#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s ARG 4 N 0.00 2.61 -0.28 -0.72 0.52 -1.26 0.12 118.95 119.95 3f1f s ARG 4 Ca 0.00 -1.11 -0.22 0.00 -0.52 0.00 0.00 55.73 53.88 3f1f s ARG 4 Cb 0.00 -2.43 0.09 0.00 0.52 0.00 0.00 34.95 33.13 3f1f s ARG 4 CO 0.00 0.43 0.82 -1.17 0.02 0.00 0.00 175.30 175.40 3f1f s LEU 5 N -3.34 -0.69 -0.42 2.53 0.20 0.53 -4.85 118.68 112.65 3f1f s LEU 5 Ca 0.30 1.25 -0.24 0.00 0.69 0.00 0.00 54.13 56.13 3f1f s LEU 5 Cb -0.09 2.23 0.02 0.00 -0.43 0.00 0.00 46.19 47.92 3f1f s LEU 5 CO 0.21 -0.21 0.85 -0.75 -0.29 0.00 0.00 176.35 176.17 3f1f s LYS 6 N 0.68 3.60 0.74 1.98 2.47 -1.26 -0.71 119.74 127.23 3f1f s LYS 6 Ca -0.02 0.19 -0.04 0.00 -1.56 0.00 0.00 55.97 54.54 3f1f s LYS 6 Cb -0.05 -3.88 0.12 0.00 -1.46 0.00 0.00 37.83 32.56 3f1f s LYS 6 CO -0.07 -1.06 1.03 0.00 0.16 0.00 0.00 175.35 175.41 3f1f s ALA 7 N 3.43 3.42 -0.01 3.13 0.00 -0.69 -4.53 121.76 126.50 3f1f s ALA 7 Ca 0.34 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 3f1f s ALA 7 Cb -0.12 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.82 3f1f s ALA 7 CO 0.22 -1.53 0.27 0.71 0.00 0.00 0.00 175.76 175.42 3f1f s TYR 8 N -3.24 -0.13 0.27 0.00 1.51 -1.06 -4.60 117.35 110.11 3f1f s TYR 8 Ca 0.66 0.18 -0.22 0.00 -1.01 0.00 0.00 57.07 56.69 3f1f s TYR 8 Cb -0.06 0.06 -0.09 0.00 -0.11 0.00 0.00 41.96 41.76 3f1f s TYR 8 CO 0.45 -0.36 0.81 0.71 -1.11 0.00 0.00 175.55 176.05 3f1f s TYR 9 N -1.31 3.63 0.26 2.71 1.51 -1.26 -1.94 117.35 120.95 3f1f s TYR 9 Ca -0.14 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 57.49 3f1f s TYR 9 Cb -0.06 -2.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.01 3f1f s TYR 9 CO 0.04 0.26 -0.01 0.50 -1.11 0.00 0.00 175.55 175.23 3f1f s ARG 10 N -2.11 1.44 0.00 -0.62 3.52 -0.14 -4.87 118.95 116.17 3f1f s ARG 10 Ca 0.47 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 3f1f s ARG 10 Cb -0.17 -0.78 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 3f1f s ARG 10 CO 0.21 -0.08 0.00 -1.91 -0.81 0.00 0.00 175.30 172.71 3f1f n GLU 11 N -0.50 0.00 0.12 5.12 4.07 -1.26 -4.62 120.64 123.56 3f1f n GLU 11 Ca -0.05 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.18 3f1f n GLU 11 Cb 0.64 0.00 0.25 0.00 -0.06 0.00 0.00 31.44 32.27 3f1f n GLU 11 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3f1f h GLY 12 N 0.00 0.00 -1.97 8.31 0.00 -2.01 -3.48 103.07 103.92 3f1f h GLY 12 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3f1f h GLY 12 CO 0.00 0.00 0.05 1.18 0.00 0.00 0.00 176.54 177.77 3f1f n GLU 13 N -2.44 0.24 -2.56 4.80 4.71 -1.26 -4.90 120.64 119.22 3f1f n GLU 13 Ca 0.04 0.14 -0.43 0.00 -0.01 0.00 0.00 57.16 56.91 3f1f n GLU 13 Cb 0.47 -2.21 -0.02 0.00 -1.01 0.00 0.00 31.44 28.66 3f1f n GLU 13 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3f1f s LYS 14 N -3.63 4.35 0.26 3.49 1.02 -1.26 -4.92 119.74 119.06 3f1f s LYS 14 Ca 0.70 1.54 -0.02 0.00 0.02 0.00 0.00 55.97 58.22 3f1f s LYS 14 Cb -0.31 -3.59 0.48 0.00 -0.52 0.00 0.00 37.83 33.89 3f1f s LYS 14 CO 0.54 -0.46 1.81 -1.35 -0.92 0.00 0.00 175.35 174.97 3f1f h PRO 15 N 7.43 0.81 -0.65 -1.68 0.11 -1.97 0.55 132.00 136.61 3f1f h PRO 15 Ca -0.30 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.83 3f1f h PRO 15 Cb 1.14 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.00 3f1f h PRO 15 CO 0.90 0.54 0.34 0.66 -0.21 0.00 0.00 178.00 180.23 3f1f h SER 16 N 0.84 0.49 -0.58 -2.05 4.64 -1.98 -1.85 113.55 113.06 3f1f h SER 16 Ca 0.45 0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.73 3f1f h SER 16 Cb 0.46 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3f1f h SER 16 CO -0.27 0.31 0.07 0.00 -0.87 0.00 0.00 176.83 176.07 3f1f h ALA 17 N 1.36 0.99 -0.23 5.18 0.00 -1.33 -2.69 119.26 122.54 3f1f h ALA 17 Ca 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f1f h ALA 17 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3f1f h ALA 17 CO -0.21 0.63 0.14 -0.07 0.00 0.00 0.00 179.25 179.74 3f1f h LEU 18 N 0.93 0.28 -1.55 0.00 4.07 -0.65 -2.05 115.31 116.33 3f1f h LEU 18 Ca 0.18 -0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.19 3f1f h LEU 18 Cb 0.44 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 3f1f h LEU 18 CO 0.01 0.25 0.44 0.03 -1.08 0.00 0.00 178.44 178.09 3f1f h ARG 19 N 0.28 0.48 -0.57 1.13 3.08 -1.20 -0.87 114.38 116.71 3f1f h ARG 19 Ca 0.08 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.19 3f1f h ARG 19 Cb 0.02 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.89 3f1f h ARG 19 CO -0.02 0.32 0.18 0.00 -1.07 0.00 0.00 179.97 179.39 3f1f h ARG 20 N 0.50 0.34 -0.10 0.04 -0.00 -1.04 -2.72 114.38 111.39 3f1f h ARG 20 Ca 0.31 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.98 59.68 3f1f h ARG 20 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.43 3f1f h ARG 20 CO -0.10 0.22 -0.26 0.00 0.00 0.00 0.00 179.97 179.84 3f1f h ALA 21 N 1.41 0.17 0.00 0.04 0.00 -1.12 -3.48 119.26 116.28 3f1f h ALA 21 Ca 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3f1f h ALA 21 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3f1f h ALA 21 CO -0.32 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3f1f n GLY 22 N 0.52 -0.46 3.51 0.00 0.00 -0.65 -5.11 105.19 102.99 3f1f n GLY 22 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3f1f n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1f s LYS 23 N 0.00 3.26 -0.03 1.61 -0.14 -0.95 -1.53 119.74 121.96 3f1f s LYS 23 Ca 0.00 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 53.77 3f1f s LYS 23 Cb 0.00 -3.93 -0.04 0.00 -1.68 0.00 0.00 37.83 32.19 3f1f s LYS 23 CO 0.00 -0.83 1.22 -1.17 -0.76 0.00 0.00 175.35 173.80 3f1f s LEU 24 N 2.34 4.30 0.83 3.17 2.96 -0.83 -3.45 118.68 127.99 3f1f s LEU 24 Ca 0.16 1.88 -0.12 0.00 -0.22 0.00 0.00 54.13 55.82 3f1f s LEU 24 Cb -0.16 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.07 3f1f s LEU 24 CO 0.15 -0.58 1.19 -2.16 -1.32 0.00 0.00 176.35 173.63 3f1f s PRO 25 N 2.03 1.72 0.00 0.98 0.04 -1.26 -1.86 135.00 136.65 3f1f s PRO 25 Ca 0.57 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3f1f s PRO 25 Cb -0.26 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3f1f s PRO 25 CO 0.24 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.97 3f1f n GLY 26 N -3.36 -1.30 3.11 0.56 0.00 -0.81 -2.36 105.19 101.03 3f1f n GLY 26 Ca 0.09 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3f1f n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 27 N -2.94 0.43 -0.01 1.61 1.01 0.38 -2.39 120.40 118.49 3f1f s VAL 27 Ca 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.25 3f1f s VAL 27 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3f1f s VAL 27 CO 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 175.10 174.14 3f1f s MET 28 N -3.56 0.66 -0.09 2.72 0.23 -0.99 0.51 119.30 118.77 3f1f s MET 28 Ca 0.06 -0.29 -0.32 0.00 -1.03 0.00 0.00 55.69 54.11 3f1f s MET 28 Cb 0.04 -0.63 0.12 0.00 -1.53 0.00 0.00 34.83 32.83 3f1f s MET 28 CO -0.07 0.17 1.11 1.52 -2.03 0.00 0.00 175.02 175.73 3f1f s TYR 29 N -0.20 -0.18 0.00 3.16 -0.85 -0.04 -0.03 117.35 119.22 3f1f s TYR 29 Ca 0.03 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 3f1f s TYR 29 Cb -0.03 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.84 3f1f s TYR 29 CO -0.00 -0.35 0.00 0.27 -1.52 0.00 0.00 175.55 173.94 3f1f n ASN 30 N -0.22 0.00 0.03 -0.18 6.94 -0.41 -1.76 115.26 119.65 3f1f n ASN 30 Ca -0.04 -0.70 0.01 0.00 -0.02 0.00 0.00 54.58 53.84 3f1f n ASN 30 Cb 0.60 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.09 3f1f n ASN 30 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3f1f n ARG 31 N 0.00 0.02 0.00 -3.83 1.85 -1.26 -2.80 116.66 110.63 3f1f n ARG 31 Ca 0.00 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.26 3f1f n ARG 31 Cb 0.00 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 3f1f n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3f1f n HIS 32 N -1.50 0.00 -3.90 2.89 8.25 -1.26 -5.10 115.22 114.61 3f1f n HIS 32 Ca -0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 3f1f n HIS 32 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 3f1f n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3f1f s LEU 33 N -2.34 3.90 -0.30 2.41 2.96 -1.12 -5.11 118.68 119.07 3f1f s LEU 33 Ca 0.00 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.51 3f1f s LEU 33 Cb 0.00 -2.50 0.18 0.00 0.50 0.00 0.00 46.19 44.37 3f1f s LEU 33 CO 0.00 -0.19 1.21 0.21 -1.32 0.00 0.00 176.35 176.26 3f1f s ASN 34 N -3.97 -0.17 -0.08 3.68 3.84 -1.24 -1.29 114.94 115.72 3f1f s ASN 34 Ca 0.37 0.17 -0.07 0.00 0.21 0.00 0.00 52.86 53.54 3f1f s ASN 34 Cb -0.08 1.17 0.02 0.00 -0.55 0.00 0.00 41.25 41.81 3f1f s ASN 34 CO 0.27 -0.03 0.20 -0.13 -2.79 0.00 0.00 177.10 174.62 3f1f s ARG 35 N 2.54 0.24 -0.17 0.43 1.81 0.95 -4.98 118.95 119.77 3f1f s ARG 35 Ca -0.04 0.28 -0.29 0.00 -1.72 0.00 0.00 55.73 53.96 3f1f s ARG 35 Cb -0.05 0.11 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 3f1f s ARG 35 CO -0.12 -0.03 1.13 0.15 -0.68 0.00 0.00 175.30 175.74 3f1f s LYS 36 N 0.11 4.29 0.23 3.54 1.02 -1.26 -2.36 119.74 125.31 3f1f s LYS 36 Ca -0.00 1.50 0.05 0.00 0.02 0.00 0.00 55.97 57.54 3f1f s LYS 36 Cb -0.01 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 3f1f s LYS 36 CO 0.00 -0.58 0.21 1.33 -0.92 0.00 0.00 175.35 175.39 3f1f n VAL 37 N 5.13 0.00 -3.43 3.17 0.24 -1.00 -0.97 118.33 121.46 3f1f n VAL 37 Ca 0.12 -1.66 0.01 0.00 -2.04 0.00 0.00 64.34 60.77 3f1f n VAL 37 Cb 0.46 0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 33.63 3f1f n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3f1f s TYR 38 N -3.00 -0.38 0.67 6.34 -0.85 -0.82 -1.92 117.35 117.38 3f1f s TYR 38 Ca 0.27 0.70 -0.00 0.00 -0.52 0.00 0.00 57.07 57.52 3f1f s TYR 38 Cb 0.01 0.23 0.09 0.00 0.38 0.00 0.00 41.96 42.68 3f1f s TYR 38 CO 0.19 -0.19 0.93 0.14 -1.52 0.00 0.00 175.55 175.10 3f1f s VAL 39 N 1.87 2.30 0.09 -3.49 -7.23 -0.78 -2.55 120.40 110.60 3f1f s VAL 39 Ca -0.04 -0.60 -0.26 0.00 -1.81 0.00 0.00 61.98 59.27 3f1f s VAL 39 Cb -0.03 -2.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 3f1f s VAL 39 CO -0.15 0.00 0.81 -0.62 -0.31 0.00 0.00 175.10 174.82 3f1f s ASP 40 N -4.63 7.31 0.00 4.85 2.15 -1.26 -1.97 116.67 123.11 3f1f s ASP 40 Ca 0.63 1.56 0.00 0.00 0.43 0.00 0.00 52.55 55.17 3f1f s ASP 40 Cb -0.07 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 3f1f s ASP 40 CO 0.42 0.05 0.88 -0.11 -0.17 0.00 0.00 175.17 176.24 3f1f n LEU 41 N 2.51 0.00 -0.37 -1.34 0.00 -0.58 0.13 117.00 117.35 3f1f n LEU 41 Ca -0.02 0.88 0.32 0.00 0.00 0.00 0.00 56.01 57.18 3f1f n LEU 41 Cb 0.50 -0.38 0.58 0.00 0.00 0.00 0.00 43.42 44.12 3f1f n LEU 41 CO 0.48 -0.38 1.14 1.62 0.00 0.00 0.00 177.39 180.25 3f1f h VAL 42 N 0.00 0.13 0.55 1.96 3.04 -1.95 0.54 116.25 120.52 3f1f h VAL 42 Ca 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 66.70 65.62 3f1f h VAL 42 Cb 0.00 -0.00 0.01 0.00 -2.01 0.00 0.00 31.29 29.28 3f1f h VAL 42 CO 0.00 0.02 -0.26 -0.33 -1.01 0.00 0.00 177.57 175.99 3f1f h GLU 43 N 0.13 -0.71 -0.85 4.17 5.08 -1.87 -2.86 114.58 117.67 3f1f h GLU 43 Ca 0.81 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 59.39 3f1f h GLU 43 Cb 2.21 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.56 3f1f h GLU 43 CO -0.59 -0.41 0.56 0.35 -1.00 0.00 0.00 179.01 177.93 3f1f h PHE 44 N -1.06 0.55 0.64 4.33 3.04 0.41 -1.80 116.94 123.05 3f1f h PHE 44 Ca -0.08 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 3f1f h PHE 44 Cb 0.63 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.98 3f1f h PHE 44 CO 0.01 0.18 -0.31 0.22 -2.02 0.00 0.00 178.31 176.38 3f1f h ASP 45 N 0.44 -0.73 -0.89 0.41 1.82 -0.71 1.18 116.42 117.94 3f1f h ASP 45 Ca 0.43 -0.01 0.23 0.00 -0.39 0.00 0.00 57.03 57.28 3f1f h ASP 45 Cb 1.00 0.19 -0.13 0.00 0.68 0.00 0.00 39.33 41.07 3f1f h ASP 45 CO -0.16 -0.43 0.36 0.11 -1.61 0.00 0.00 179.24 177.50 3f1f h LYS 46 N -1.00 0.33 0.28 0.28 1.57 -1.12 0.32 116.57 117.23 3f1f h LYS 46 Ca -0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3f1f h LYS 46 Cb 0.70 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3f1f h LYS 46 CO 0.14 0.22 -0.13 0.28 -0.57 0.00 0.00 179.45 179.39 3f1f h VAL 47 N 0.34 0.28 -0.36 0.50 2.07 -0.95 -3.26 116.25 114.86 3f1f h VAL 47 Ca 0.56 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3f1f h VAL 47 Cb 1.09 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3f1f h VAL 47 CO -0.56 0.07 0.16 0.15 0.02 0.00 0.00 177.57 177.41 3f1f h PHE 48 N -1.04 0.50 -0.30 1.57 -0.00 0.19 1.07 116.94 118.92 3f1f h PHE 48 Ca -0.04 -0.01 0.06 0.00 -0.00 0.00 0.00 57.97 57.98 3f1f h PHE 48 Cb 0.41 -0.16 -0.06 0.00 -0.00 0.00 0.00 35.95 36.14 3f1f h PHE 48 CO 0.03 0.39 -0.09 0.00 -0.00 0.00 0.00 178.31 178.64 3f1f h ARG 49 N 0.51 -0.02 -0.04 1.11 2.47 -1.07 0.25 114.38 117.59 3f1f h ARG 49 Ca 0.13 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.71 3f1f h ARG 49 Cb 0.09 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3f1f h ARG 49 CO -0.02 -0.02 -0.53 0.37 0.56 0.00 0.00 179.97 180.34 3f1f h GLN 50 N -0.02 0.42 0.21 0.04 5.75 -1.27 -3.39 115.11 116.85 3f1f h GLN 50 Ca 0.15 -0.41 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 3f1f h GLN 50 Cb 0.25 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.90 3f1f h GLN 50 CO -0.32 1.06 -0.10 0.00 -2.65 0.00 0.00 178.83 176.82 3f1f h ALA 51 N 0.37 -0.73 -1.80 3.38 0.00 0.15 -3.48 119.26 117.16 3f1f h ALA 51 Ca -0.05 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.92 3f1f h ALA 51 Cb 1.21 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3f1f h ALA 51 CO 0.11 -0.71 -0.17 -1.13 0.00 0.00 0.00 179.25 177.35 3f1f n SER 52 N -3.04 -5.05 -0.55 0.00 3.41 0.86 -3.24 113.62 106.02 3f1f n SER 52 Ca -0.03 0.50 0.04 0.00 -0.26 0.00 0.00 58.87 59.11 3f1f n SER 52 Cb 0.11 -1.40 0.12 0.00 -0.26 0.00 0.00 64.21 62.78 3f1f n SER 52 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3f1f n ILE 53 N -2.26 0.43 -0.12 -1.33 -6.64 -1.26 -3.67 119.36 104.52 3f1f n ILE 53 Ca 0.00 -0.37 -0.20 0.00 -1.77 0.00 0.00 62.75 60.42 3f1f n ILE 53 Cb 0.21 0.09 -0.12 0.00 -1.44 0.00 0.00 39.64 38.38 3f1f n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3f1f n HIS 54 N 0.25 0.15 -3.72 4.28 -0.00 -1.26 -4.70 115.22 110.22 3f1f n HIS 54 Ca 0.09 0.04 -0.37 0.00 -0.00 0.00 0.00 57.72 57.48 3f1f n HIS 54 Cb 0.27 -1.02 -0.07 0.00 -0.00 0.00 0.00 29.99 29.17 3f1f n HIS 54 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3f1f s HIS 55 N -2.52 3.55 0.68 4.41 3.76 -1.20 -4.97 115.29 119.00 3f1f s HIS 55 Ca -0.34 0.58 -0.15 0.00 -0.15 0.00 0.00 55.06 54.99 3f1f s HIS 55 Cb 0.09 -2.12 0.01 0.00 1.11 0.00 0.00 32.58 31.68 3f1f s HIS 55 CO 0.61 0.53 1.15 0.08 -0.85 0.00 0.00 174.74 176.26 3f1f s VAL 56 N -0.45 2.88 -0.05 -0.90 1.01 -1.26 -4.69 120.40 116.94 3f1f s VAL 56 Ca 0.15 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.60 3f1f s VAL 56 Cb -0.13 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 3f1f s VAL 56 CO 0.04 -0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.11 3f1f s ILE 57 N -2.17 1.42 -0.36 2.22 1.09 0.01 -1.80 121.20 121.61 3f1f s ILE 57 Ca 0.70 -0.70 -0.20 0.00 -1.10 0.00 0.00 60.65 59.35 3f1f s ILE 57 Cb -0.24 -1.22 0.00 0.00 -1.06 0.00 0.00 42.46 39.94 3f1f s ILE 57 CO 0.42 0.41 0.63 -0.69 -0.10 0.00 0.00 174.94 175.61 3f1f s VAL 58 N 0.11 4.90 0.20 2.92 1.01 0.33 -0.00 120.40 129.87 3f1f s VAL 58 Ca -0.05 0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 3f1f s VAL 58 Cb -0.12 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3f1f s VAL 58 CO 0.03 -0.31 0.66 -0.76 0.00 0.00 0.00 175.10 174.71 3f1f s LEU 59 N 2.69 4.31 -0.32 3.92 1.43 0.56 -0.34 118.68 130.92 3f1f s LEU 59 Ca 0.24 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.62 3f1f s LEU 59 Cb -0.15 -3.52 0.10 0.00 0.03 0.00 0.00 46.19 42.66 3f1f s LEU 59 CO 0.15 0.03 0.09 -1.61 0.23 0.00 0.00 176.35 175.24 3f1f s GLU 60 N -2.08 0.97 0.47 1.70 0.41 0.11 -1.96 118.70 118.31 3f1f s GLU 60 Ca 0.42 -1.36 -0.04 0.00 -0.41 0.00 0.00 54.97 53.59 3f1f s GLU 60 Cb -0.15 -2.39 -0.03 0.00 -1.78 0.00 0.00 34.13 29.79 3f1f s GLU 60 CO 0.20 -0.98 0.74 -0.51 -0.49 0.00 0.00 175.26 174.22 3f1f s LEU 61 N 1.35 3.66 0.00 1.80 1.43 -0.87 -1.71 118.68 124.34 3f1f s LEU 61 Ca 0.10 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 3f1f s LEU 61 Cb -0.18 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.45 3f1f s LEU 61 CO -0.19 -0.60 0.44 -2.65 0.23 0.00 0.00 176.35 173.58 3f1f n PRO 62 N -2.19 0.38 -0.67 1.29 -0.02 -1.26 -1.56 135.00 130.97 3f1f n PRO 62 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 3f1f n PRO 62 Cb 0.56 -1.04 0.35 0.00 -0.02 0.00 0.00 33.50 33.35 3f1f n PRO 62 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3f1f n ASP 63 N -0.54 4.81 0.00 2.55 8.00 -1.26 -4.88 116.55 125.23 3f1f n ASP 63 Ca 0.01 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.94 3f1f n ASP 63 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 3f1f n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f1f n GLY 64 N 0.92 0.87 3.65 0.44 0.00 -0.60 -4.91 105.19 105.57 3f1f n GLY 64 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3f1f n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f1f s GLN 65 N -0.19 4.04 -0.01 1.61 -0.21 -1.23 -4.84 119.66 118.84 3f1f s GLN 65 Ca 0.00 2.24 -0.10 0.00 0.02 0.00 0.00 55.36 57.52 3f1f s GLN 65 Cb 0.00 -4.07 -0.05 0.00 1.00 0.00 0.00 33.01 29.88 3f1f s GLN 65 CO 0.00 -1.03 0.31 -1.54 -2.12 0.00 0.00 175.29 170.92 3f1f s SER 66 N 4.15 6.61 -0.09 5.90 1.04 -1.26 -2.05 113.70 128.01 3f1f s SER 66 Ca 0.80 0.73 -0.06 0.00 0.48 0.00 0.00 55.95 57.89 3f1f s SER 66 Cb -0.35 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.64 3f1f s SER 66 CO 0.34 0.30 0.21 -0.76 0.98 0.00 0.00 173.24 174.31 3f1f s LEU 67 N -1.37 0.87 -1.32 2.42 1.02 -0.83 -4.94 118.68 114.53 3f1f s LEU 67 Ca 0.24 0.44 -0.17 0.00 0.02 0.00 0.00 54.13 54.66 3f1f s LEU 67 Cb -0.14 0.68 0.08 0.00 0.02 0.00 0.00 46.19 46.82 3f1f s LEU 67 CO 0.13 -0.11 1.79 -0.81 0.02 0.00 0.00 176.35 177.36 3f1f n PRO 68 N 3.56 3.17 -3.64 1.29 -0.04 -1.26 -0.33 135.00 137.76 3f1f n PRO 68 Ca -0.19 -3.23 -0.36 0.00 -0.04 0.00 0.00 63.50 59.68 3f1f n PRO 68 Cb 0.56 -3.43 -0.07 0.00 -0.04 0.00 0.00 33.50 30.52 3f1f n PRO 68 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3f1f s THR 69 N 3.82 5.35 0.01 0.52 -4.23 1.00 -1.55 115.64 120.56 3f1f s THR 69 Ca 0.52 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 61.32 3f1f s THR 69 Cb 0.05 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 3f1f s THR 69 CO 0.05 0.44 0.37 -0.76 -0.54 0.00 0.00 174.62 174.18 3f1f s LEU 70 N 0.18 4.43 -0.32 4.79 1.43 -0.17 -0.81 118.68 128.20 3f1f s LEU 70 Ca 0.14 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 53.79 3f1f s LEU 70 Cb -0.12 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.46 3f1f s LEU 70 CO 0.02 0.29 1.40 0.68 0.23 0.00 0.00 176.35 178.97 3f1f s VAL 71 N -1.17 3.99 -0.13 -1.59 -7.23 -1.26 0.70 120.40 113.70 3f1f s VAL 71 Ca 0.25 1.09 -0.28 0.00 -1.81 0.00 0.00 61.98 61.23 3f1f s VAL 71 Cb -0.15 -4.08 -0.26 0.00 0.56 0.00 0.00 36.38 32.45 3f1f s VAL 71 CO 0.14 -0.52 0.81 0.03 -0.31 0.00 0.00 175.10 175.25 3f1f h ARG 72 N 9.99 0.02 -2.02 4.82 2.47 -0.98 -3.42 114.38 125.25 3f1f h ARG 72 Ca -0.28 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 3f1f h ARG 72 Cb 1.11 0.01 -0.19 0.00 -1.65 0.00 0.00 29.97 29.25 3f1f h ARG 72 CO 1.04 0.98 0.33 1.14 0.56 0.00 0.00 179.97 184.02 3f1f s GLN 73 N -2.36 0.93 -0.17 0.04 -2.07 -1.25 -5.00 119.66 109.78 3f1f s GLN 73 Ca -0.19 0.08 -0.02 0.00 -1.82 0.00 0.00 55.36 53.41 3f1f s GLN 73 Cb -0.02 0.43 0.05 0.00 -1.09 0.00 0.00 33.01 32.38 3f1f s GLN 73 CO 0.70 -0.32 0.02 0.08 -1.32 0.00 0.00 175.29 174.45 3f1f s VAL 74 N -1.68 0.59 0.08 3.63 1.01 -1.26 -1.50 120.40 121.27 3f1f s VAL 74 Ca -0.05 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 3f1f s VAL 74 Cb -0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 3f1f s VAL 74 CO 0.03 -0.09 0.86 0.20 0.00 0.00 0.00 175.10 176.09 3f1f s ASN 75 N 1.84 7.35 0.20 3.32 0.01 -0.81 -4.93 114.94 121.92 3f1f s ASN 75 Ca 0.00 1.61 0.05 0.00 -0.71 0.00 0.00 52.86 53.81 3f1f s ASN 75 Cb -0.16 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 3f1f s ASN 75 CO -0.07 -0.02 0.21 -0.76 -1.51 0.00 0.00 177.10 174.94 3f1f s LEU 76 N -0.03 3.98 -0.82 0.60 1.02 -1.26 0.51 118.68 122.67 3f1f s LEU 76 Ca 0.42 -0.08 -0.26 0.00 0.02 0.00 0.00 54.13 54.24 3f1f s LEU 76 Cb -0.22 -2.55 0.04 0.00 0.02 0.00 0.00 46.19 43.48 3f1f s LEU 76 CO 0.26 0.02 1.32 -0.62 0.02 0.00 0.00 176.35 177.35 3f1f s ASP 77 N -3.45 6.26 0.60 2.29 2.15 0.16 -4.78 116.67 119.90 3f1f s ASP 77 Ca 0.33 -0.76 -0.18 0.00 0.43 0.00 0.00 52.55 52.37 3f1f s ASP 77 Cb -0.09 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.88 3f1f s ASP 77 CO 0.26 -1.73 0.36 0.29 -0.17 0.00 0.00 175.17 174.17 3f1f n LYS 78 N 9.18 0.36 -1.27 4.34 4.76 -1.26 -3.97 118.16 130.29 3f1f n LYS 78 Ca 0.12 0.14 -0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3f1f n LYS 78 Cb 0.49 -1.57 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3f1f n LYS 78 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3f1f n ARG 79 N 0.20 -0.63 -3.05 1.97 0.63 -1.26 -4.86 116.66 109.66 3f1f n ARG 79 Ca 0.10 0.90 -0.00 0.00 -0.92 0.00 0.00 57.85 57.93 3f1f n ARG 79 Cb 0.48 -1.13 -0.00 0.00 0.45 0.00 0.00 32.46 32.25 3f1f n ARG 79 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3f1f n ARG 80 N 0.22 -1.27 -1.39 -0.14 1.74 -1.26 -4.80 116.66 109.76 3f1f n ARG 80 Ca -0.01 1.37 -0.41 0.00 -0.77 0.00 0.00 57.85 58.03 3f1f n ARG 80 Cb 0.02 -2.07 0.01 0.00 -1.02 0.00 0.00 32.46 29.40 3f1f n ARG 80 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3f1f n ARG 81 N 1.34 0.34 0.00 5.56 1.85 -1.25 -4.81 116.66 119.69 3f1f n ARG 81 Ca -0.02 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 3f1f n ARG 81 Cb 0.34 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 3f1f n ARG 81 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3f1f n ARG 82 N 0.81 0.00 -2.34 2.89 0.63 -1.26 -4.95 116.66 112.43 3f1f n ARG 82 Ca 0.11 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.63 3f1f n ARG 82 Cb 0.41 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.29 3f1f n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3f1f s PRO 83 N -0.93 4.49 -0.21 -0.14 0.04 -1.26 0.37 135.00 137.37 3f1f s PRO 83 Ca 0.00 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.04 3f1f s PRO 83 Cb 0.00 -3.20 -0.18 0.00 0.04 0.00 0.00 34.50 31.15 3f1f s PRO 83 CO 0.00 -0.06 -0.09 0.39 0.04 0.00 0.00 177.00 177.28 3f1f n GLU 84 N 2.05 0.77 -3.64 4.56 1.02 0.18 -4.78 120.64 120.80 3f1f n GLU 84 Ca 0.03 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.17 3f1f n GLU 84 Cb 0.44 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 3f1f n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3f1f s HIS 85 N -2.45 -0.49 0.35 -0.32 5.04 -1.19 -4.30 115.29 111.94 3f1f s HIS 85 Ca -0.22 1.13 0.08 0.00 -1.54 0.00 0.00 55.06 54.51 3f1f s HIS 85 Cb 0.07 0.37 -0.04 0.00 0.04 0.00 0.00 32.58 33.02 3f1f s HIS 85 CO 0.63 -0.24 0.21 0.08 -2.34 0.00 0.00 174.74 173.08 3f1f s VAL 86 N 0.49 3.06 -0.03 0.89 1.01 -1.00 -1.92 120.40 122.90 3f1f s VAL 86 Ca 0.00 -1.58 0.02 0.00 0.00 0.00 0.00 61.98 60.43 3f1f s VAL 86 Cb -0.05 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3f1f s VAL 86 CO -0.09 -0.15 -0.08 -1.81 0.00 0.00 0.00 175.10 172.98 3f1f s ASP 87 N -3.92 1.12 -0.21 3.32 -0.00 -0.56 -0.47 116.67 115.95 3f1f s ASP 87 Ca 0.40 -0.17 0.02 0.00 -0.00 0.00 0.00 52.55 52.79 3f1f s ASP 87 Cb -0.03 -0.36 0.04 0.00 -0.00 0.00 0.00 42.92 42.57 3f1f s ASP 87 CO 0.24 0.03 -0.13 -0.36 -0.00 0.00 0.00 175.17 174.96 3f1f s PHE 88 N 0.37 2.76 -0.48 4.23 0.40 0.18 -0.25 117.98 125.19 3f1f s PHE 88 Ca -0.06 -1.83 -0.23 0.00 -0.60 0.00 0.00 56.93 54.21 3f1f s PHE 88 Cb -0.10 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.68 3f1f s PHE 88 CO 0.01 -0.80 0.82 0.12 0.70 0.00 0.00 175.22 176.06 3f1f s PHE 89 N 1.28 2.94 -0.35 0.36 2.19 0.22 -0.86 117.98 123.77 3f1f s PHE 89 Ca -0.02 0.05 -0.28 0.00 0.33 0.00 0.00 56.93 57.01 3f1f s PHE 89 Cb -0.17 -3.77 -0.01 0.00 -1.31 0.00 0.00 43.02 37.76 3f1f s PHE 89 CO -0.08 -1.09 1.69 0.08 1.83 0.00 0.00 175.22 177.65 3f1f s VAL 90 N 3.42 3.59 0.75 3.12 1.01 -0.72 -1.00 120.40 130.55 3f1f s VAL 90 Ca 0.29 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 3f1f s VAL 90 Cb -0.13 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3f1f s VAL 90 CO 0.21 -0.51 1.12 -0.76 0.00 0.00 0.00 175.10 175.16 3f1f s LEU 91 N 6.49 2.74 0.00 3.92 1.43 -0.59 -4.71 118.68 127.95 3f1f s LEU 91 Ca 0.75 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3f1f s LEU 91 Cb -0.20 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3f1f s LEU 91 CO 0.33 -1.59 0.00 -1.20 0.23 0.00 0.00 176.35 174.12 3f1f n SER 92 N -3.12 0.00 0.00 2.29 7.64 -1.26 -4.72 113.62 114.45 3f1f n SER 92 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3f1f n SER 92 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3f1f n SER 92 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3f1f n ASP 93 N -1.75 0.00 -4.93 6.43 5.68 -1.26 -4.90 116.55 115.82 3f1f n ASP 93 Ca 0.00 -0.16 -0.25 0.00 -0.50 0.00 0.00 54.79 53.88 3f1f n ASP 93 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3f1f n ASP 93 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3f1f s GLU 94 N 0.00 3.41 -0.81 0.11 1.03 -1.26 -4.62 118.70 116.55 3f1f s GLU 94 Ca 0.00 -0.16 -0.26 0.00 0.03 0.00 0.00 54.97 54.58 3f1f s GLU 94 Cb 0.00 -2.53 -0.12 0.00 -0.80 0.00 0.00 34.13 30.68 3f1f s GLU 94 CO 0.00 -0.08 2.31 -1.25 -1.33 0.00 0.00 175.26 174.91 3f1f s PRO 95 N -4.53 1.80 -0.01 -4.83 0.04 -1.26 -4.16 135.00 122.04 3f1f s PRO 95 Ca 0.45 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 3f1f s PRO 95 Cb -0.10 -4.84 -0.05 0.00 0.04 0.00 0.00 34.50 29.55 3f1f s PRO 95 CO 0.40 -4.23 0.32 0.54 0.04 0.00 0.00 177.00 174.07 3f1f s VAL 96 N 13.81 5.20 0.26 -0.36 0.11 0.25 -4.65 120.40 135.02 3f1f s VAL 96 Ca 0.88 0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 60.40 3f1f s VAL 96 Cb -0.12 -3.60 -0.05 0.00 -1.53 0.00 0.00 36.38 31.08 3f1f s VAL 96 CO 0.06 0.50 0.49 -1.83 -3.33 0.00 0.00 175.10 171.00 3f1f s GLU 97 N -1.33 3.59 -0.27 1.54 4.04 -1.26 0.02 118.70 125.03 3f1f s GLU 97 Ca 0.24 -0.12 -0.28 0.00 0.04 0.00 0.00 54.97 54.84 3f1f s GLU 97 Cb -0.15 -2.72 0.18 0.00 0.02 0.00 0.00 34.13 31.47 3f1f s GLU 97 CO 0.12 0.28 1.32 0.00 -1.84 0.00 0.00 175.26 175.15 3f1f s MET 98 N -3.46 0.14 0.22 -4.83 0.23 -0.74 -4.91 119.30 105.96 3f1f s MET 98 Ca 0.42 0.06 -0.30 0.00 -1.03 0.00 0.00 55.69 54.84 3f1f s MET 98 Cb -0.11 0.07 -0.09 0.00 -1.53 0.00 0.00 34.83 33.17 3f1f s MET 98 CO 0.29 -0.04 1.29 0.71 -2.03 0.00 0.00 175.02 175.24 3f1f s TYR 99 N -0.76 3.26 0.03 3.16 2.02 -1.25 -2.11 117.35 121.69 3f1f s TYR 99 Ca 0.07 1.29 0.03 0.00 -0.37 0.00 0.00 57.07 58.09 3f1f s TYR 99 Cb -0.02 -3.58 -0.02 0.00 -0.40 0.00 0.00 41.96 37.94 3f1f s TYR 99 CO -0.08 -1.75 -0.10 0.14 -1.57 0.00 0.00 175.55 172.19 3f1f s VAL 100 N -0.14 0.75 0.87 0.71 -7.23 0.01 -4.40 120.40 110.97 3f1f s VAL 100 Ca 0.55 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.83 3f1f s VAL 100 Cb -0.36 -0.70 0.14 0.00 0.56 0.00 0.00 36.38 36.01 3f1f s VAL 100 CO 0.40 -0.06 0.30 -2.65 -0.31 0.00 0.00 175.10 172.77 3f1f n PRO 101 N 2.10 -1.80 -3.19 4.82 -0.02 -1.26 -0.19 135.00 135.46 3f1f n PRO 101 Ca -0.18 -0.53 0.01 0.00 -2.02 0.00 0.00 63.50 60.78 3f1f n PRO 101 Cb 0.56 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.67 3f1f n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3f1f s LEU 102 N 2.12 -1.27 -0.43 2.45 1.43 -1.19 -3.92 118.68 117.87 3f1f s LEU 102 Ca 0.25 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.82 3f1f s LEU 102 Cb -0.04 1.93 0.03 0.00 0.03 0.00 0.00 46.19 48.14 3f1f s LEU 102 CO 0.22 -0.28 0.40 -0.13 0.23 0.00 0.00 176.35 176.80 3f1f s ARG 103 N 2.79 3.04 -0.98 1.70 0.52 -1.02 -4.86 118.95 120.14 3f1f s ARG 103 Ca 0.18 -0.95 -0.18 0.00 -0.52 0.00 0.00 55.73 54.25 3f1f s ARG 103 Cb -0.14 -4.01 0.13 0.00 0.52 0.00 0.00 34.95 31.45 3f1f s ARG 103 CO -0.21 -0.88 1.20 -0.06 0.02 0.00 0.00 175.30 175.37 3f1f s PHE 104 N 1.95 3.12 -0.03 -0.53 0.08 -1.26 -0.21 117.98 121.09 3f1f s PHE 104 Ca 0.09 -1.45 -0.15 0.00 0.12 0.00 0.00 56.93 55.53 3f1f s PHE 104 Cb -0.19 -4.33 -0.05 0.00 -0.57 0.00 0.00 43.02 37.88 3f1f s PHE 104 CO 0.11 -1.52 0.41 0.54 -0.10 0.00 0.00 175.22 174.67 3f1f s VAL 105 N 2.75 5.07 0.00 -0.44 0.11 -0.48 -4.91 120.40 122.49 3f1f s VAL 105 Ca 0.35 0.84 0.00 0.00 -2.93 0.00 0.00 61.98 60.25 3f1f s VAL 105 Cb -0.04 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 3f1f s VAL 105 CO -0.08 0.53 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 3f1f n GLY 106 N 2.14 1.82 3.41 6.54 0.00 -1.26 -3.57 105.19 114.28 3f1f n GLY 106 Ca -0.13 -1.41 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 3f1f n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f1f s THR 107 N -0.13 4.96 1.00 2.61 -4.23 -1.26 -4.39 115.64 114.22 3f1f s THR 107 Ca 0.00 -0.76 -0.12 0.00 -1.18 0.00 0.00 61.69 59.63 3f1f s THR 107 Cb 0.00 -4.30 0.14 0.00 1.34 0.00 0.00 72.50 69.68 3f1f s THR 107 CO 0.00 -0.81 0.76 -2.65 -0.54 0.00 0.00 174.62 171.38 3f1f n PRO 108 N 5.94 -0.94 -0.31 3.99 -0.02 -1.25 -4.60 135.00 137.80 3f1f n PRO 108 Ca -0.09 -0.23 0.21 0.00 -2.02 0.00 0.00 63.50 61.38 3f1f n PRO 108 Cb 0.44 -2.10 0.50 0.00 -0.02 0.00 0.00 33.50 32.32 3f1f n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1f h ALA 109 N -1.98 2.19 0.16 3.55 0.00 -0.39 -1.07 119.26 121.73 3f1f h ALA 109 Ca -0.48 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3f1f h ALA 109 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3f1f h ALA 109 CO 0.40 -0.56 -0.08 0.78 0.00 0.00 0.00 179.25 179.79 3f1f h GLY 110 N 0.42 -0.22 -0.06 0.00 0.00 -1.68 -1.89 103.07 99.64 3f1f h GLY 110 Ca 0.57 0.08 0.24 0.00 0.00 0.00 0.00 47.33 48.22 3f1f h GLY 110 CO -0.27 -0.08 0.62 -2.08 0.00 0.00 0.00 176.54 174.72 3f1f h VAL 111 N -0.67 0.58 0.43 4.60 2.07 -1.48 -0.86 116.25 120.92 3f1f h VAL 111 Ca -0.02 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3f1f h VAL 111 Cb 0.49 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3f1f h VAL 111 CO 0.04 0.10 -0.21 -0.09 0.02 0.00 0.00 177.57 177.43 3f1f h ARG 112 N 0.57 -0.56 -1.01 1.57 2.43 -1.30 -3.10 114.38 112.99 3f1f h ARG 112 Ca 0.61 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 3f1f h ARG 112 Cb 1.22 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3f1f h ARG 112 CO -0.39 -0.25 0.00 0.00 -1.51 0.00 0.00 179.97 177.81 3f1f n ALA 113 N -2.53 2.47 -1.38 2.80 0.00 -0.45 -4.88 120.51 116.53 3f1f n ALA 113 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3f1f n ALA 113 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3f1f n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1f n GLY 114 N 0.31 -4.23 0.00 0.00 0.00 -0.46 -5.00 105.19 95.82 3f1f n GLY 114 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3f1f n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1f n GLY 115 N 0.79 -1.08 2.74 -0.02 0.00 -1.11 -4.74 105.19 101.77 3f1f n GLY 115 Ca 0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 3f1f n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 116 N -3.00 -0.03 -0.53 1.61 1.01 -0.29 -4.63 120.40 114.53 3f1f s VAL 116 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 3f1f s VAL 116 Cb 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.26 3f1f s VAL 116 CO 0.00 0.14 1.15 -0.22 0.00 0.00 0.00 175.10 176.17 3f1f s LEU 117 N 1.51 3.56 -0.55 3.92 2.96 -1.26 0.20 118.68 129.03 3f1f s LEU 117 Ca -0.03 0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.91 3f1f s LEU 117 Cb -0.13 -3.32 0.06 0.00 0.50 0.00 0.00 46.19 43.31 3f1f s LEU 117 CO -0.03 -1.37 0.76 -1.58 -1.32 0.00 0.00 176.35 172.81 3f1f s GLN 118 N 4.68 3.15 -1.06 1.98 -0.44 0.66 -4.95 119.66 123.68 3f1f s GLN 118 Ca 0.45 -0.82 -0.19 0.00 -2.50 0.00 0.00 55.36 52.30 3f1f s GLN 118 Cb -0.07 -4.14 0.11 0.00 -1.64 0.00 0.00 33.01 27.26 3f1f s GLN 118 CO 0.28 -1.43 1.37 -1.83 0.50 0.00 0.00 175.29 174.19 3f1f s GLU 119 N 3.15 3.75 0.27 1.67 -1.05 -1.26 0.59 118.70 125.81 3f1f s GLU 119 Ca 0.19 -1.77 -0.01 0.00 -0.15 0.00 0.00 54.97 53.23 3f1f s GLU 119 Cb -0.18 -5.17 0.58 0.00 -0.44 0.00 0.00 34.13 28.92 3f1f s GLU 119 CO 0.12 -1.97 1.69 0.82 0.95 0.00 0.00 175.26 176.87 3f1f h ILE 120 N 5.85 0.49 -1.86 1.83 1.08 -1.70 -3.41 117.51 119.79 3f1f h ILE 120 Ca 0.24 -0.11 -0.56 0.00 -0.39 0.00 0.00 64.86 64.04 3f1f h ILE 120 Cb 0.97 0.13 -0.09 0.00 -3.07 0.00 0.00 36.82 34.76 3f1f h ILE 120 CO 1.28 0.06 -0.56 -1.00 -0.69 0.00 0.00 178.15 177.24 3f1f s HIS 121 N -5.98 2.64 -0.01 1.37 3.76 0.86 -4.98 115.29 112.96 3f1f s HIS 121 Ca -0.12 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 3f1f s HIS 121 Cb 0.23 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 32.31 3f1f s HIS 121 CO 0.77 0.37 0.75 0.54 -0.85 0.00 0.00 174.74 176.32 3f1f n ARG 122 N -1.09 0.27 -3.65 1.40 1.74 -1.26 -4.90 116.66 109.17 3f1f n ARG 122 Ca -0.03 -0.85 -0.02 0.00 -0.77 0.00 0.00 57.85 56.18 3f1f n ARG 122 Cb 0.62 -0.58 -0.02 0.00 -1.02 0.00 0.00 32.46 31.46 3f1f n ARG 122 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3f1f s ASP 123 N -0.57 -0.00 -0.03 0.55 1.47 -1.26 -3.15 116.67 113.69 3f1f s ASP 123 Ca 0.02 -0.00 0.01 0.00 1.18 0.00 0.00 52.55 53.76 3f1f s ASP 123 Cb 0.01 0.00 0.01 0.00 -0.34 0.00 0.00 42.92 42.61 3f1f s ASP 123 CO 0.00 -0.00 -0.04 -0.63 0.68 0.00 0.00 175.17 175.18 3f1f s ILE 124 N -2.00 0.43 -0.31 2.11 1.01 0.73 -4.77 121.20 118.40 3f1f s ILE 124 Ca 0.12 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 3f1f s ILE 124 Cb -0.01 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 42.02 3f1f s ILE 124 CO -0.02 0.17 1.59 -0.22 0.00 0.00 0.00 174.94 176.46 3f1f s LEU 125 N 0.51 3.68 -0.01 2.97 0.20 -1.26 -0.81 118.68 123.96 3f1f s LEU 125 Ca -0.06 1.27 0.00 0.00 0.69 0.00 0.00 54.13 56.03 3f1f s LEU 125 Cb -0.10 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.15 3f1f s LEU 125 CO -0.00 -1.44 0.01 0.68 -0.29 0.00 0.00 176.35 175.31 3f1f s VAL 126 N 5.74 0.00 0.33 1.68 -7.23 -0.90 -0.16 120.40 119.86 3f1f s VAL 126 Ca 0.70 0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 60.68 3f1f s VAL 126 Cb -0.20 -0.07 -0.10 0.00 0.56 0.00 0.00 36.38 36.57 3f1f s VAL 126 CO 0.31 0.05 1.19 -0.75 -0.31 0.00 0.00 175.10 175.60 3f1f s LYS 127 N 0.54 4.40 -0.08 4.82 2.20 0.93 -1.79 119.74 130.77 3f1f s LYS 127 Ca -0.05 1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 57.22 3f1f s LYS 127 Cb -0.07 -3.02 0.12 0.00 -1.51 0.00 0.00 37.83 33.34 3f1f s LYS 127 CO -0.01 -0.06 1.01 0.54 -0.36 0.00 0.00 175.35 176.46 3f1f s VAL 128 N -1.22 0.00 0.17 4.02 0.11 0.10 -2.72 120.40 120.86 3f1f s VAL 128 Ca 0.49 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.45 3f1f s VAL 128 Cb -0.34 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.44 3f1f s VAL 128 CO 0.45 0.00 0.48 -0.55 -3.33 0.00 0.00 175.10 172.15 3f1f s SER 129 N -2.32 6.62 0.59 3.54 0.15 -1.26 0.88 113.70 121.90 3f1f s SER 129 Ca 0.06 0.84 0.29 0.00 0.70 0.00 0.00 55.95 57.84 3f1f s SER 129 Cb -0.01 -2.19 1.45 0.00 -1.71 0.00 0.00 66.02 63.56 3f1f s SER 129 CO -0.07 0.03 1.86 -0.65 1.20 0.00 0.00 173.24 175.61 3f1f h PRO 130 N 2.98 0.00 -0.38 5.44 0.11 -1.82 0.38 132.00 138.70 3f1f h PRO 130 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3f1f h PRO 130 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3f1f h PRO 130 CO 0.69 0.00 0.18 0.00 -0.21 0.00 0.00 178.00 178.66 3f1f h ARG 131 N 0.00 0.55 -5.66 1.05 -0.00 -1.93 -3.41 114.38 104.99 3f1f h ARG 131 Ca 0.23 -0.09 -0.60 0.00 -0.50 0.00 0.00 59.98 59.03 3f1f h ARG 131 Cb 1.30 -0.10 -0.10 0.00 0.00 0.00 0.00 29.97 31.07 3f1f h ARG 131 CO -0.00 0.50 0.20 -0.80 0.00 0.00 0.00 179.97 179.86 3f1f s ASN 132 N -5.77 6.70 -0.41 7.04 0.01 0.13 -4.95 114.94 117.70 3f1f s ASN 132 Ca -0.13 0.85 0.09 0.00 -0.71 0.00 0.00 52.86 52.97 3f1f s ASN 132 Cb 0.10 -2.37 0.32 0.00 0.41 0.00 0.00 41.25 39.72 3f1f s ASN 132 CO 0.74 -0.34 0.83 -0.38 -1.51 0.00 0.00 177.10 176.45 3f1f n ILE 133 N 4.90 -0.16 -1.47 0.60 5.41 -1.26 -4.47 119.36 122.91 3f1f n ILE 133 Ca 0.00 -3.43 -0.53 0.00 1.00 0.00 0.00 62.75 59.79 3f1f n ILE 133 Cb 0.49 0.19 -0.08 0.00 -0.71 0.00 0.00 39.64 39.54 3f1f n ILE 133 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3f1f n PRO 134 N 0.49 0.99 0.33 0.38 -0.04 -1.26 -4.76 135.00 131.13 3f1f n PRO 134 Ca 0.18 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 3f1f n PRO 134 Cb 0.66 -2.30 0.74 0.00 -0.04 0.00 0.00 33.50 32.56 3f1f n PRO 134 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3f1f h GLU 135 N 11.13 0.00 0.00 0.54 5.08 -1.99 -3.44 114.58 125.91 3f1f h GLU 135 Ca -0.28 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3f1f h GLU 135 Cb 1.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 3f1f h GLU 135 CO 1.02 0.00 0.36 1.97 -1.00 0.00 0.00 179.01 181.36 3f1f n PHE 136 N -2.81 -1.05 -3.49 4.33 1.16 -1.26 -4.64 117.46 109.70 3f1f n PHE 136 Ca -0.02 -0.78 -0.22 0.00 -1.87 0.00 0.00 57.45 54.57 3f1f n PHE 136 Cb 0.42 0.38 -0.13 0.00 -1.61 0.00 0.00 39.48 38.54 3f1f n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3f1f s ILE 137 N -2.26 -0.26 0.81 1.97 1.09 -1.25 -4.96 121.20 116.34 3f1f s ILE 137 Ca 0.14 -0.42 -0.12 0.00 -1.10 0.00 0.00 60.65 59.16 3f1f s ILE 137 Cb -0.02 -0.85 0.08 0.00 -1.06 0.00 0.00 42.46 40.62 3f1f s ILE 137 CO 0.03 -0.44 1.13 -1.61 -0.10 0.00 0.00 174.94 173.96 3f1f s GLU 138 N 2.26 1.83 -0.08 2.79 2.02 -1.26 -2.43 118.70 123.82 3f1f s GLU 138 Ca 0.08 1.44 -0.03 0.00 0.02 0.00 0.00 54.97 56.47 3f1f s GLU 138 Cb -0.15 -1.83 0.04 0.00 0.10 0.00 0.00 34.13 32.29 3f1f s GLU 138 CO -0.25 -2.01 0.17 0.08 0.02 0.00 0.00 175.26 173.26 3f1f s VAL 139 N -2.59 -0.17 -0.99 2.63 1.01 0.70 -4.36 120.40 116.64 3f1f s VAL 139 Ca 0.66 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3f1f s VAL 139 Cb -0.22 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3f1f s VAL 139 CO 0.53 0.11 0.43 -0.90 0.00 0.00 0.00 175.10 175.27 3f1f n ASP 140 N 4.78 0.86 -4.52 3.32 3.85 -1.26 -1.39 116.55 122.20 3f1f n ASP 140 Ca -0.15 -1.68 -0.25 0.00 -0.71 0.00 0.00 54.79 52.00 3f1f n ASP 140 Cb 0.51 -0.42 -0.16 0.00 -1.35 0.00 0.00 41.12 39.70 3f1f n ASP 140 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3f1f n VAL 141 N 0.09 -0.01 0.00 2.12 3.14 -1.23 -4.00 118.33 118.44 3f1f n VAL 141 Ca 0.00 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 3f1f n VAL 141 Cb 0.21 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 3f1f n VAL 141 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3f1f n SER 142 N 10.41 0.00 -0.75 6.55 7.64 -1.26 -3.88 113.62 132.33 3f1f n SER 142 Ca 0.60 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.48 3f1f n SER 142 Cb 0.22 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.47 3f1f n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f1f n GLY 143 N -0.10 1.79 3.51 0.23 0.00 -1.26 -2.96 105.19 106.40 3f1f n GLY 143 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3f1f n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1f s LEU 144 N -0.38 4.63 0.63 0.99 2.01 -1.26 -4.88 118.68 120.42 3f1f s LEU 144 Ca 0.07 -0.42 -0.05 0.00 0.01 0.00 0.00 54.13 53.75 3f1f s LEU 144 Cb 0.06 -2.48 0.04 0.00 0.01 0.00 0.00 46.19 43.82 3f1f s LEU 144 CO 0.02 -0.56 0.92 -0.70 1.01 0.00 0.00 176.35 177.05 3f1f s GLU 145 N 2.29 2.51 -0.03 1.70 2.56 -1.26 -0.09 118.70 126.38 3f1f s GLU 145 Ca 0.15 -0.28 -0.30 0.00 0.00 0.00 0.00 54.97 54.54 3f1f s GLU 145 Cb -0.16 -2.27 -0.07 0.00 2.00 0.00 0.00 34.13 33.62 3f1f s GLU 145 CO 0.14 -0.94 1.87 0.96 -0.56 0.00 0.00 175.26 176.73 3f1f s ILE 146 N -3.05 3.24 0.00 -3.70 -4.36 -1.26 -1.71 121.20 110.35 3f1f s ILE 146 Ca 0.57 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 61.25 3f1f s ILE 146 Cb -0.11 -3.20 0.00 0.00 1.25 0.00 0.00 42.46 40.41 3f1f s ILE 146 CO 0.43 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.18 3f1f n GLY 147 N 4.53 0.61 3.99 6.27 0.00 -1.03 -5.01 105.19 114.54 3f1f n GLY 147 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3f1f n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1f s ASP 148 N -2.58 5.41 0.16 1.61 1.01 -0.69 -4.94 116.67 116.64 3f1f s ASP 148 Ca 0.00 -0.20 -0.13 0.00 0.71 0.00 0.00 52.55 52.94 3f1f s ASP 148 Cb 0.00 -0.75 0.01 0.00 1.01 0.00 0.00 42.92 43.19 3f1f s ASP 148 CO 0.00 -1.00 0.36 -0.94 0.21 0.00 0.00 175.17 173.80 3f1f s SER 149 N -4.40 -0.09 -0.19 0.27 1.04 -1.26 -2.13 113.70 106.95 3f1f s SER 149 Ca 0.57 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 56.35 3f1f s SER 149 Cb -0.10 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.55 3f1f s SER 149 CO 0.36 -0.91 0.01 -0.76 0.98 0.00 0.00 173.24 172.92 3f1f s LEU 150 N -2.90 1.41 0.00 2.42 1.43 -0.38 -4.98 118.68 115.69 3f1f s LEU 150 Ca 0.11 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3f1f s LEU 150 Cb 0.02 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.52 3f1f s LEU 150 CO -0.04 -0.27 0.00 1.41 0.23 0.00 0.00 176.35 177.68 3f1f n HIS 151 N 4.97 -3.09 -0.11 0.29 8.25 -1.26 0.22 115.22 124.49 3f1f n HIS 151 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.23 3f1f n HIS 151 Cb 0.47 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 3f1f n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f1f h ALA 152 N -0.56 0.54 -0.84 -1.41 0.00 -0.94 -3.19 119.26 112.86 3f1f h ALA 152 Ca 0.00 -0.47 0.24 0.00 0.00 0.00 0.00 54.91 54.68 3f1f h ALA 152 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3f1f h ALA 152 CO 0.00 0.67 0.88 0.66 0.00 0.00 0.00 179.25 181.46 3f1f h SER 153 N 0.74 0.00 -3.35 0.00 4.64 -1.77 -3.25 113.55 110.55 3f1f h SER 153 Ca 0.05 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.64 3f1f h SER 153 Cb 1.02 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.84 3f1f h SER 153 CO 0.10 0.00 -0.40 -1.81 -0.87 0.00 0.00 176.83 173.85 3f1f s ASP 154 N -4.38 5.77 -0.00 4.97 -0.00 -1.20 -5.05 116.67 116.78 3f1f s ASP 154 Ca -0.04 -1.63 -0.23 0.00 -0.00 0.00 0.00 52.55 50.65 3f1f s ASP 154 Cb 0.16 -2.04 0.05 0.00 -0.00 0.00 0.00 42.92 41.09 3f1f s ASP 154 CO 0.55 -0.63 0.52 -0.76 -0.00 0.00 0.00 175.17 174.85 3f1f s LEU 155 N 1.45 -0.02 -0.45 1.23 1.43 -1.23 -4.79 118.68 116.29 3f1f s LEU 155 Ca 0.04 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3f1f s LEU 155 Cb -0.25 2.03 0.29 0.00 0.03 0.00 0.00 46.19 48.29 3f1f s LEU 155 CO 0.02 -0.61 2.06 1.17 0.23 0.00 0.00 176.35 179.23 3f1f n LYS 156 N 0.82 2.14 -1.56 1.70 4.81 -1.26 -4.99 118.16 119.82 3f1f n LYS 156 Ca -0.19 -2.21 -0.46 0.00 -0.87 0.00 0.00 58.31 54.58 3f1f n LYS 156 Cb 0.58 -1.87 -0.05 0.00 0.02 0.00 0.00 35.03 33.71 3f1f n LYS 156 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3f1f n LEU 157 N -0.06 2.93 -4.20 3.14 4.32 -1.26 -4.87 117.00 117.00 3f1f n LEU 157 Ca 0.42 0.38 -0.26 0.00 -0.02 0.00 0.00 56.01 56.53 3f1f n LEU 157 Cb 0.60 -1.44 0.22 0.00 -1.62 0.00 0.00 43.42 41.18 3f1f n LEU 157 CO 0.52 -0.60 0.10 -0.81 -1.22 0.00 0.00 177.39 175.38 3f1f n PRO 158 N 8.29 -3.11 -2.26 3.23 -0.04 -1.26 -4.88 135.00 134.97 3f1f n PRO 158 Ca 0.33 -0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 62.47 3f1f n PRO 158 Cb 0.35 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 3f1f n PRO 158 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3f1f s PRO 159 N -4.15 4.45 0.00 0.54 0.02 -1.26 -2.97 135.00 131.63 3f1f s PRO 159 Ca 0.56 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3f1f s PRO 159 Cb -0.12 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3f1f s PRO 159 CO 0.52 -0.11 0.00 0.41 -0.33 0.00 0.00 177.00 177.49 3f1f n GLY 160 N 1.64 0.72 3.28 0.52 0.00 -1.26 -4.96 105.19 105.13 3f1f n GLY 160 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 3f1f n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 161 N -3.11 5.14 0.16 1.61 1.01 -1.16 -4.57 120.40 119.48 3f1f s VAL 161 Ca 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 61.98 59.49 3f1f s VAL 161 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 3f1f s VAL 161 CO 0.00 -0.96 0.50 -1.83 0.00 0.00 0.00 175.10 172.81 3f1f s GLU 162 N 0.39 3.85 0.49 2.72 -1.05 -1.10 -4.70 118.70 119.31 3f1f s GLU 162 Ca 0.15 0.32 -0.18 0.00 -0.15 0.00 0.00 54.97 55.11 3f1f s GLU 162 Cb -0.16 -2.85 -0.09 0.00 -0.44 0.00 0.00 34.13 30.60 3f1f s GLU 162 CO -0.06 0.45 0.98 -0.48 0.95 0.00 0.00 175.26 177.10 3f1f s LEU 163 N -2.26 3.71 -0.06 1.83 2.34 -1.26 -0.05 118.68 122.94 3f1f s LEU 163 Ca 0.40 1.63 0.21 0.00 0.06 0.00 0.00 54.13 56.43 3f1f s LEU 163 Cb -0.13 -4.52 -0.32 0.00 -0.56 0.00 0.00 46.19 40.65 3f1f s LEU 163 CO 0.20 -0.56 0.41 0.00 -1.06 0.00 0.00 176.35 175.34 3f1f n ALA 164 N -1.32 2.60 -1.00 1.48 0.00 0.78 -4.51 120.51 118.54 3f1f n ALA 164 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3f1f n ALA 164 Cb 0.54 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3f1f n ALA 164 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3f1f n VAL 165 N -2.33 0.00 -3.01 0.00 0.24 -1.14 -5.01 118.33 107.08 3f1f n VAL 165 Ca -0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.90 3f1f n VAL 165 Cb 0.65 -1.33 -0.04 0.00 -1.47 0.00 0.00 33.84 31.65 3f1f n VAL 165 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3f1f s SER 166 N -1.33 6.63 0.49 -1.34 0.15 -1.26 -4.97 113.70 112.06 3f1f s SER 166 Ca 0.00 1.18 0.32 0.00 0.70 0.00 0.00 55.95 58.15 3f1f s SER 166 Cb 0.00 -2.34 1.43 0.00 -1.71 0.00 0.00 66.02 63.41 3f1f s SER 166 CO 0.00 -0.30 1.96 1.55 1.20 0.00 0.00 173.24 177.65 3f1f h PRO 167 N 1.73 0.00 0.11 5.44 0.13 -1.96 -3.24 132.00 134.21 3f1f h PRO 167 Ca -0.47 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 3f1f h PRO 167 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3f1f h PRO 167 CO 0.65 0.00 -2.07 0.39 -0.23 0.00 0.00 178.00 176.74 3f1f n GLU 168 N -2.84 0.74 -1.62 0.86 4.71 -1.26 -2.50 120.64 118.73 3f1f n GLU 168 Ca 0.00 0.25 -0.61 0.00 -0.01 0.00 0.00 57.16 56.79 3f1f n GLU 168 Cb 0.24 -1.68 -0.08 0.00 -1.01 0.00 0.00 31.44 28.90 3f1f n GLU 168 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3f1f n GLU 169 N -3.46 0.31 -2.76 3.49 4.07 -1.22 -4.27 120.64 116.80 3f1f n GLU 169 Ca -0.34 0.11 -0.37 0.00 -0.06 0.00 0.00 57.16 56.50 3f1f n GLU 169 Cb 1.04 -1.66 -0.06 0.00 -0.06 0.00 0.00 31.44 30.70 3f1f n GLU 169 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3f1f s THR 170 N 1.46 4.18 -0.15 6.31 -4.23 -1.26 -0.53 115.64 121.42 3f1f s THR 170 Ca 0.95 1.77 -0.04 0.00 -1.18 0.00 0.00 61.69 63.20 3f1f s THR 170 Cb -1.27 -3.96 -0.24 0.00 1.34 0.00 0.00 72.50 68.36 3f1f s THR 170 CO 0.65 0.11 0.25 -0.38 -0.54 0.00 0.00 174.62 174.71 3f1f n ILE 171 N 0.46 1.71 -3.90 2.99 2.08 0.58 -4.57 119.36 118.71 3f1f n ILE 171 Ca 0.02 -0.65 -0.03 0.00 0.56 0.00 0.00 62.75 62.66 3f1f n ILE 171 Cb 0.50 -1.62 0.02 0.00 -0.75 0.00 0.00 39.64 37.79 3f1f n ILE 171 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3f1f n ALA 172 N -3.03 -2.67 -3.57 -1.39 0.00 -0.90 -0.10 120.51 108.85 3f1f n ALA 172 Ca -0.34 -1.01 -0.07 0.00 0.00 0.00 0.00 53.44 52.01 3f1f n ALA 172 Cb 1.04 0.56 -0.04 0.00 0.00 0.00 0.00 19.45 21.01 3f1f n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1f s ALA 173 N -2.02 -1.97 -0.07 0.00 0.00 0.20 -1.25 121.76 116.65 3f1f s ALA 173 Ca 0.23 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.56 3f1f s ALA 173 Cb -0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 3f1f s ALA 173 CO 0.05 -0.44 0.35 0.08 0.00 0.00 0.00 175.76 175.80 3f1f s VAL 174 N -1.82 5.18 0.06 0.00 1.01 -0.90 0.24 120.40 124.17 3f1f s VAL 174 Ca 0.04 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.76 3f1f s VAL 174 Cb -0.01 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3f1f s VAL 174 CO -0.03 0.52 -0.13 0.68 0.00 0.00 0.00 175.10 176.14 3f1f s VAL 175 N -0.55 0.97 0.64 2.92 -7.23 0.13 -2.48 120.40 114.81 3f1f s VAL 175 Ca 0.21 -1.24 -0.17 0.00 -1.81 0.00 0.00 61.98 58.97 3f1f s VAL 175 Cb -0.15 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 3f1f s VAL 175 CO 0.10 -0.26 0.96 -2.65 -0.31 0.00 0.00 175.10 172.94 3f1f n PRO 176 N 1.35 0.76 -3.56 4.82 -0.02 -1.26 -1.14 135.00 135.95 3f1f n PRO 176 Ca -0.21 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 3f1f n PRO 176 Cb 0.54 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.73 3f1f n PRO 176 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3f1f s PRO 177 N -2.95 3.83 0.40 0.52 0.05 -1.26 -4.72 135.00 130.87 3f1f s PRO 177 Ca 0.76 -0.38 -0.26 0.00 0.05 0.00 0.00 61.00 61.17 3f1f s PRO 177 Cb -0.39 -3.70 -0.09 0.00 0.05 0.00 0.00 34.50 30.37 3f1f s PRO 177 CO 0.47 -0.26 1.24 -1.83 0.05 0.00 0.00 177.00 176.67 3f1f s GLU 178 N 1.78 4.02 0.17 4.56 -1.05 -1.26 -5.01 118.70 121.91 3f1f s GLU 178 Ca 0.07 2.00 -0.01 0.00 -0.15 0.00 0.00 54.97 56.89 3f1f s GLU 178 Cb -0.16 -2.73 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 3f1f s GLU 178 CO 0.11 -0.40 0.23 -0.40 0.95 0.00 0.00 175.26 175.75 3f1f n ASP 179 N 0.13 -0.62 0.07 0.83 3.85 -1.26 -5.07 116.55 114.48 3f1f n ASP 179 Ca 0.04 -1.91 -0.08 0.00 -0.71 0.00 0.00 54.79 52.13 3f1f n ASP 179 Cb 0.45 1.18 -0.11 0.00 -1.35 0.00 0.00 41.12 41.28 3f1f n ASP 179 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 3f1f h VAL 180 N 1.48 1.67 -0.08 2.12 -1.51 -2.01 -3.08 116.25 114.83 3f1f h VAL 180 Ca -0.13 -3.31 -0.05 0.00 -1.23 0.00 0.00 66.70 61.98 3f1f h VAL 180 Cb 0.56 2.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.55 3f1f h VAL 180 CO 0.17 0.95 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.95 3f1f h GLU 181 N 0.02 0.14 -0.31 5.19 4.39 -2.00 -1.07 114.58 120.92 3f1f h GLU 181 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3f1f h GLU 181 Cb 1.78 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.39 3f1f h GLU 181 CO 0.14 0.32 0.15 -0.22 -1.16 0.00 0.00 179.01 178.25 3f1f h LYS 182 N 0.13 0.42 -0.59 2.33 3.64 -1.96 -2.93 116.57 117.61 3f1f h LYS 182 Ca 0.02 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3f1f h LYS 182 Cb 0.41 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3f1f h LYS 182 CO 0.03 0.33 0.34 -0.07 -2.27 0.00 0.00 179.45 177.81 3f1f h LEU 183 N 0.43 0.53 -0.53 5.20 3.38 -1.25 -1.65 115.31 121.41 3f1f h LEU 183 Ca 0.11 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3f1f h LEU 183 Cb 0.04 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 3f1f h LEU 183 CO -0.02 0.36 0.10 0.00 0.09 0.00 0.00 178.44 178.97 3f1f h ALA 184 N 1.28 0.60 -0.17 1.53 0.00 -1.60 -1.76 119.26 119.14 3f1f h ALA 184 Ca 0.25 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 3f1f h ALA 184 Cb 0.09 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3f1f h ALA 184 CO -0.13 -0.31 -0.11 1.49 0.00 0.00 0.00 179.25 180.19 3f1f h GLU 185 N 0.23 0.36 0.60 0.00 4.57 -1.58 -2.98 114.58 115.79 3f1f h GLU 185 Ca 0.27 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3f1f h GLU 185 Cb 0.38 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3f1f h GLU 185 CO -0.36 0.70 -0.48 0.93 -1.18 0.00 0.00 179.01 178.62 3f1f h GLU 186 N 0.03 -1.01 0.00 1.92 5.08 -0.88 -2.70 114.58 117.01 3f1f h GLU 186 Ca 0.03 0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3f1f h GLU 186 Cb 0.60 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3f1f h GLU 186 CO 0.03 -0.68 -0.08 0.00 -1.00 0.00 0.00 179.01 177.28 3f1f h ALA 187 N -1.06 1.26 0.14 3.43 0.00 -1.45 -3.23 119.26 118.35 3f1f h ALA 187 Ca -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3f1f h ALA 187 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3f1f h ALA 187 CO 0.01 0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.29 3f1f h ALA 188 N 1.92 -0.52 0.00 0.00 0.00 -1.33 -3.52 119.26 115.82 3f1f h ALA 188 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3f1f h ALA 188 Cb 0.26 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3f1f h ALA 188 CO 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.76