h s LEU 76 Ca 0.42 -0.10 -0.26 0.00 0.02 0.00 0.00 54.13 54.22 3f1h s LEU 76 Cb -0.22 -2.53 0.04 0.00 0.02 0.00 0.00 46.19 43.50 3f1h s LEU 76 CO 0.27 0.01 1.30 -0.62 0.02 0.00 0.00 176.35 177.33 3f1h s ASP 77 N -3.49 6.26 0.59 2.29 2.15 0.18 -4.78 116.67 119.87 3f1h s ASP 77 Ca 0.33 -0.76 -0.18 0.00 0.43 0.00 0.00 52.55 52.37 3f1h s ASP 77 Cb -0.09 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 39.88 3f1h s ASP 77 CO 0.25 -1.72 0.37 0.29 -0.17 0.00 0.00 175.17 174.19 3f1h n LYS 78 N 9.12 0.37 -1.28 4.34 4.76 -1.26 -3.99 118.16 130.22 3f1h n LYS 78 Ca 0.11 0.15 -0.00 0.00 -2.87 0.00 0.00 58.31 55.69 3f1h n LYS 78 Cb 0.49 -1.56 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3f1h n LYS 78 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3f1h n ARG 79 N 0.22 -0.65 -3.05 1.97 0.63 -1.26 -4.87 116.66 109.66 3f1h n ARG 79 Ca 0.10 0.91 -0.00 0.00 -0.92 0.00 0.00 57.85 57.94 3f1h n ARG 79 Cb 0.48 -1.15 -0.00 0.00 0.45 0.00 0.00 32.46 32.23 3f1h n ARG 79 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3f1h n ARG 80 N 0.23 -1.32 -1.42 -0.14 1.74 -1.26 -4.79 116.66 109.70 3f1h n ARG 80 Ca -0.01 1.40 -0.42 0.00 -0.77 0.00 0.00 57.85 58.05 3f1h n ARG 80 Cb 0.02 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 3f1h n ARG 80 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3f1h n ARG 81 N 1.42 0.43 0.00 5.56 1.85 -1.26 -4.81 116.66 119.85 3f1h n ARG 81 Ca -0.03 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 3f1h n ARG 81 Cb 0.33 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 3f1h n ARG 81 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3f1h n ARG 82 N 0.76 0.00 -2.35 2.89 0.63 -1.26 -4.95 116.66 112.38 3f1h n ARG 82 Ca 0.12 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.64 3f1h n ARG 82 Cb 0.39 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.27 3f1h n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3f1h s PRO 83 N -0.92 4.49 -0.20 -0.14 0.04 -1.26 0.50 135.00 137.52 3f1h s PRO 83 Ca 0.00 1.91 0.09 0.00 0.04 0.00 0.00 61.00 63.04 3f1h s PRO 83 Cb 0.00 -3.21 -0.18 0.00 0.04 0.00 0.00 34.50 31.15 3f1h s PRO 83 CO 0.00 -0.06 -0.06 0.39 0.04 0.00 0.00 177.00 177.31 3f1h n GLU 84 N 2.12 0.87 -3.64 4.56 1.02 0.14 -4.78 120.64 120.93 3f1h n GLU 84 Ca 0.03 0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 3f1h n GLU 84 Cb 0.44 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 3f1h n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3f1h s HIS 85 N -2.43 -0.47 0.36 -0.32 5.04 -1.19 -4.29 115.29 111.99 3f1h s HIS 85 Ca -0.19 1.05 0.08 0.00 -1.54 0.00 0.00 55.06 54.46 3f1h s HIS 85 Cb 0.06 0.36 -0.03 0.00 0.04 0.00 0.00 32.58 33.01 3f1h s HIS 85 CO 0.62 -0.23 0.27 0.08 -2.34 0.00 0.00 174.74 173.13 3f1h s VAL 86 N 0.64 3.06 -0.03 0.89 1.01 -0.97 -1.91 120.40 123.09 3f1h s VAL 86 Ca -0.01 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.51 3f1h s VAL 86 Cb -0.04 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.28 3f1h s VAL 86 CO -0.10 -0.12 -0.06 -1.81 0.00 0.00 0.00 175.10 173.01 3f1h s ASP 87 N -3.98 0.93 -0.21 3.32 -0.00 -0.57 -0.78 116.67 115.38 3f1h s ASP 87 Ca 0.42 -0.14 0.01 0.00 -0.00 0.00 0.00 52.55 52.85 3f1h s ASP 87 Cb -0.03 -0.29 0.04 0.00 -0.00 0.00 0.00 42.92 42.64 3f1h s ASP 87 CO 0.25 0.02 -0.12 -0.36 -0.00 0.00 0.00 175.17 174.96 3f1h s PHE 88 N 0.38 2.72 -0.46 4.23 0.40 0.17 -0.30 117.98 125.10 3f1h s PHE 88 Ca -0.05 -1.81 -0.22 0.00 -0.60 0.00 0.00 56.93 54.25 3f1h s PHE 88 Cb -0.09 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.70 3f1h s PHE 88 CO 0.00 -0.79 0.76 0.12 0.70 0.00 0.00 175.22 176.01 3f1h s PHE 89 N 1.30 2.99 -0.39 0.36 2.19 0.24 -0.75 117.98 123.92 3f1h s PHE 89 Ca -0.02 0.04 -0.28 0.00 0.33 0.00 0.00 56.93 57.00 3f1h s PHE 89 Cb -0.17 -3.64 -0.01 0.00 -1.31 0.00 0.00 43.02 37.89 3f1h s PHE 89 CO -0.08 -1.01 1.69 0.08 1.83 0.00 0.00 175.22 177.72 3f1h s VAL 90 N 3.23 3.59 0.76 3.12 1.01 -0.72 -1.01 120.40 130.38 3f1h s VAL 90 Ca 0.27 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 3f1h s VAL 90 Cb -0.13 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.44 3f1h s VAL 90 CO 0.21 -0.59 1.14 -0.76 0.00 0.00 0.00 175.10 175.10 3f1h s LEU 91 N 6.69 2.70 0.00 3.92 1.43 -0.68 -4.72 118.68 128.02 3f1h s LEU 91 Ca 0.72 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3f1h s LEU 91 Cb -0.19 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3f1h s LEU 91 CO 0.32 -1.63 0.00 -1.20 0.23 0.00 0.00 176.35 174.07 3f1h n SER 92 N -3.16 0.00 0.00 2.29 7.64 -1.26 -4.71 113.62 114.41 3f1h n SER 92 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3f1h n SER 92 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3f1h n SER 92 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3f1h n ASP 93 N -1.74 0.00 -4.93 6.43 5.68 -1.26 -4.90 116.55 115.83 3f1h n ASP 93 Ca 0.00 -0.17 -0.25 0.00 -0.50 0.00 0.00 54.79 53.87 3f1h n ASP 93 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3f1h n ASP 93 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3f1h s GLU 94 N 0.00 3.39 -0.83 0.11 1.03 -1.26 -4.62 118.70 116.52 3f1h s GLU 94 Ca 0.00 -0.15 -0.26 0.00 0.03 0.00 0.00 54.97 54.59 3f1h s GLU 94 Cb 0.00 -2.52 -0.12 0.00 -0.80 0.00 0.00 34.13 30.69 3f1h s GLU 94 CO 0.00 -0.11 2.30 -1.25 -1.33 0.00 0.00 175.26 174.86 3f1h s PRO 95 N -4.56 1.78 -0.00 -4.83 0.04 -1.26 -4.14 135.00 122.03 3f1h s PRO 95 Ca 0.45 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 3f1h s PRO 95 Cb -0.10 -4.86 -0.05 0.00 0.04 0.00 0.00 34.50 29.53 3f1h s PRO 95 CO 0.40 -4.29 0.33 0.54 0.04 0.00 0.00 177.00 174.02 3f1h s VAL 96 N 13.93 5.18 0.24 -0.36 0.11 0.25 -4.64 120.40 135.10 3f1h s VAL 96 Ca 0.87 0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 60.39 3f1h s VAL 96 Cb -0.11 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.08 3f1h s VAL 96 CO 0.07 0.47 0.48 -1.83 -3.33 0.00 0.00 175.10 170.96 3f1h s GLU 97 N -1.40 3.60 -0.28 1.54 4.04 -1.26 0.01 118.70 124.95 3f1h s GLU 97 Ca 0.25 -0.11 -0.27 0.00 0.04 0.00 0.00 54.97 54.87 3f1h s GLU 97 Cb -0.14 -2.73 0.19 0.00 0.02 0.00 0.00 34.13 31.46 3f1h s GLU 97 CO 0.13 0.31 1.36 0.00 -1.84 0.00 0.00 175.26 175.22 3f1h s MET 98 N -3.34 0.11 0.25 -4.83 0.23 -0.87 -4.91 119.30 105.93 3f1h s MET 98 Ca 0.42 0.06 -0.30 0.00 -1.03 0.00 0.00 55.69 54.84 3f1h s MET 98 Cb -0.11 0.05 -0.10 0.00 -1.53 0.00 0.00 34.83 33.15 3f1h s MET 98 CO 0.29 -0.03 1.35 0.71 -2.03 0.00 0.00 175.02 175.31 3f1h s TYR 99 N -0.59 3.14 0.03 3.16 2.02 -1.25 -2.27 117.35 121.59 3f1h s TYR 99 Ca 0.07 1.20 0.03 0.00 -0.37 0.00 0.00 57.07 58.01 3f1h s TYR 99 Cb -0.03 -3.69 -0.02 0.00 -0.40 0.00 0.00 41.96 37.83 3f1h s TYR 99 CO -0.10 -2.13 -0.09 0.14 -1.57 0.00 0.00 175.55 171.80 3f1h s VAL 100 N -0.22 0.71 0.82 0.71 -7.23 0.01 -4.40 120.40 110.79 3f1h s VAL 100 Ca 0.56 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.84 3f1h s VAL 100 Cb -0.39 -0.68 0.13 0.00 0.56 0.00 0.00 36.38 36.00 3f1h s VAL 100 CO 0.43 -0.09 0.29 -2.65 -0.31 0.00 0.00 175.10 172.77 3f1h n PRO 101 N 2.06 -0.37 -3.18 4.82 -0.02 -1.26 -0.30 135.00 136.75 3f1h n PRO 101 Ca -0.18 -0.49 0.02 0.00 -2.02 0.00 0.00 63.50 60.83 3f1h n PRO 101 Cb 0.56 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 3f1h n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3f1h s LEU 102 N 0.00 -1.30 -0.44 2.45 1.43 -1.19 -3.98 118.68 115.66 3f1h s LEU 102 Ca 0.23 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 3f1h s LEU 102 Cb -0.04 1.99 0.04 0.00 0.03 0.00 0.00 46.19 48.20 3f1h s LEU 102 CO 0.19 -0.27 0.40 -0.13 0.23 0.00 0.00 176.35 176.77 3f1h s ARG 103 N 2.81 3.03 -1.01 1.70 0.52 -1.04 -4.85 118.95 120.11 3f1h s ARG 103 Ca 0.18 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 54.22 3f1h s ARG 103 Cb -0.14 -4.02 0.13 0.00 0.52 0.00 0.00 34.95 31.43 3f1h s ARG 103 CO -0.21 -0.90 1.24 -0.06 0.02 0.00 0.00 175.30 175.39 3f1h s PHE 104 N 1.93 3.13 -0.02 -0.53 0.08 -1.26 -0.30 117.98 121.02 3f1h s PHE 104 Ca 0.08 -1.50 -0.16 0.00 0.12 0.00 0.00 56.93 55.47 3f1h s PHE 104 Cb -0.20 -4.34 -0.06 0.00 -0.57 0.00 0.00 43.02 37.86 3f1h s PHE 104 CO 0.11 -1.52 0.45 0.54 -0.10 0.00 0.00 175.22 174.69 3f1h s VAL 105 N 2.71 5.02 0.00 -0.44 0.11 -0.53 -4.91 120.40 122.35 3f1h s VAL 105 Ca 0.37 0.92 0.00 0.00 -2.93 0.00 0.00 61.98 60.33 3f1h s VAL 105 Cb -0.04 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 3f1h s VAL 105 CO -0.07 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 3f1h n GLY 106 N 2.14 1.81 3.41 6.54 0.00 -1.26 -3.56 105.19 114.27 3f1h n GLY 106 Ca -0.12 -1.40 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 3f1h n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f1h s THR 107 N -0.09 4.93 1.00 2.61 -4.23 -1.26 -4.38 115.64 114.22 3f1h s THR 107 Ca 0.00 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 3f1h s THR 107 Cb 0.00 -4.33 0.13 0.00 1.34 0.00 0.00 72.50 69.64 3f1h s THR 107 CO 0.00 -0.86 0.73 -2.65 -0.54 0.00 0.00 174.62 171.30 3f1h n PRO 108 N 6.02 -0.87 -0.33 3.99 -0.02 -1.25 -4.60 135.00 137.94 3f1h n PRO 108 Ca -0.09 -0.21 0.22 0.00 -2.02 0.00 0.00 63.50 61.40 3f1h n PRO 108 Cb 0.44 -2.08 0.49 0.00 -0.02 0.00 0.00 33.50 32.32 3f1h n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1h h ALA 109 N -1.94 2.16 0.19 3.55 0.00 -0.55 -0.87 119.26 121.81 3f1h h ALA 109 Ca -0.47 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3f1h h ALA 109 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3f1h h ALA 109 CO 0.40 -0.58 -0.09 0.78 0.00 0.00 0.00 179.25 179.76 3f1h h GLY 110 N 0.43 -0.27 -0.03 0.00 0.00 -1.69 -1.80 103.07 99.70 3f1h h GLY 110 Ca 0.60 0.10 0.23 0.00 0.00 0.00 0.00 47.33 48.26 3f1h h GLY 110 CO -0.32 -0.10 0.62 -2.08 0.00 0.00 0.00 176.54 174.66 3f1h h VAL 111 N -0.69 0.60 0.41 4.60 2.07 -1.44 -0.58 116.25 121.22 3f1h h VAL 111 Ca -0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3f1h h VAL 111 Cb 0.49 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3f1h h VAL 111 CO 0.04 0.11 -0.20 -0.09 0.02 0.00 0.00 177.57 177.45 3f1h h ARG 112 N 0.58 -0.53 -1.00 1.57 2.43 -1.28 -3.06 114.38 113.08 3f1h h ARG 112 Ca 0.60 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 3f1h h ARG 112 Cb 1.19 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3f1h h ARG 112 CO -0.38 -0.23 0.00 0.00 -1.51 0.00 0.00 179.97 177.85 3f1h n ALA 113 N -2.52 2.49 -1.39 2.80 0.00 -0.36 -4.88 120.51 116.65 3f1h n ALA 113 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3f1h n ALA 113 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3f1h n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 114 N 0.32 -4.22 0.00 0.00 0.00 -0.41 -5.00 105.19 95.89 3f1h n GLY 114 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3f1h n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 115 N 0.79 -1.13 2.77 -0.02 0.00 -1.10 -4.73 105.19 101.76 3f1h n GLY 115 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 3f1h n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 116 N -3.00 0.09 -0.54 1.61 1.01 -0.27 -4.62 120.40 114.68 3f1h s VAL 116 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 3f1h s VAL 116 Cb 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.17 3f1h s VAL 116 CO 0.00 0.16 1.13 -0.22 0.00 0.00 0.00 175.10 176.16 3f1h s LEU 117 N 1.40 3.62 -0.57 3.92 2.96 -1.26 0.16 118.68 128.92 3f1h s LEU 117 Ca -0.05 0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.83 3f1h s LEU 117 Cb -0.13 -3.26 0.06 0.00 0.50 0.00 0.00 46.19 43.37 3f1h s LEU 117 CO -0.03 -1.35 0.79 -1.58 -1.32 0.00 0.00 176.35 172.86 3f1h s GLN 118 N 4.60 3.15 -1.06 1.98 -0.44 0.70 -4.95 119.66 123.65 3f1h s GLN 118 Ca 0.43 -0.81 -0.19 0.00 -2.50 0.00 0.00 55.36 52.29 3f1h s GLN 118 Cb -0.08 -4.15 0.10 0.00 -1.64 0.00 0.00 33.01 27.24 3f1h s GLN 118 CO 0.27 -1.47 1.37 -1.83 0.50 0.00 0.00 175.29 174.13 3f1h s GLU 119 N 3.26 3.73 0.26 1.67 -1.05 -1.26 0.60 118.70 125.91 3f1h s GLU 119 Ca 0.20 -1.71 -0.02 0.00 -0.15 0.00 0.00 54.97 53.28 3f1h s GLU 119 Cb -0.18 -5.18 0.55 0.00 -0.44 0.00 0.00 34.13 28.88 3f1h s GLU 119 CO 0.12 -1.99 1.67 0.82 0.95 0.00 0.00 175.26 176.84 3f1h h ILE 120 N 5.93 0.45 -1.92 1.83 1.08 -1.73 -3.41 117.51 119.75 3f1h h ILE 120 Ca 0.24 -0.09 -0.56 0.00 -0.39 0.00 0.00 64.86 64.06 3f1h h ILE 120 Cb 0.97 0.16 -0.09 0.00 -3.07 0.00 0.00 36.82 34.80 3f1h h ILE 120 CO 1.29 0.05 -0.58 -1.00 -0.69 0.00 0.00 178.15 177.22 3f1h s HIS 121 N -6.01 2.64 -0.01 1.37 3.76 0.88 -4.97 115.29 112.95 3f1h s HIS 121 Ca -0.12 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 3f1h s HIS 121 Cb 0.23 -1.54 0.02 0.00 1.11 0.00 0.00 32.58 32.39 3f1h s HIS 121 CO 0.76 0.42 0.77 0.54 -0.85 0.00 0.00 174.74 176.38 3f1h n ARG 122 N -1.05 0.29 0.00 1.40 1.74 -1.26 -4.90 116.66 112.88 3f1h n ARG 122 Ca -0.04 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 3f1h n ARG 122 Cb 0.62 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 3f1h n ARG 122 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3f1h n ASP 123 N -0.12 0.00 -3.90 0.55 5.68 -1.26 -3.13 116.55 114.36 3f1h n ASP 123 Ca 0.01 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.12 3f1h n ASP 123 Cb 0.57 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.39 3f1h n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3f1h s ILE 124 N -2.00 0.41 -0.32 2.12 1.01 0.59 -4.78 121.20 118.24 3f1h s ILE 124 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 3f1h s ILE 124 Cb 0.00 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 3f1h s ILE 124 CO 0.00 0.17 1.61 -0.22 0.00 0.00 0.00 174.94 176.49 3f1h s LEU 125 N 0.52 3.67 -0.02 2.97 0.20 -1.26 -0.81 118.68 123.95 3f1h s LEU 125 Ca -0.06 1.27 0.00 0.00 0.69 0.00 0.00 54.13 56.03 3f1h s LEU 125 Cb -0.10 -3.53 0.02 0.00 -0.43 0.00 0.00 46.19 42.15 3f1h s LEU 125 CO -0.00 -1.46 0.02 0.68 -0.29 0.00 0.00 176.35 175.30 3f1h s VAL 126 N 5.82 0.00 0.32 1.68 -7.23 -0.96 -0.31 120.40 119.72 3f1h s VAL 126 Ca 0.71 0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.72 3f1h s VAL 126 Cb -0.21 -0.10 -0.10 0.00 0.56 0.00 0.00 36.38 36.54 3f1h s VAL 126 CO 0.31 0.07 1.25 -0.75 -0.31 0.00 0.00 175.10 175.67 3f1h s LYS 127 N 0.74 4.42 -0.06 4.82 2.20 0.79 -2.06 119.74 130.59 3f1h s LYS 127 Ca -0.06 2.09 -0.31 0.00 -0.36 0.00 0.00 55.97 57.33 3f1h s LYS 127 Cb -0.09 -3.09 0.11 0.00 -1.51 0.00 0.00 37.83 33.25 3f1h s LYS 127 CO -0.02 -0.09 0.98 0.54 -0.36 0.00 0.00 175.35 176.41 3f1h s VAL 128 N -1.16 0.00 0.17 4.02 0.11 0.10 -2.71 120.40 120.94 3f1h s VAL 128 Ca 0.48 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.44 3f1h s VAL 128 Cb -0.37 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.41 3f1h s VAL 128 CO 0.49 0.00 0.49 -0.55 -3.33 0.00 0.00 175.10 172.20 3f1h s SER 129 N -2.38 6.63 0.58 3.54 0.15 -1.26 0.84 113.70 121.80 3f1h s SER 129 Ca 0.06 0.86 0.29 0.00 0.70 0.00 0.00 55.95 57.86 3f1h s SER 129 Cb -0.01 -2.20 1.45 0.00 -1.71 0.00 0.00 66.02 63.55 3f1h s SER 129 CO -0.08 0.02 1.87 -0.65 1.20 0.00 0.00 173.24 175.61 3f1h h PRO 130 N 2.96 0.00 -0.45 5.44 0.11 -1.82 0.37 132.00 138.60 3f1h h PRO 130 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3f1h h PRO 130 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3f1h h PRO 130 CO 0.69 0.00 0.25 0.00 -0.21 0.00 0.00 178.00 178.73 3f1h h ARG 131 N 0.00 0.63 -5.62 1.05 -0.00 -1.93 -3.41 114.38 105.11 3f1h h ARG 131 Ca 0.27 -0.07 -0.60 0.00 -0.50 0.00 0.00 59.98 59.07 3f1h h ARG 131 Cb 1.35 -0.12 -0.10 0.00 0.00 0.00 0.00 29.97 31.09 3f1h h ARG 131 CO -0.00 0.50 0.18 -0.80 0.00 0.00 0.00 179.97 179.85 3f1h s ASN 132 N -5.75 6.66 -0.40 7.04 0.01 0.13 -4.95 114.94 117.68 3f1h s ASN 132 Ca -0.13 0.81 0.10 0.00 -0.71 0.00 0.00 52.86 52.93 3f1h s ASN 132 Cb 0.11 -2.36 0.33 0.00 0.41 0.00 0.00 41.25 39.75 3f1h s ASN 132 CO 0.75 -0.34 0.84 -0.38 -1.51 0.00 0.00 177.10 176.45 3f1h n ILE 133 N 4.97 -0.15 -1.48 0.60 5.41 -1.26 -4.47 119.36 122.98 3f1h n ILE 133 Ca -0.00 -3.56 -0.53 0.00 1.00 0.00 0.00 62.75 59.66 3f1h n ILE 133 Cb 0.49 0.20 -0.08 0.00 -0.71 0.00 0.00 39.64 39.54 3f1h n ILE 133 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3f1h n PRO 134 N 0.42 0.98 0.31 0.38 -0.04 -1.26 -4.76 135.00 131.02 3f1h n PRO 134 Ca 0.19 0.29 0.15 0.00 -0.04 0.00 0.00 63.50 64.09 3f1h n PRO 134 Cb 0.66 -2.26 0.75 0.00 -0.04 0.00 0.00 33.50 32.61 3f1h n PRO 134 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3f1h h GLU 135 N 10.80 0.00 0.00 0.54 5.08 -1.99 -3.44 114.58 125.57 3f1h h GLU 135 Ca -0.29 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3f1h h GLU 135 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3f1h h GLU 135 CO 1.02 0.00 0.32 1.97 -1.00 0.00 0.00 179.01 181.31 3f1h n PHE 136 N -2.93 -1.07 -3.47 4.33 1.16 -1.26 -4.63 117.46 109.60 3f1h n PHE 136 Ca -0.01 -0.73 -0.20 0.00 -1.87 0.00 0.00 57.45 54.64 3f1h n PHE 136 Cb 0.46 0.36 -0.12 0.00 -1.61 0.00 0.00 39.48 38.56 3f1h n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3f1h s ILE 137 N -2.30 -0.30 0.81 1.97 1.09 -1.26 -4.95 121.20 116.26 3f1h s ILE 137 Ca 0.12 -0.40 -0.12 0.00 -1.10 0.00 0.00 60.65 59.16 3f1h s ILE 137 Cb -0.02 -0.86 0.08 0.00 -1.06 0.00 0.00 42.46 40.60 3f1h s ILE 137 CO 0.03 -0.42 1.13 -1.61 -0.10 0.00 0.00 174.94 173.97 3f1h s GLU 138 N 2.29 1.83 -0.07 2.79 2.02 -1.26 -2.49 118.70 123.81 3f1h s GLU 138 Ca 0.08 1.43 -0.03 0.00 0.02 0.00 0.00 54.97 56.47 3f1h s GLU 138 Cb -0.15 -1.83 0.04 0.00 0.10 0.00 0.00 34.13 32.29 3f1h s GLU 138 CO -0.25 -2.00 0.15 0.08 0.02 0.00 0.00 175.26 173.25 3f1h s VAL 139 N -2.60 -0.14 -0.92 2.63 1.01 0.59 -4.36 120.40 116.60 3f1h s VAL 139 Ca 0.66 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.89 3f1h s VAL 139 Cb -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3f1h s VAL 139 CO 0.53 0.11 0.47 -0.90 0.00 0.00 0.00 175.10 175.31 3f1h n ASP 140 N 4.68 1.01 -4.52 3.32 3.85 -1.26 -1.46 116.55 122.18 3f1h n ASP 140 Ca -0.17 -1.76 -0.26 0.00 -0.71 0.00 0.00 54.79 51.89 3f1h n ASP 140 Cb 0.51 -0.44 -0.15 0.00 -1.35 0.00 0.00 41.12 39.69 3f1h n ASP 140 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3f1h n VAL 141 N 0.10 -0.01 0.00 2.12 3.14 -1.23 -3.99 118.33 118.45 3f1h n VAL 141 Ca 0.00 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 3f1h n VAL 141 Cb 0.24 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.11 3f1h n VAL 141 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3f1h n SER 142 N 10.91 0.00 -0.67 6.55 7.64 -1.26 -3.89 113.62 132.90 3f1h n SER 142 Ca 0.59 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3f1h n SER 142 Cb 0.23 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.47 3f1h n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f1h n GLY 143 N -0.11 1.69 3.51 0.23 0.00 -1.26 -2.98 105.19 106.27 3f1h n GLY 143 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3f1h n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1h s LEU 144 N -0.25 4.61 0.64 0.99 2.01 -1.26 -4.88 118.68 120.54 3f1h s LEU 144 Ca 0.05 -0.40 -0.05 0.00 0.01 0.00 0.00 54.13 53.73 3f1h s LEU 144 Cb 0.04 -2.52 0.04 0.00 0.01 0.00 0.00 46.19 43.76 3f1h s LEU 144 CO 0.01 -0.59 0.94 -0.70 1.01 0.00 0.00 176.35 177.02 3f1h s GLU 145 N 2.36 2.53 -0.04 1.70 2.56 -1.26 -0.30 118.70 126.25 3f1h s GLU 145 Ca 0.16 -0.22 -0.30 0.00 0.00 0.00 0.00 54.97 54.62 3f1h s GLU 145 Cb -0.16 -2.25 -0.07 0.00 2.00 0.00 0.00 34.13 33.65 3f1h s GLU 145 CO 0.15 -0.96 1.92 0.96 -0.56 0.00 0.00 175.26 176.77 3f1h s ILE 146 N -3.08 3.18 0.00 -3.70 -4.36 -1.26 -1.60 121.20 110.38 3f1h s ILE 146 Ca 0.57 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 61.17 3f1h s ILE 146 Cb -0.11 -3.16 0.00 0.00 1.25 0.00 0.00 42.46 40.45 3f1h s ILE 146 CO 0.44 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.19 3f1h n GLY 147 N 4.68 0.65 3.99 6.27 0.00 -1.07 -5.01 105.19 114.70 3f1h n GLY 147 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 3f1h n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1h s ASP 148 N -2.39 5.41 0.16 1.61 1.01 -0.63 -4.94 116.67 116.91 3f1h s ASP 148 Ca 0.00 -0.19 -0.12 0.00 0.71 0.00 0.00 52.55 52.95 3f1h s ASP 148 Cb 0.00 -0.76 0.01 0.00 1.01 0.00 0.00 42.92 43.18 3f1h s ASP 148 CO 0.00 -1.01 0.35 -0.94 0.21 0.00 0.00 175.17 173.78 3f1h s SER 149 N -4.41 -0.05 -0.19 0.27 1.04 -1.26 -2.10 113.70 107.00 3f1h s SER 149 Ca 0.57 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 3f1h s SER 149 Cb -0.10 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.54 3f1h s SER 149 CO 0.36 -0.91 0.01 -0.76 0.98 0.00 0.00 173.24 172.93 3f1h s LEU 150 N -2.91 1.37 0.00 2.42 1.43 -0.51 -4.98 118.68 115.50 3f1h s LEU 150 Ca 0.12 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3f1h s LEU 150 Cb 0.02 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.55 3f1h s LEU 150 CO -0.03 -0.28 0.00 1.41 0.23 0.00 0.00 176.35 177.68 3f1h n HIS 151 N 4.99 -3.02 -0.08 0.29 8.25 -1.26 0.16 115.22 124.55 3f1h n HIS 151 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 3f1h n HIS 151 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 3f1h n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f1h h ALA 152 N -0.73 0.56 -0.76 -1.41 0.00 -1.02 -3.18 119.26 112.73 3f1h h ALA 152 Ca 0.00 -0.49 0.22 0.00 0.00 0.00 0.00 54.91 54.64 3f1h h ALA 152 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3f1h h ALA 152 CO 0.00 0.68 0.82 0.66 0.00 0.00 0.00 179.25 181.40 3f1h h SER 153 N 0.66 0.00 -3.36 0.00 4.64 -1.78 -3.25 113.55 110.46 3f1h h SER 153 Ca 0.03 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.63 3f1h h SER 153 Cb 1.07 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.89 3f1h h SER 153 CO 0.11 0.00 -0.41 -1.81 -0.87 0.00 0.00 176.83 173.85 3f1h s ASP 154 N -4.47 5.78 -0.00 4.97 -0.00 -1.20 -5.05 116.67 116.69 3f1h s ASP 154 Ca -0.04 -1.59 -0.24 0.00 -0.00 0.00 0.00 52.55 50.69 3f1h s ASP 154 Cb 0.16 -2.04 0.05 0.00 -0.00 0.00 0.00 42.92 41.08 3f1h s ASP 154 CO 0.54 -0.62 0.53 -0.76 -0.00 0.00 0.00 175.17 174.86 3f1h s LEU 155 N 1.46 -0.06 -0.46 1.23 1.43 -1.23 -4.80 118.68 116.25 3f1h s LEU 155 Ca 0.04 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3f1h s LEU 155 Cb -0.24 2.07 0.29 0.00 0.03 0.00 0.00 46.19 48.34 3f1h s LEU 155 CO 0.02 -0.61 2.06 1.17 0.23 0.00 0.00 176.35 179.22 3f1h n LYS 156 N 0.80 2.17 -1.55 1.70 4.81 -1.26 -5.00 118.16 119.82 3f1h n LYS 156 Ca -0.19 -2.26 -0.47 0.00 -0.87 0.00 0.00 58.31 54.52 3f1h n LYS 156 Cb 0.58 -1.89 -0.05 0.00 0.02 0.00 0.00 35.03 33.69 3f1h n LYS 156 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3f1h n LEU 157 N -0.10 2.89 -4.20 3.14 4.32 -1.26 -4.87 117.00 116.92 3f1h n LEU 157 Ca 0.43 0.39 -0.26 0.00 -0.02 0.00 0.00 56.01 56.55 3f1h n LEU 157 Cb 0.60 -1.42 0.22 0.00 -1.62 0.00 0.00 43.42 41.20 3f1h n LEU 157 CO 0.53 -0.60 0.10 -0.81 -1.22 0.00 0.00 177.39 175.39 3f1h n PRO 158 N 8.27 -3.09 -2.25 3.23 -0.04 -1.26 -4.88 135.00 134.97 3f1h n PRO 158 Ca 0.33 -0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 62.48 3f1h n PRO 158 Cb 0.35 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 3f1h n PRO 158 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3f1h s PRO 159 N -4.14 4.44 0.00 0.54 0.02 -1.26 -3.00 135.00 131.60 3f1h s PRO 159 Ca 0.55 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3f1h s PRO 159 Cb -0.12 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3f1h s PRO 159 CO 0.52 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 177.48 3f1h n GLY 160 N 1.60 0.68 3.28 0.52 0.00 -1.26 -4.96 105.19 105.05 3f1h n GLY 160 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 3f1h n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 161 N -2.99 5.14 0.16 1.61 1.01 -1.16 -4.57 120.40 119.61 3f1h s VAL 161 Ca 0.00 -2.37 -0.11 0.00 0.00 0.00 0.00 61.98 59.50 3f1h s VAL 161 Cb 0.00 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 3f1h s VAL 161 CO 0.00 -0.96 0.51 -1.83 0.00 0.00 0.00 175.10 172.81 3f1h s GLU 162 N 0.41 3.85 0.49 2.72 -1.05 -1.10 -4.70 118.70 119.31 3f1h s GLU 162 Ca 0.15 0.31 -0.18 0.00 -0.15 0.00 0.00 54.97 55.10 3f1h s GLU 162 Cb -0.16 -2.84 -0.09 0.00 -0.44 0.00 0.00 34.13 30.61 3f1h s GLU 162 CO -0.06 0.44 0.98 -0.48 0.95 0.00 0.00 175.26 177.09 3f1h s LEU 163 N -2.30 3.73 -0.06 1.83 2.34 -1.26 -0.15 118.68 122.81 3f1h s LEU 163 Ca 0.40 1.63 0.21 0.00 0.06 0.00 0.00 54.13 56.43 3f1h s LEU 163 Cb -0.13 -4.52 -0.30 0.00 -0.56 0.00 0.00 46.19 40.67 3f1h s LEU 163 CO 0.20 -0.53 0.41 0.00 -1.06 0.00 0.00 176.35 175.37 3f1h n ALA 164 N -1.26 2.47 -1.00 1.48 0.00 0.58 -4.51 120.51 118.27 3f1h n ALA 164 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3f1h n ALA 164 Cb 0.54 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3f1h n ALA 164 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3f1h n VAL 165 N -2.41 0.00 -3.06 0.00 0.24 -1.14 -5.02 118.33 106.95 3f1h n VAL 165 Ca -0.11 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 3f1h n VAL 165 Cb 0.72 -1.29 -0.05 0.00 -1.47 0.00 0.00 33.84 31.75 3f1h n VAL 165 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3f1h s SER 166 N -1.35 6.63 0.53 -1.34 0.15 -1.26 -4.98 113.70 112.08 3f1h s SER 166 Ca 0.00 1.14 0.35 0.00 0.70 0.00 0.00 55.95 58.14 3f1h s SER 166 Cb 0.00 -2.32 1.56 0.00 -1.71 0.00 0.00 66.02 63.55 3f1h s SER 166 CO 0.00 -0.27 2.03 1.55 1.20 0.00 0.00 173.24 177.75 3f1h h PRO 167 N 1.83 0.00 0.11 5.44 0.13 -1.96 -3.24 132.00 134.30 3f1h h PRO 167 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 3f1h h PRO 167 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3f1h h PRO 167 CO 0.65 0.00 -1.96 0.39 -0.23 0.00 0.00 178.00 176.85 3f1h n GLU 168 N -2.95 0.73 -1.61 0.86 4.71 -1.26 -2.51 120.64 118.61 3f1h n GLU 168 Ca -0.00 0.29 -0.61 0.00 -0.01 0.00 0.00 57.16 56.83 3f1h n GLU 168 Cb 0.23 -1.70 -0.08 0.00 -1.01 0.00 0.00 31.44 28.88 3f1h n GLU 168 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3f1h n GLU 169 N -3.57 0.26 -2.77 3.49 4.07 -1.22 -4.24 120.64 116.65 3f1h n GLU 169 Ca -0.33 0.09 -0.35 0.00 -0.06 0.00 0.00 57.16 56.51 3f1h n GLU 169 Cb 1.01 -1.63 -0.06 0.00 -0.06 0.00 0.00 31.44 30.69 3f1h n GLU 169 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3f1h s THR 170 N 1.38 4.22 -0.17 6.31 -4.23 -1.26 -0.66 115.64 121.23 3f1h s THR 170 Ca 0.95 1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 63.10 3f1h s THR 170 Cb -1.28 -3.82 -0.23 0.00 1.34 0.00 0.00 72.50 68.51 3f1h s THR 170 CO 0.65 -0.05 0.16 -0.38 -0.54 0.00 0.00 174.62 174.46 3f1h n ILE 171 N 0.04 1.65 -3.90 2.99 2.08 0.43 -4.58 119.36 118.07 3f1h n ILE 171 Ca 0.04 -0.64 -0.03 0.00 0.56 0.00 0.00 62.75 62.68 3f1h n ILE 171 Cb 0.51 -1.52 0.02 0.00 -0.75 0.00 0.00 39.64 37.90 3f1h n ILE 171 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3f1h n ALA 172 N -3.05 -2.73 -3.58 -1.39 0.00 -0.97 -0.08 120.51 108.71 3f1h n ALA 172 Ca -0.36 -1.01 -0.07 0.00 0.00 0.00 0.00 53.44 52.00 3f1h n ALA 172 Cb 1.03 0.54 -0.04 0.00 0.00 0.00 0.00 19.45 20.99 3f1h n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h s ALA 173 N -2.03 -1.98 -0.04 0.00 0.00 0.20 -1.42 121.76 116.49 3f1h s ALA 173 Ca 0.23 1.55 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 3f1h s ALA 173 Cb -0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3f1h s ALA 173 CO 0.05 -0.43 0.40 0.08 0.00 0.00 0.00 175.76 175.86 3f1h s VAL 174 N -1.73 5.10 0.06 0.00 1.01 -0.89 0.25 120.40 124.20 3f1h s VAL 174 Ca 0.04 0.81 0.04 0.00 0.00 0.00 0.00 61.98 62.87 3f1h s VAL 174 Cb -0.01 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3f1h s VAL 174 CO -0.03 0.52 -0.12 0.68 0.00 0.00 0.00 175.10 176.14 3f1h s VAL 175 N -0.65 0.95 0.63 2.92 -7.23 0.12 -2.60 120.40 114.55 3f1h s VAL 175 Ca 0.23 -1.20 -0.18 0.00 -1.81 0.00 0.00 61.98 59.03 3f1h s VAL 175 Cb -0.16 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 3f1h s VAL 175 CO 0.12 -0.24 0.94 -2.65 -0.31 0.00 0.00 175.10 172.96 3f1h n PRO 176 N 1.41 0.78 -3.53 4.82 -0.02 -1.26 -1.11 135.00 136.09 3f1h n PRO 176 Ca -0.21 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 3f1h n PRO 176 Cb 0.54 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 3f1h n PRO 176 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3f1h s PRO 177 N -2.88 3.85 0.41 0.52 0.05 -1.26 -4.73 135.00 130.95 3f1h s PRO 177 Ca 0.76 -0.33 -0.25 0.00 0.05 0.00 0.00 61.00 61.22 3f1h s PRO 177 Cb -0.40 -3.70 -0.08 0.00 0.05 0.00 0.00 34.50 30.37 3f1h s PRO 177 CO 0.47 -0.27 1.23 -1.83 0.05 0.00 0.00 177.00 176.66 3f1h s GLU 178 N 1.82 3.99 0.17 4.56 -1.05 -1.26 -5.01 118.70 121.92 3f1h s GLU 178 Ca 0.08 1.99 -0.00 0.00 -0.15 0.00 0.00 54.97 56.89 3f1h s GLU 178 Cb -0.16 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 3f1h s GLU 178 CO 0.11 -0.42 0.22 -0.40 0.95 0.00 0.00 175.26 175.72 3f1h n ASP 179 N 0.07 -0.62 0.07 0.83 3.85 -1.26 -5.07 116.55 114.42 3f1h n ASP 179 Ca 0.04 -1.91 -0.07 0.00 -0.71 0.00 0.00 54.79 52.14 3f1h n ASP 179 Cb 0.45 1.17 -0.08 0.00 -1.35 0.00 0.00 41.12 41.31 3f1h n ASP 179 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 3f1h h VAL 180 N 1.49 1.66 -0.16 2.12 -1.51 -2.02 -3.10 116.25 114.74 3f1h h VAL 180 Ca -0.13 -3.21 -0.06 0.00 -1.23 0.00 0.00 66.70 62.07 3f1h h VAL 180 Cb 0.57 2.75 -0.01 0.00 -2.13 0.00 0.00 31.29 32.47 3f1h h VAL 180 CO 0.17 0.92 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.94 3f1h h GLU 181 N 0.01 0.26 -0.40 5.19 4.39 -2.00 -1.32 114.58 120.71 3f1h h GLU 181 Ca -0.02 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.63 3f1h h GLU 181 Cb 1.69 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.29 3f1h h GLU 181 CO 0.13 0.43 0.26 -0.22 -1.16 0.00 0.00 179.01 178.45 3f1h h LYS 182 N 0.24 0.46 -0.62 2.33 3.64 -1.97 -2.93 116.57 117.73 3f1h h LYS 182 Ca 0.05 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3f1h h LYS 182 Cb 0.44 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3f1h h LYS 182 CO 0.03 0.30 0.37 -0.07 -2.27 0.00 0.00 179.45 177.81 3f1h h LEU 183 N 0.47 0.60 -0.49 5.20 3.38 -1.31 -1.60 115.31 121.56 3f1h h LEU 183 Ca 0.15 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.22 3f1h h LEU 183 Cb 0.04 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3f1h h LEU 183 CO -0.04 0.42 0.05 0.00 0.09 0.00 0.00 178.44 178.96 3f1h h ALA 184 N 1.28 0.51 -0.16 1.53 0.00 -1.60 -1.66 119.26 119.16 3f1h h ALA 184 Ca 0.25 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 3f1h h ALA 184 Cb 0.04 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3f1h h ALA 184 CO -0.11 -0.35 -0.09 1.49 0.00 0.00 0.00 179.25 180.19 3f1h h GLU 185 N 0.17 0.34 0.52 0.00 4.57 -1.58 -2.95 114.58 115.66 3f1h h GLU 185 Ca 0.25 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3f1h h GLU 185 Cb 0.36 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3f1h h GLU 185 CO -0.37 0.66 -0.45 0.93 -1.18 0.00 0.00 179.01 178.60 3f1h h GLU 186 N 0.01 -0.92 0.00 1.92 5.08 -0.90 -2.70 114.58 117.07 3f1h h GLU 186 Ca 0.03 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3f1h h GLU 186 Cb 0.57 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3f1h h GLU 186 CO 0.03 -0.61 -0.08 0.00 -1.00 0.00 0.00 179.01 177.35 3f1h h ALA 187 N -1.06 1.27 0.17 3.43 0.00 -1.42 -3.22 119.26 118.42 3f1h h ALA 187 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3f1h h ALA 187 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3f1h h ALA 187 CO -0.02 0.09 -0.08 0.00 0.00 0.00 0.00 179.25 179.24 3f1h h ALA 188 N 1.92 -0.54 0.00 0.00 0.00 -1.31 -3.52 119.26 115.82 3f1h h ALA 188 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3f1h h ALA 188 Cb 0.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3f1h h ALA 188 CO 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.73