#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0f s LYS 2 N 0.00 1.55 -0.22 2.12 1.02 -0.85 -1.47 119.74 121.89 1a0f s LYS 2 Ca 0.00 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.46 1a0f s LYS 2 Cb 0.00 -1.34 -0.02 0.00 -0.52 0.00 0.00 37.83 35.95 1a0f s LYS 2 CO 0.00 0.15 0.02 -1.17 -0.92 0.00 0.00 175.35 173.42 1a0f s LEU 3 N 0.26 3.26 -0.25 3.17 2.96 0.15 -1.10 118.68 127.13 1a0f s LEU 3 Ca -0.07 -0.23 -0.22 0.00 -0.22 0.00 0.00 54.13 53.39 1a0f s LEU 3 Cb -0.12 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1a0f s LEU 3 CO 0.02 0.02 0.69 -0.36 -1.32 0.00 0.00 176.35 175.41 1a0f s PHE 4 N 1.27 3.29 0.30 5.38 0.08 -0.59 -1.14 117.98 126.56 1a0f s PHE 4 Ca 0.04 0.91 0.05 0.00 0.12 0.00 0.00 56.93 58.05 1a0f s PHE 4 Cb -0.15 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.36 1a0f s PHE 4 CO 0.01 -0.36 0.26 1.52 -0.10 0.00 0.00 175.22 176.56 1a0f s TYR 5 N 2.62 1.58 -0.06 0.36 1.13 -0.66 -3.29 117.35 119.02 1a0f s TYR 5 Ca 0.29 -1.58 -0.02 0.00 -1.41 0.00 0.00 57.07 54.35 1a0f s TYR 5 Cb -0.15 -0.64 0.04 0.00 -1.10 0.00 0.00 41.96 40.11 1a0f s TYR 5 CO 0.08 -0.84 0.12 0.21 -2.51 0.00 0.00 175.55 172.61 1a0f s LYS 6 N -3.57 0.03 -0.28 -3.49 2.20 -1.26 -1.33 119.74 112.04 1a0f s LYS 6 Ca 0.40 0.41 -0.42 0.00 -0.36 0.00 0.00 55.97 56.00 1a0f s LYS 6 Cb 0.03 -0.27 -0.18 0.00 -1.51 0.00 0.00 37.83 35.91 1a0f s LYS 6 CO 0.24 -0.24 1.57 -2.30 -0.36 0.00 0.00 175.35 174.26 1a0f n PRO 7 N 4.74 0.61 0.00 4.03 -0.02 -1.26 -1.35 135.00 141.75 1a0f n PRO 7 Ca -0.16 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1a0f n PRO 7 Cb 0.51 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1a0f n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a0f n GLY 8 N 3.61 3.01 2.06 -1.23 0.00 -1.26 -5.01 105.19 106.37 1a0f n GLY 8 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 1a0f n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0f n ALA 9 N -0.28 -3.24 0.30 4.61 0.00 -0.46 -4.83 120.51 116.62 1a0f n ALA 9 Ca 0.00 -0.99 0.17 0.00 0.00 0.00 0.00 53.44 52.61 1a0f n ALA 9 Cb 0.00 -0.09 0.76 0.00 0.00 0.00 0.00 19.45 20.12 1a0f n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a0f h SER 11 N 0.00 0.00 -0.81 0.00 4.64 -1.86 -2.51 113.55 113.01 1a0f h SER 11 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1a0f h SER 11 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 1a0f h SER 11 CO 0.00 0.00 0.53 0.25 -0.87 0.00 0.00 176.83 176.74 1a0f h LEU 12 N 0.00 0.79 -0.46 5.97 5.85 -1.81 -0.12 115.31 125.53 1a0f h LEU 12 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1a0f h LEU 12 Cb 0.00 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1a0f h LEU 12 CO 0.00 0.51 0.29 0.00 -0.34 0.00 0.00 178.44 178.90 1a0f h ALA 13 N 1.56 0.58 -0.25 1.25 0.00 -1.68 0.18 119.26 120.89 1a0f h ALA 13 Ca 0.35 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1a0f h ALA 13 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1a0f h ALA 13 CO -0.12 0.05 -0.41 0.77 0.00 0.00 0.00 179.25 179.54 1a0f h SER 14 N 0.61 0.65 -0.40 0.00 0.02 -1.61 -1.99 113.55 110.83 1a0f h SER 14 Ca 0.17 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1a0f h SER 14 Cb -0.04 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1a0f h SER 14 CO -0.03 0.98 0.13 -0.74 -1.14 0.00 0.00 176.83 176.03 1a0f h HIS 15 N 0.50 0.65 -0.57 3.45 6.17 -0.65 0.58 115.15 125.27 1a0f h HIS 15 Ca 0.04 -0.06 -0.04 0.00 0.71 0.00 0.00 60.37 61.01 1a0f h HIS 15 Cb 0.93 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.65 1a0f h HIS 15 CO 0.04 0.60 0.19 0.82 0.71 0.00 0.00 177.93 180.29 1a0f h ILE 16 N 0.51 1.24 -0.85 6.26 2.04 -0.64 -2.60 117.51 123.46 1a0f h ILE 16 Ca 0.13 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1a0f h ILE 16 Cb 0.25 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1a0f h ILE 16 CO -0.00 0.30 0.41 0.74 0.00 0.00 0.00 178.15 179.59 1a0f h THR 17 N 0.79 1.26 -0.80 -0.27 2.02 -1.01 0.12 112.91 115.02 1a0f h THR 17 Ca 0.19 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1a0f h THR 17 Cb 0.26 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1a0f h THR 17 CO -0.01 0.31 0.45 -0.07 0.37 0.00 0.00 175.52 176.57 1a0f h LEU 18 N 1.21 0.98 -0.11 2.58 3.38 -0.66 -1.37 115.31 121.32 1a0f h LEU 18 Ca 0.29 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 1a0f h LEU 18 Cb 0.11 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.63 1a0f h LEU 18 CO -0.04 0.78 -0.76 0.03 0.09 0.00 0.00 178.44 178.55 1a0f h ARG 19 N 1.11 0.71 0.00 1.13 3.08 -1.07 -2.53 114.38 116.82 1a0f h ARG 19 Ca 0.28 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1a0f h ARG 19 Cb 0.01 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1a0f h ARG 19 CO -0.05 1.22 -0.04 0.93 -1.07 0.00 0.00 179.97 180.96 1a0f h GLU 20 N 0.41 0.00 -0.03 0.04 4.39 -0.70 -2.63 114.58 116.06 1a0f h GLU 20 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1a0f h GLU 20 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1a0f h GLU 20 CO 0.15 0.04 -0.08 -1.13 -1.16 0.00 0.00 179.01 176.83 1a0f n SER 21 N -3.22 2.65 -0.91 1.42 3.41 -0.54 -4.97 113.62 111.45 1a0f n SER 21 Ca -0.01 -1.85 -0.07 0.00 -0.26 0.00 0.00 58.87 56.69 1a0f n SER 21 Cb 0.24 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1a0f n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a0f n GLY 22 N 1.34 0.22 3.92 5.00 0.00 -0.99 -4.94 105.19 109.74 1a0f n GLY 22 Ca 0.14 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1a0f n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0f s LYS 23 N -4.61 3.35 -0.14 1.61 -0.14 -0.96 -5.07 119.74 113.78 1a0f s LYS 23 Ca 0.05 0.01 -0.03 0.00 -1.36 0.00 0.00 55.97 54.64 1a0f s LYS 23 Cb -0.02 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1a0f s LYS 23 CO 0.06 -0.27 -0.04 0.34 -0.76 0.00 0.00 175.35 174.68 1a0f s ASP 24 N -4.15 4.80 0.24 2.83 2.15 -1.26 -4.79 116.67 116.49 1a0f s ASP 24 Ca 0.48 -0.11 -0.18 0.00 0.43 0.00 0.00 52.55 53.18 1a0f s ASP 24 Cb -0.10 -1.71 0.02 0.00 -0.30 0.00 0.00 42.92 40.82 1a0f s ASP 24 CO 0.43 0.20 0.59 0.72 -0.17 0.00 0.00 175.17 176.93 1a0f s PHE 25 N 0.19 -0.02 -0.09 -5.34 -0.71 -1.26 -4.42 117.98 106.33 1a0f s PHE 25 Ca -0.02 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.54 1a0f s PHE 25 Cb -0.14 0.46 -0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1a0f s PHE 25 CO 0.03 -1.06 -0.24 0.99 -1.34 0.00 0.00 175.22 173.60 1a0f s THR 26 N -3.93 2.14 -0.19 -4.49 2.01 -0.54 -4.99 115.64 105.64 1a0f s THR 26 Ca 0.14 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 1a0f s THR 26 Cb -0.03 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1a0f s THR 26 CO 0.04 0.56 0.51 -0.22 -0.69 0.00 0.00 174.62 174.83 1a0f s LEU 27 N 0.16 4.17 -0.24 4.42 2.96 -1.26 -0.67 118.68 128.22 1a0f s LEU 27 Ca -0.13 0.70 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1a0f s LEU 27 Cb -0.16 -2.71 0.05 0.00 0.50 0.00 0.00 46.19 43.87 1a0f s LEU 27 CO 0.07 -0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.14 1a0f s VAL 28 N 1.47 2.06 0.31 1.68 1.01 -0.30 -4.95 120.40 121.69 1a0f s VAL 28 Ca 0.24 -1.42 -0.28 0.00 0.00 0.00 0.00 61.98 60.52 1a0f s VAL 28 Cb -0.15 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 1a0f s VAL 28 CO 0.10 0.09 1.12 -0.55 0.00 0.00 0.00 175.10 175.86 1a0f s SER 29 N 1.18 7.07 -0.08 3.32 0.15 -1.26 -1.66 113.70 122.42 1a0f s SER 29 Ca -0.05 2.29 0.04 0.00 0.70 0.00 0.00 55.95 58.92 1a0f s SER 29 Cb -0.18 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1a0f s SER 29 CO -0.07 -0.29 -0.20 -0.69 1.20 0.00 0.00 173.24 173.19 1a0f s VAL 30 N -1.26 1.74 -0.62 4.45 1.01 -0.44 -2.25 120.40 123.03 1a0f s VAL 30 Ca 0.48 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1a0f s VAL 30 Cb -0.31 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.60 1a0f s VAL 30 CO 0.40 0.49 1.05 -0.62 0.00 0.00 0.00 175.10 176.41 1a0f s ASP 31 N 0.34 6.28 0.42 3.32 -1.08 -0.06 -4.72 116.67 121.16 1a0f s ASP 31 Ca -0.14 -0.47 0.29 0.00 -0.52 0.00 0.00 52.55 51.71 1a0f s ASP 31 Cb -0.16 -2.47 1.17 0.00 -1.46 0.00 0.00 42.92 40.00 1a0f s ASP 31 CO 0.06 -1.43 1.86 -0.07 0.52 0.00 0.00 175.17 176.11 1a0f h LEU 32 N 11.58 0.00 0.04 -1.34 3.38 -1.95 0.58 115.31 127.60 1a0f h LEU 32 Ca -0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1a0f h LEU 32 Cb 1.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 1a0f h LEU 32 CO 1.16 0.00 -0.32 0.24 0.09 0.00 0.00 178.44 179.61 1a0f h MET 33 N 0.00 0.15 -0.00 1.13 2.86 -1.97 -3.35 114.93 113.74 1a0f h MET 33 Ca 0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1a0f h MET 33 Cb 0.46 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1a0f h MET 33 CO 0.00 1.04 -0.52 1.63 1.06 0.00 0.00 176.91 180.12 1a0f n LYS 34 N -4.43 0.06 -3.70 1.72 4.01 -1.21 -4.98 118.16 109.64 1a0f n LYS 34 Ca -0.11 -0.04 -0.22 0.00 -0.51 0.00 0.00 58.31 57.43 1a0f n LYS 34 Cb 0.59 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.65 1a0f n LYS 34 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1a0f n LYS 35 N -1.43 -5.28 -4.65 1.97 4.01 0.20 -4.88 118.16 108.10 1a0f n LYS 35 Ca 0.06 0.65 -0.25 0.00 -0.51 0.00 0.00 58.31 58.26 1a0f n LYS 35 Cb 0.34 -5.31 -0.14 0.00 -0.51 0.00 0.00 35.03 29.40 1a0f n LYS 35 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1a0f s ARG 36 N -6.01 1.36 0.72 1.97 1.81 -1.03 -0.06 118.95 117.72 1a0f s ARG 36 Ca 0.11 -0.89 -0.11 0.00 -1.72 0.00 0.00 55.73 53.11 1a0f s ARG 36 Cb -0.05 -1.44 0.02 0.00 -0.45 0.00 0.00 34.95 33.03 1a0f s ARG 36 CO 0.80 0.37 1.10 -0.51 -0.68 0.00 0.00 175.30 176.39 1a0f s LEU 37 N -1.08 2.85 0.45 2.53 1.43 0.35 -0.88 118.68 124.33 1a0f s LEU 37 Ca 0.07 1.06 0.17 0.00 -1.03 0.00 0.00 54.13 54.40 1a0f s LEU 37 Cb -0.09 -3.81 0.95 0.00 0.03 0.00 0.00 46.19 43.27 1a0f s LEU 37 CO 0.01 -1.42 1.46 1.05 0.23 0.00 0.00 176.35 177.69 1a0f h GLU 38 N -0.70 0.00 -0.24 1.70 4.11 -1.80 0.59 114.58 118.24 1a0f h GLU 38 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1a0f h GLU 38 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1a0f h GLU 38 CO 0.64 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.99 1a0f n ASN 39 N -2.33 2.59 0.00 3.06 6.94 -1.26 -5.00 115.26 119.25 1a0f n ASN 39 Ca -0.01 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 1a0f n ASN 39 Cb 0.39 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 1a0f n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a0f n GLY 40 N 0.55 0.59 3.79 4.83 0.00 0.20 -5.06 105.19 110.09 1a0f n GLY 40 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1a0f n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a0f s ASP 41 N -2.53 5.86 0.09 1.61 1.01 -1.26 -4.65 116.67 116.79 1a0f s ASP 41 Ca 0.00 2.00 -0.31 0.00 0.71 0.00 0.00 52.55 54.95 1a0f s ASP 41 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1a0f s ASP 41 CO 0.00 -1.12 1.47 -0.62 0.21 0.00 0.00 175.17 175.11 1a0f s ASP 42 N -2.14 6.75 0.19 0.27 -1.08 -1.26 -0.49 116.67 118.91 1a0f s ASP 42 Ca 0.68 2.36 0.10 0.00 -0.52 0.00 0.00 52.55 55.16 1a0f s ASP 42 Cb -0.19 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.71 1a0f s ASP 42 CO 0.28 -0.73 1.41 0.22 0.52 0.00 0.00 175.17 176.87 1a0f h TYR 43 N 7.28 0.00 0.00 -5.34 3.20 -0.80 -3.08 116.97 118.23 1a0f h TYR 43 Ca -0.41 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 1a0f h TYR 43 Cb 1.20 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 1a0f h TYR 43 CO 0.70 0.81 -0.01 0.74 -1.64 0.00 0.00 178.16 178.75 1a0f h PHE 44 N 0.00 0.00 0.00 -3.82 0.04 -1.74 0.13 116.94 111.55 1a0f h PHE 44 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1a0f h PHE 44 Cb 1.50 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.65 1a0f h PHE 44 CO 0.00 0.01 -0.07 0.00 -0.60 0.00 0.00 178.31 177.65 1a0f h ALA 45 N 1.99 0.98 0.00 2.45 0.00 -1.91 -3.10 119.26 119.67 1a0f h ALA 45 Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1a0f h ALA 45 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a0f h ALA 45 CO 0.00 0.08 -1.28 0.28 0.00 0.00 0.00 179.25 178.34 1a0f n VAL 46 N -3.15 1.49 -4.00 0.00 0.31 0.26 -4.88 118.33 108.37 1a0f n VAL 46 Ca 0.02 0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 64.05 1a0f n VAL 46 Cb 0.44 -2.21 -0.15 0.00 -0.91 0.00 0.00 33.84 31.00 1a0f n VAL 46 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1a0f s ASN 47 N -6.36 4.26 0.50 4.52 2.47 0.00 -4.98 114.94 115.36 1a0f s ASN 47 Ca -0.28 -1.45 0.32 0.00 0.42 0.00 0.00 52.86 51.88 1a0f s ASN 47 Cb 0.06 -1.40 1.77 0.00 -1.45 0.00 0.00 41.25 40.24 1a0f s ASN 47 CO 0.41 -0.25 1.99 -0.65 -3.72 0.00 0.00 177.10 174.89 1a0f h PRO 48 N 7.83 0.00 0.00 0.43 0.11 -1.78 -0.96 132.00 137.63 1a0f h PRO 48 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1a0f h PRO 48 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1a0f h PRO 48 CO 0.45 0.00 -0.43 1.63 -0.21 0.00 0.00 178.00 179.44 1a0f n LYS 49 N -2.66 0.14 -1.28 1.05 5.02 -1.26 -4.97 118.16 114.20 1a0f n LYS 49 Ca -0.02 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1a0f n LYS 49 Cb 0.08 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.45 1a0f n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a0f n GLY 50 N 1.42 1.07 3.55 0.72 0.00 -0.36 -5.01 105.19 106.57 1a0f n GLY 50 Ca 0.05 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1a0f n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a0f s GLN 51 N -2.62 1.99 0.02 1.61 -0.21 -1.26 -5.00 119.66 114.20 1a0f s GLN 51 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.00 1a0f s GLN 51 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 1a0f s GLN 51 CO 0.00 0.41 0.10 0.14 -2.12 0.00 0.00 175.29 173.81 1a0f s VAL 52 N -1.90 4.77 0.53 1.09 -7.23 -1.26 -4.40 120.40 112.01 1a0f s VAL 52 Ca 0.26 -0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1a0f s VAL 52 Cb -0.08 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.65 1a0f s VAL 52 CO 0.15 0.29 0.79 -2.16 -0.31 0.00 0.00 175.10 173.86 1a0f s PRO 53 N -1.94 2.84 -0.10 4.82 0.04 -1.26 -4.66 135.00 134.74 1a0f s PRO 53 Ca 0.25 -0.39 -0.08 0.00 0.04 0.00 0.00 61.00 60.82 1a0f s PRO 53 Cb -0.12 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.02 1a0f s PRO 53 CO 0.17 -0.57 0.26 0.00 0.04 0.00 0.00 177.00 176.90 1a0f s ALA 54 N -2.78 -0.63 -0.17 8.56 0.00 -1.21 -3.89 121.76 121.64 1a0f s ALA 54 Ca 0.53 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 1a0f s ALA 54 Cb -0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1a0f s ALA 54 CO 0.41 -0.15 -0.13 -1.17 0.00 0.00 0.00 175.76 174.72 1a0f s LEU 55 N 0.56 2.58 -0.41 0.00 2.96 0.35 -1.55 118.68 123.18 1a0f s LEU 55 Ca -0.03 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 1a0f s LEU 55 Cb -0.05 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 45.05 1a0f s LEU 55 CO -0.03 0.07 0.36 -0.22 -1.32 0.00 0.00 176.35 175.20 1a0f s LEU 56 N 0.94 4.92 0.80 -0.68 2.96 -0.26 -1.07 118.68 126.29 1a0f s LEU 56 Ca -0.02 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.05 1a0f s LEU 56 Cb -0.15 -2.27 0.07 0.00 0.50 0.00 0.00 46.19 44.35 1a0f s LEU 56 CO -0.01 -0.48 1.09 -0.76 -1.32 0.00 0.00 176.35 174.86 1a0f s LEU 57 N 1.90 2.71 0.20 -0.68 1.43 0.20 -2.00 118.68 122.44 1a0f s LEU 57 Ca 0.09 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.62 1a0f s LEU 57 Cb -0.18 -4.17 0.17 0.00 0.03 0.00 0.00 46.19 42.04 1a0f s LEU 57 CO 0.12 -2.08 1.84 0.44 0.23 0.00 0.00 176.35 176.89 1a0f h ASP 58 N -1.16 0.66 0.21 2.29 5.19 -1.96 0.07 116.42 121.71 1a0f h ASP 58 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1a0f h ASP 58 Cb 1.25 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1a0f h ASP 58 CO 0.55 0.45 0.00 -0.90 -3.12 0.00 0.00 179.24 176.23 1a0f n ASP 59 N -4.70 0.01 0.00 6.45 5.68 -1.26 -4.81 116.55 117.91 1a0f n ASP 59 Ca 0.07 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 1a0f n ASP 59 Cb 0.09 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 1a0f n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a0f n GLY 60 N -0.89 0.37 3.74 6.12 0.00 0.01 -5.07 105.19 109.48 1a0f n GLY 60 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1a0f n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0f s THR 61 N -2.00 2.87 -0.21 2.61 2.01 -1.25 -4.69 115.64 114.98 1a0f s THR 61 Ca 0.00 0.71 -0.07 0.00 0.31 0.00 0.00 61.69 62.64 1a0f s THR 61 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1a0f s THR 61 CO 0.00 0.10 0.05 -0.22 -0.69 0.00 0.00 174.62 173.87 1a0f s LEU 62 N -0.13 3.55 -0.12 4.42 1.98 -1.26 0.61 118.68 127.73 1a0f s LEU 62 Ca 0.59 -0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.76 1a0f s LEU 62 Cb -0.40 -1.92 -0.01 0.00 0.66 0.00 0.00 46.19 44.53 1a0f s LEU 62 CO 0.40 0.07 -0.18 -0.22 -1.89 0.00 0.00 176.35 174.53 1a0f s LEU 63 N 0.99 2.41 0.51 -0.68 2.96 -0.23 -4.98 118.68 119.67 1a0f s LEU 63 Ca 0.03 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1a0f s LEU 63 Cb -0.14 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 1a0f s LEU 63 CO 0.03 0.15 0.11 0.42 -1.32 0.00 0.00 176.35 175.74 1a0f s THR 64 N 0.40 1.33 0.01 3.68 -4.23 -1.26 -0.50 115.64 115.07 1a0f s THR 64 Ca -0.14 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1a0f s THR 64 Cb -0.17 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1a0f s THR 64 CO 0.06 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.52 1a0f n GLU 65 N -1.38 -1.54 -0.19 3.99 -0.58 -1.25 -4.36 120.64 115.33 1a0f n GLU 65 Ca -0.14 1.47 -0.04 0.00 -0.42 0.00 0.00 57.16 58.03 1a0f n GLU 65 Cb 0.66 -1.69 0.03 0.00 -0.57 0.00 0.00 31.44 29.87 1a0f n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1a0f h GLY 66 N 1.25 0.12 0.64 0.62 0.00 -1.93 -0.73 103.07 103.04 1a0f h GLY 66 Ca 0.00 0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.76 1a0f h GLY 66 CO 0.00 -0.22 0.59 -2.08 0.00 0.00 0.00 176.54 174.82 1a0f h VAL 67 N -0.11 0.93 -0.08 4.60 2.07 -1.96 -0.03 116.25 121.68 1a0f h VAL 67 Ca 0.25 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1a0f h VAL 67 Cb 0.51 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1a0f h VAL 67 CO -0.63 0.16 -0.10 0.00 0.02 0.00 0.00 177.57 177.02 1a0f h ALA 68 N 1.56 0.12 -0.54 1.67 0.00 -1.43 -2.74 119.26 117.90 1a0f h ALA 68 Ca 0.44 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1a0f h ALA 68 Cb 0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1a0f h ALA 68 CO -0.20 -0.04 0.28 0.82 0.00 0.00 0.00 179.25 180.11 1a0f h ILE 69 N -0.24 0.95 -0.42 0.00 2.04 -0.76 -1.51 117.51 117.57 1a0f h ILE 69 Ca 0.01 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1a0f h ILE 69 Cb 0.63 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1a0f h ILE 69 CO 0.02 0.10 0.03 0.24 0.00 0.00 0.00 178.15 178.54 1a0f h MET 70 N 0.53 0.67 -0.24 2.37 2.86 -1.01 -1.97 114.93 118.14 1a0f h MET 70 Ca 0.24 -0.15 -0.18 0.00 -2.06 0.00 0.00 59.70 57.55 1a0f h MET 70 Cb 0.15 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1a0f h MET 70 CO -0.17 0.66 -0.55 1.96 1.06 0.00 0.00 176.91 179.88 1a0f h GLN 71 N 0.64 0.80 -0.50 1.72 4.20 -1.31 -1.67 115.11 118.99 1a0f h GLN 71 Ca 0.13 -0.54 0.03 0.00 0.06 0.00 0.00 58.65 58.34 1a0f h GLN 71 Cb 0.35 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1a0f h GLN 71 CO 0.01 1.16 0.28 -0.92 -0.67 0.00 0.00 178.83 178.70 1a0f h TYR 72 N 0.55 0.53 -0.30 2.96 3.20 -0.85 -1.94 116.97 121.12 1a0f h TYR 72 Ca -0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1a0f h TYR 72 Cb 1.16 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1a0f h TYR 72 CO 0.08 0.29 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.68 1a0f h LEU 73 N 0.56 0.65 -0.36 2.82 3.38 -1.38 -2.73 115.31 118.25 1a0f h LEU 73 Ca 0.20 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1a0f h LEU 73 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1a0f h LEU 73 CO -0.11 0.91 0.12 0.00 0.09 0.00 0.00 178.44 179.45 1a0f h ALA 74 N 0.76 0.47 -0.31 1.53 0.00 -1.20 -2.88 119.26 117.63 1a0f h ALA 74 Ca 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1a0f h ALA 74 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1a0f h ALA 74 CO 0.04 0.10 0.02 -0.44 0.00 0.00 0.00 179.25 178.98 1a0f h ASP 75 N 0.43 0.42 0.71 0.00 3.32 -1.39 -2.47 116.42 117.45 1a0f h ASP 75 Ca 0.12 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1a0f h ASP 75 Cb 0.23 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1a0f h ASP 75 CO -0.01 0.47 0.00 0.77 -1.72 0.00 0.00 179.24 178.76 1a0f h SER 76 N 0.45 0.00 -2.13 6.45 4.64 -1.26 -3.27 113.55 118.43 1a0f h SER 76 Ca 0.10 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.84 1a0f h SER 76 Cb 0.26 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.94 1a0f h SER 76 CO 0.00 0.00 -0.79 1.33 -0.87 0.00 0.00 176.83 176.51 1a0f n VAL 77 N -3.08 1.37 -0.09 0.95 0.24 -0.93 -4.94 118.33 111.85 1a0f n VAL 77 Ca -0.00 -4.86 0.16 0.00 -2.04 0.00 0.00 64.34 57.59 1a0f n VAL 77 Cb 0.23 -1.88 0.56 0.00 -1.47 0.00 0.00 33.84 31.29 1a0f n VAL 77 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1a0f h PRO 78 N 3.93 0.27 0.00 7.34 0.13 -1.65 -0.96 132.00 141.06 1a0f h PRO 78 Ca 0.15 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1a0f h PRO 78 Cb 0.73 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1a0f h PRO 78 CO 0.70 0.18 -0.13 0.38 -0.23 0.00 0.00 178.00 178.90 1a0f h ASP 79 N 0.28 0.00 1.18 1.44 2.03 -1.91 -2.66 116.42 116.78 1a0f h ASP 79 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1a0f h ASP 79 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1a0f h ASP 79 CO -0.07 0.13 -0.13 0.54 -1.03 0.00 0.00 179.24 178.68 1a0f n ARG 80 N -3.88 0.18 -3.69 4.15 5.12 -0.36 -4.99 116.66 113.18 1a0f n ARG 80 Ca -0.02 0.12 -0.22 0.00 -1.93 0.00 0.00 57.85 55.80 1a0f n ARG 80 Cb 0.23 -1.68 0.03 0.00 -1.16 0.00 0.00 32.46 29.88 1a0f n ARG 80 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1a0f n GLN 81 N -1.98 -4.18 0.03 5.56 6.02 -1.01 -4.89 117.38 116.93 1a0f n GLN 81 Ca 0.06 0.60 0.12 0.00 -0.01 0.00 0.00 57.00 57.76 1a0f n GLN 81 Cb 0.40 -5.04 0.13 0.00 1.02 0.00 0.00 30.24 26.75 1a0f n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1a0f n LEU 82 N -4.21 0.62 -3.67 1.08 4.32 -1.26 -4.81 117.00 109.08 1a0f n LEU 82 Ca -0.26 0.04 -0.10 0.00 -0.02 0.00 0.00 56.01 55.66 1a0f n LEU 82 Cb 0.67 -0.16 -0.09 0.00 -1.62 0.00 0.00 43.42 42.22 1a0f n LEU 82 CO 0.68 0.05 0.22 -0.22 -1.22 0.00 0.00 177.39 176.90 1a0f s LEU 83 N -3.70 -0.40 0.71 2.23 2.96 -1.26 -2.23 118.68 116.98 1a0f s LEU 83 Ca 0.07 1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 55.02 1a0f s LEU 83 Cb 0.15 1.91 0.03 0.00 0.50 0.00 0.00 46.19 48.78 1a0f s LEU 83 CO 0.75 -0.21 1.15 0.00 -1.32 0.00 0.00 176.35 176.72 1a0f s ALA 84 N 1.07 2.25 0.66 5.97 0.00 -1.26 -4.91 121.76 125.54 1a0f s ALA 84 Ca -0.06 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 1a0f s ALA 84 Cb -0.06 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1a0f s ALA 84 CO -0.10 -1.64 1.14 -1.25 0.00 0.00 0.00 175.76 173.91 1a0f s PRO 85 N -4.11 2.74 0.27 0.00 0.04 -1.26 -4.64 135.00 128.04 1a0f s PRO 85 Ca 0.69 1.51 -0.28 0.00 0.04 0.00 0.00 61.00 62.96 1a0f s PRO 85 Cb -0.24 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 1a0f s PRO 85 CO 0.45 -1.32 1.00 0.28 0.04 0.00 0.00 177.00 177.45 1a0f n VAL 86 N -2.30 1.90 -0.91 -0.36 0.31 -1.26 -1.81 118.33 113.89 1a0f n VAL 86 Ca 0.11 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1a0f n VAL 86 Cb 0.51 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1a0f n VAL 86 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1a0f n ASN 87 N 1.34 0.00 -4.78 4.52 5.03 -1.26 -4.99 115.26 115.11 1a0f n ASN 87 Ca 0.10 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.18 1a0f n ASN 87 Cb 0.31 -0.27 -0.06 0.00 -1.02 0.00 0.00 39.78 38.73 1a0f n ASN 87 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1a0f s SER 88 N -2.92 6.75 0.46 6.41 1.04 -0.75 -4.95 113.70 119.74 1a0f s SER 88 Ca 0.00 0.89 0.15 0.00 0.48 0.00 0.00 55.95 57.47 1a0f s SER 88 Cb 0.00 -2.27 1.11 0.00 0.10 0.00 0.00 66.02 64.97 1a0f s SER 88 CO 0.00 0.18 2.02 -0.29 0.98 0.00 0.00 173.24 176.13 1a0f h ILE 89 N 4.16 0.91 -0.83 -1.02 6.09 -1.94 -1.35 117.51 123.53 1a0f h ILE 89 Ca -0.47 -0.10 0.09 0.00 -1.37 0.00 0.00 64.86 63.02 1a0f h ILE 89 Cb 1.20 0.60 -0.06 0.00 0.47 0.00 0.00 36.82 39.03 1a0f h ILE 89 CO 0.68 0.05 0.54 0.28 -3.07 0.00 0.00 178.15 176.64 1a0f h SER 90 N 0.28 0.74 -0.28 2.19 0.02 -1.92 -1.58 113.55 113.00 1a0f h SER 90 Ca 0.21 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1a0f h SER 90 Cb 0.45 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1a0f h SER 90 CO -0.04 0.44 0.15 -0.09 -1.14 0.00 0.00 176.83 176.15 1a0f h ARG 91 N 0.82 0.40 0.00 3.45 2.43 -1.49 -2.52 114.38 117.47 1a0f h ARG 91 Ca 0.38 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1a0f h ARG 91 Cb 0.39 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1a0f h ARG 91 CO -0.15 0.35 -0.22 1.88 -1.51 0.00 0.00 179.97 180.33 1a0f h TYR 92 N 0.34 0.00 -0.07 2.20 0.05 -1.34 -2.14 116.97 116.00 1a0f h TYR 92 Ca 0.10 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.67 1a0f h TYR 92 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1a0f h TYR 92 CO -0.03 0.22 -0.80 0.87 -1.05 0.00 0.00 178.16 177.37 1a0f h LYS 93 N 0.00 0.50 -0.48 4.88 1.79 -1.10 0.44 116.57 122.61 1a0f h LYS 93 Ca -0.00 -0.44 -0.11 0.00 -2.18 0.00 0.00 60.65 57.91 1a0f h LYS 93 Cb 0.67 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1a0f h LYS 93 CO 0.03 1.08 -0.15 1.15 -1.08 0.00 0.00 179.45 180.47 1a0f h THR 94 N 0.33 1.27 -0.17 -0.16 2.02 -1.11 -1.49 112.91 113.60 1a0f h THR 94 Ca -0.05 -1.30 -0.11 0.00 0.77 0.00 0.00 66.41 65.73 1a0f h THR 94 Cb 1.40 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1a0f h THR 94 CO 0.14 0.45 -0.36 0.40 0.37 0.00 0.00 175.52 176.52 1a0f h ILE 95 N 0.79 1.29 -0.35 3.11 2.04 -1.31 -0.02 117.51 123.07 1a0f h ILE 95 Ca 0.12 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 1a0f h ILE 95 Cb 0.71 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1a0f h ILE 95 CO 0.05 0.44 0.15 -0.08 0.00 0.00 0.00 178.15 178.72 1a0f h GLU 96 N 0.31 0.52 -0.55 2.37 4.81 -0.73 -1.28 114.58 120.03 1a0f h GLU 96 Ca 0.03 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1a0f h GLU 96 Cb 0.79 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1a0f h GLU 96 CO 0.06 0.50 0.18 -1.49 -0.73 0.00 0.00 179.01 177.53 1a0f h TRP 97 N 0.42 0.87 -0.90 0.92 4.06 -0.58 -1.59 115.95 119.15 1a0f h TRP 97 Ca 0.12 -0.08 0.05 0.00 2.06 0.00 0.00 58.89 61.04 1a0f h TRP 97 Cb 0.17 -0.25 -0.06 0.00 -1.00 0.00 0.00 29.16 28.02 1a0f h TRP 97 CO -0.01 0.73 0.57 -0.07 -3.56 0.00 0.00 178.44 176.11 1a0f h LEU 98 N 0.75 0.93 -0.31 -4.49 3.38 -0.84 0.11 115.31 114.84 1a0f h LEU 98 Ca 0.18 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 1a0f h LEU 98 Cb 0.26 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1a0f h LEU 98 CO -0.01 0.61 -0.79 -1.13 0.09 0.00 0.00 178.44 177.21 1a0f h ASN 99 N 1.07 0.54 -0.08 -0.43 -1.24 -1.00 -0.84 115.58 113.61 1a0f h ASN 99 Ca 0.38 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1a0f h ASN 99 Cb 0.11 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 1a0f h ASN 99 CO -0.15 1.14 0.03 0.22 -1.29 0.00 0.00 177.43 177.38 1a0f h TYR 100 N 0.29 0.12 -0.54 0.67 3.20 -0.78 0.66 116.97 120.58 1a0f h TYR 100 Ca -0.05 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1a0f h TYR 100 Cb 1.39 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 1a0f h TYR 100 CO 0.05 0.23 0.30 0.82 -1.64 0.00 0.00 178.16 177.92 1a0f h ILE 101 N -0.03 1.18 0.39 1.81 2.04 -0.78 0.39 117.51 122.52 1a0f h ILE 101 Ca 0.03 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1a0f h ILE 101 Cb 0.16 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1a0f h ILE 101 CO -0.00 0.20 -0.19 0.00 0.00 0.00 0.00 178.15 178.16 1a0f h ALA 102 N 1.13 -0.53 0.14 1.87 0.00 -0.89 0.11 119.26 121.10 1a0f h ALA 102 Ca 0.19 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 1a0f h ALA 102 Cb 0.05 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a0f h ALA 102 CO -0.03 -0.75 -1.42 1.79 0.00 0.00 0.00 179.25 178.84 1a0f h THR 103 N -0.61 1.30 0.00 0.00 1.35 -0.91 -2.55 112.91 111.49 1a0f h THR 103 Ca -0.05 -2.88 -0.34 0.00 -0.55 0.00 0.00 66.41 62.58 1a0f h THR 103 Cb 0.45 2.87 -0.06 0.00 -1.73 0.00 0.00 68.15 69.68 1a0f h THR 103 CO 0.09 0.85 -2.15 -0.62 -0.25 0.00 0.00 175.52 173.44 1a0f n GLU 104 N -3.52 0.67 -0.06 4.72 -0.58 0.12 -4.14 120.64 117.85 1a0f n GLU 104 Ca -0.14 0.10 -0.06 0.00 -0.42 0.00 0.00 57.16 56.64 1a0f n GLU 104 Cb 1.04 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 30.28 1a0f n GLU 104 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1a0f n LEU 105 N -2.85 1.45 0.18 -4.62 4.77 -1.01 -3.91 117.00 111.01 1a0f n LEU 105 Ca -0.27 0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 1a0f n LEU 105 Cb 1.12 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1a0f n LEU 105 CO 0.44 -0.37 0.55 -0.74 -1.33 0.00 0.00 177.39 175.94 1a0f h HIS 106 N -0.69 -1.34 0.00 -1.77 2.76 -0.92 -0.25 115.15 112.94 1a0f h HIS 106 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1a0f h HIS 106 Cb 0.69 0.55 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1a0f h HIS 106 CO -0.30 -0.59 0.00 0.87 -1.30 0.00 0.00 177.93 176.61 1a0f h LYS 107 N -0.81 0.00 0.00 5.26 1.79 -1.63 -1.41 116.57 119.77 1a0f h LYS 107 Ca -0.02 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 1a0f h LYS 107 Cb 0.77 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1a0f h LYS 107 CO -0.19 0.00 -0.60 0.78 -1.08 0.00 0.00 179.45 178.36 1a0f h GLY 108 N 2.01 0.00 1.86 3.86 0.00 -1.41 -3.16 103.07 106.23 1a0f h GLY 108 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1a0f h GLY 108 CO 0.00 0.00 -1.09 0.74 0.00 0.00 0.00 176.54 176.19 1a0f h PHE 109 N 0.00 0.09 -0.94 5.60 0.04 0.04 -3.40 116.94 118.37 1a0f h PHE 109 Ca -0.01 -0.06 0.18 0.00 2.80 0.00 0.00 57.97 60.88 1a0f h PHE 109 Cb 1.20 -0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.18 1a0f h PHE 109 CO 0.00 1.05 -0.26 2.41 -0.60 0.00 0.00 178.31 180.92 1a0f n THR 110 N -3.36 -0.41 0.26 -1.55 -1.04 -1.04 -1.13 114.28 106.00 1a0f n THR 110 Ca -0.03 2.15 0.09 0.00 -2.04 0.00 0.00 64.05 64.22 1a0f n THR 110 Cb 0.96 -2.96 0.65 0.00 -1.82 0.00 0.00 70.33 67.17 1a0f n THR 110 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1a0f h PRO 111 N 0.00 0.00 -0.16 -2.82 0.11 -1.78 -1.27 132.00 126.08 1a0f h PRO 111 Ca 0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.46 1a0f h PRO 111 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1a0f h PRO 111 CO -0.96 0.06 -0.25 -0.07 -0.21 0.00 0.00 178.00 176.56 1a0f h LEU 112 N 0.00 0.29 -1.97 2.35 3.38 -1.42 -2.87 115.31 115.08 1a0f h LEU 112 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1a0f h LEU 112 Cb 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1a0f h LEU 112 CO 0.01 0.56 0.00 0.49 0.09 0.00 0.00 178.44 179.58 1a0f n PHE 113 N -4.15 0.84 -4.32 1.13 3.72 -0.49 -4.90 117.46 109.30 1a0f n PHE 113 Ca -0.01 -0.35 -0.25 0.00 -0.05 0.00 0.00 57.45 56.79 1a0f n PHE 113 Cb 0.37 -0.13 -0.13 0.00 -0.94 0.00 0.00 39.48 38.66 1a0f n PHE 113 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1a0f s ARG 114 N -1.65 1.22 -0.07 -1.08 0.52 -1.08 -5.07 118.95 111.73 1a0f s ARG 114 Ca 0.31 -1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 54.03 1a0f s ARG 114 Cb 0.19 -1.54 -0.24 0.00 0.52 0.00 0.00 34.95 33.88 1a0f s ARG 114 CO 0.16 0.36 0.97 -1.00 0.02 0.00 0.00 175.30 175.81 1a0f h PRO 115 N 3.96 0.11 0.00 3.54 0.13 -1.90 -3.34 132.00 134.51 1a0f h PRO 115 Ca -0.47 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1a0f h PRO 115 Cb 1.18 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1a0f h PRO 115 CO 0.40 0.92 0.08 -0.40 -0.23 0.00 0.00 178.00 178.77 1a0f n ASP 116 N -4.55 0.05 -4.62 1.44 5.68 -1.26 -4.48 116.55 108.81 1a0f n ASP 116 Ca -0.10 0.45 -0.43 0.00 -0.50 0.00 0.00 54.79 54.21 1a0f n ASP 116 Cb 0.49 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 1a0f n ASP 116 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1a0f s THR 117 N -2.91 3.85 0.40 2.12 2.01 -1.25 -4.96 115.64 114.89 1a0f s THR 117 Ca -0.00 0.94 -0.26 0.00 0.31 0.00 0.00 61.69 62.68 1a0f s THR 117 Cb 0.01 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 1a0f s THR 117 CO 0.02 -0.42 1.30 -0.81 -0.69 0.00 0.00 174.62 174.02 1a0f n PRO 118 N 7.65 2.04 0.24 4.92 -0.04 -1.26 -4.91 135.00 143.64 1a0f n PRO 118 Ca 0.17 0.72 0.07 0.00 -0.04 0.00 0.00 63.50 64.43 1a0f n PRO 118 Cb 0.46 -2.40 0.60 0.00 -0.04 0.00 0.00 33.50 32.12 1a0f n PRO 118 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1a0f h GLU 119 N 2.27 0.03 0.00 0.54 4.39 -1.93 -1.49 114.58 118.39 1a0f h GLU 119 Ca -0.48 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1a0f h GLU 119 Cb 1.29 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1a0f h GLU 119 CO 0.61 0.06 0.00 -0.85 -1.16 0.00 0.00 179.01 177.67 1a0f n GLU 120 N -4.49 0.08 0.02 2.33 0.00 -1.26 -2.97 120.64 114.34 1a0f n GLU 120 Ca -0.03 0.06 -0.06 0.00 0.00 0.00 0.00 57.16 57.14 1a0f n GLU 120 Cb 0.12 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.94 1a0f n GLU 120 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1a0f h TYR 121 N 0.00 0.00 -0.93 -1.84 3.20 -1.63 -3.38 116.97 112.38 1a0f h TYR 121 Ca 0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 1a0f h TYR 121 Cb 0.40 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 1a0f h TYR 121 CO 0.00 0.89 0.60 0.87 -1.64 0.00 0.00 178.16 178.88 1a0f h LYS 122 N 0.00 0.60 -0.35 1.82 1.57 -1.50 -1.81 116.57 116.90 1a0f h LYS 122 Ca -0.18 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1a0f h LYS 122 Cb 1.84 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 1a0f h LYS 122 CO 0.08 0.40 0.00 -1.35 -0.57 0.00 0.00 179.45 178.01 1a0f h PRO 123 N 0.62 0.55 -0.29 3.15 0.11 -1.78 -2.25 132.00 132.12 1a0f h PRO 123 Ca 0.50 -0.12 -0.14 0.00 0.11 0.00 0.00 66.00 66.34 1a0f h PRO 123 Cb 0.93 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1a0f h PRO 123 CO -0.25 0.58 -0.37 1.15 -0.21 0.00 0.00 178.00 178.90 1a0f h THR 124 N 0.53 1.30 -0.33 -1.15 2.02 -1.58 -2.11 112.91 111.58 1a0f h THR 124 Ca 0.11 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.71 1a0f h THR 124 Cb 0.34 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1a0f h THR 124 CO 0.01 0.50 0.13 0.58 0.37 0.00 0.00 175.52 177.11 1a0f h VAL 125 N 0.52 1.19 -0.49 3.16 2.07 -1.33 -0.27 116.25 121.09 1a0f h VAL 125 Ca 0.03 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1a0f h VAL 125 Cb 0.96 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1a0f h VAL 125 CO 0.09 0.20 0.30 0.03 0.02 0.00 0.00 177.57 178.21 1a0f h ARG 126 N 0.39 0.67 -0.47 1.57 3.08 -1.43 -0.24 114.38 117.95 1a0f h ARG 126 Ca 0.11 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1a0f h ARG 126 Cb 0.19 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1a0f h ARG 126 CO -0.01 0.49 0.27 0.00 -1.07 0.00 0.00 179.97 179.65 1a0f h ALA 127 N 1.14 0.59 -0.69 0.04 0.00 -1.12 -0.31 119.26 118.92 1a0f h ALA 127 Ca 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1a0f h ALA 127 Cb -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1a0f h ALA 127 CO -0.03 -0.04 0.20 1.96 0.00 0.00 0.00 179.25 181.34 1a0f h GLN 128 N 0.54 1.09 -0.56 0.00 4.20 -0.55 -2.70 115.11 117.13 1a0f h GLN 128 Ca 0.19 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1a0f h GLN 128 Cb 0.03 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1a0f h GLN 128 CO -0.09 0.95 0.17 -0.07 -0.67 0.00 0.00 178.83 179.12 1a0f h LEU 129 N 1.03 0.81 -1.33 1.46 3.38 -0.45 -2.63 115.31 117.58 1a0f h LEU 129 Ca 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1a0f h LEU 129 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1a0f h LEU 129 CO -0.00 0.80 0.13 -0.33 0.09 0.00 0.00 178.44 179.13 1a0f h GLU 130 N 0.78 0.58 -0.32 1.13 5.08 -0.93 -1.26 114.58 119.64 1a0f h GLU 130 Ca 0.18 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1a0f h GLU 130 Cb 0.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1a0f h GLU 130 CO -0.01 0.51 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.09 1a0f h LYS 131 N 0.58 0.61 -0.20 2.33 1.63 -1.29 -2.45 116.57 117.78 1a0f h LYS 131 Ca 0.14 -0.22 -0.20 0.00 -0.85 0.00 0.00 60.65 59.51 1a0f h LYS 131 Cb 0.17 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1a0f h LYS 131 CO -0.01 0.78 -0.68 0.87 -3.45 0.00 0.00 179.45 176.95 1a0f h LYS 132 N 0.54 0.78 0.00 1.90 1.57 -1.08 -3.03 116.57 117.25 1a0f h LYS 132 Ca 0.08 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1a0f h LYS 132 Cb 0.66 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1a0f h LYS 132 CO 0.05 1.20 -0.03 -0.07 -0.57 0.00 0.00 179.45 180.03 1a0f h LEU 133 N 0.56 0.00 -0.47 2.94 3.38 -1.07 0.33 115.31 120.99 1a0f h LEU 133 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1a0f h LEU 133 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1a0f h LEU 133 CO 0.14 0.03 -0.50 1.56 0.09 0.00 0.00 178.44 179.76 1a0f h GLN 134 N 0.00 0.71 -0.35 1.13 4.20 -1.33 0.80 115.11 120.26 1a0f h GLN 134 Ca -0.00 -0.42 -0.12 0.00 0.06 0.00 0.00 58.65 58.17 1a0f h GLN 134 Cb 0.05 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1a0f h GLN 134 CO 0.00 1.04 -0.26 -0.92 -0.67 0.00 0.00 178.83 178.02 1a0f h TYR 135 N 0.55 0.83 -0.46 2.96 3.20 -0.90 -2.27 116.97 120.88 1a0f h TYR 135 Ca 0.02 -0.20 -0.14 0.00 3.14 0.00 0.00 58.73 61.56 1a0f h TYR 135 Cb 1.06 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1a0f h TYR 135 CO 0.05 0.91 -0.26 0.28 -1.64 0.00 0.00 178.16 177.50 1a0f h VAL 136 N 0.62 1.27 -0.73 1.81 2.07 -0.98 -1.28 116.25 119.03 1a0f h VAL 136 Ca 0.08 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.20 1a0f h VAL 136 Cb 0.76 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1a0f h VAL 136 CO 0.06 0.49 0.46 -1.13 0.02 0.00 0.00 177.57 177.48 1a0f h ASN 137 N 0.84 0.77 0.30 0.57 -1.24 -0.60 -2.38 115.58 113.84 1a0f h ASN 137 Ca 0.10 -0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.94 1a0f h ASN 137 Cb 0.85 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 1a0f h ASN 137 CO 0.07 0.53 -0.68 -0.33 -1.29 0.00 0.00 177.43 175.74 1a0f h GLU 138 N 0.91 0.34 0.00 6.67 4.39 -1.30 -2.87 114.58 122.72 1a0f h GLU 138 Ca 0.29 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1a0f h GLU 138 Cb 0.00 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1a0f h GLU 138 CO -0.10 0.89 -0.02 0.00 -1.16 0.00 0.00 179.01 178.62 1a0f h ALA 139 N 1.04 1.08 -0.63 3.43 0.00 -0.84 -2.51 119.26 120.83 1a0f h ALA 139 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a0f h ALA 139 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a0f h ALA 139 CO 0.11 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1a0f n LEU 140 N -3.22 4.80 0.21 0.00 4.77 -0.93 -4.71 117.00 117.91 1a0f n LEU 140 Ca -0.02 -2.50 0.06 0.00 -0.03 0.00 0.00 56.01 53.52 1a0f n LEU 140 Cb 0.17 -0.58 0.46 0.00 -2.33 0.00 0.00 43.42 41.13 1a0f n LEU 140 CO 0.24 0.80 0.79 0.07 -1.33 0.00 0.00 177.39 177.96 1a0f h LYS 141 N 3.97 0.00 -0.03 3.23 2.10 -1.45 -2.21 116.57 122.18 1a0f h LYS 141 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1a0f h LYS 141 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 1a0f h LYS 141 CO 0.25 0.29 0.00 -0.25 -2.00 0.00 0.00 179.45 177.74 1a0f n ASP 142 N -3.92 0.03 -3.76 7.07 8.00 -1.26 -4.91 116.55 117.79 1a0f n ASP 142 Ca -0.02 -1.85 -0.34 0.00 0.71 0.00 0.00 54.79 53.29 1a0f n ASP 142 Cb 0.37 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.49 1a0f n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a0f n GLU 143 N -0.48 -1.08 0.00 -1.24 -0.58 -0.83 -5.00 120.64 111.44 1a0f n GLU 143 Ca 0.00 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1a0f n GLU 143 Cb 0.01 -3.82 0.00 0.00 -0.57 0.00 0.00 31.44 27.06 1a0f n GLU 143 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1a0f n HIS 144 N -4.36 0.00 -4.16 -0.32 8.25 -1.26 -5.09 115.22 108.28 1a0f n HIS 144 Ca -0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 1a0f n HIS 144 Cb 0.59 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.64 1a0f n HIS 144 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1a0f s TRP 145 N 3.59 2.85 0.43 4.41 0.52 0.13 -4.89 118.94 125.99 1a0f s TRP 145 Ca 0.00 -0.23 0.25 0.00 0.02 0.00 0.00 56.10 56.15 1a0f s TRP 145 Cb 0.00 -1.40 1.28 0.00 -1.15 0.00 0.00 33.47 32.20 1a0f s TRP 145 CO 0.00 0.49 1.72 0.97 0.02 0.00 0.00 176.95 180.16 1a0f h ILE 146 N 1.64 0.37 -0.54 2.03 6.09 -1.93 -0.03 117.51 125.13 1a0f h ILE 146 Ca -0.45 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1a0f h ILE 146 Cb 1.25 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.65 1a0f h ILE 146 CO 0.61 0.04 0.00 0.00 -3.07 0.00 0.00 178.15 175.73 1a0f n GLY 148 N 0.67 0.54 0.25 0.00 0.00 -0.03 -4.75 105.19 101.89 1a0f n GLY 148 Ca 0.24 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1a0f n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a0f h GLN 149 N 0.00 0.84 -6.02 1.61 1.08 -1.98 0.41 115.11 111.05 1a0f h GLN 149 Ca 0.00 -0.27 -0.66 0.00 -1.45 0.00 0.00 58.65 56.27 1a0f h GLN 149 Cb 0.00 -0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 27.24 1a0f h GLN 149 CO 0.00 0.89 -0.59 0.50 -0.95 0.00 0.00 178.83 178.68 1a0f s ARG 150 N -5.01 3.01 0.20 1.46 3.52 -1.26 -4.77 118.95 116.10 1a0f s ARG 150 Ca -0.12 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.68 1a0f s ARG 150 Cb 0.11 -2.82 -0.09 0.00 -1.56 0.00 0.00 34.95 30.59 1a0f s ARG 150 CO 0.82 0.65 1.33 0.12 -0.81 0.00 0.00 175.30 177.41 1a0f s PHE 151 N -1.14 3.22 0.37 5.12 5.36 -1.26 -4.64 117.98 125.01 1a0f s PHE 151 Ca 0.21 1.18 0.06 0.00 -0.96 0.00 0.00 56.93 57.43 1a0f s PHE 151 Cb -0.12 -3.64 -0.03 0.00 -0.34 0.00 0.00 43.02 38.90 1a0f s PHE 151 CO 0.12 -2.01 0.23 0.95 -1.46 0.00 0.00 175.22 173.05 1a0f s THR 152 N 0.13 0.19 0.43 0.12 -4.23 -1.26 -4.62 115.64 106.39 1a0f s THR 152 Ca 0.57 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.43 1a0f s THR 152 Cb -0.37 -2.42 0.38 0.00 1.34 0.00 0.00 72.50 71.43 1a0f s THR 152 CO 0.39 0.00 2.17 0.16 -0.54 0.00 0.00 174.62 176.79 1a0f h ILE 153 N 1.97 0.23 -0.40 2.99 3.07 -1.83 -2.57 117.51 120.96 1a0f h ILE 153 Ca -0.28 -0.32 -0.09 0.00 1.55 0.00 0.00 64.86 65.73 1a0f h ILE 153 Cb 1.25 1.25 -0.02 0.00 -0.27 0.00 0.00 36.82 39.03 1a0f h ILE 153 CO 0.42 0.04 -0.11 0.00 -1.05 0.00 0.00 178.15 177.46 1a0f h ALA 154 N 1.96 1.06 -0.47 0.16 0.00 -1.87 -2.84 119.26 117.27 1a0f h ALA 154 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1a0f h ALA 154 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1a0f h ALA 154 CO 0.01 0.57 0.18 -0.44 0.00 0.00 0.00 179.25 179.57 1a0f h ASP 155 N 0.64 0.65 -0.90 0.00 3.32 -1.87 0.15 116.42 118.41 1a0f h ASP 155 Ca 0.11 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1a0f h ASP 155 Cb 0.56 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1a0f h ASP 155 CO 0.03 0.65 0.60 0.00 -1.72 0.00 0.00 179.24 178.80 1a0f h ALA 156 N 1.02 1.15 0.01 3.45 0.00 -1.57 -0.90 119.26 122.43 1a0f h ALA 156 Ca 0.15 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 1a0f h ALA 156 Cb 0.21 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a0f h ALA 156 CO -0.01 0.53 -1.03 -0.92 0.00 0.00 0.00 179.25 177.82 1a0f h TYR 157 N 1.21 0.87 -0.52 0.00 3.20 -1.32 -2.73 116.97 117.68 1a0f h TYR 157 Ca 0.34 -0.48 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 1a0f h TYR 157 Cb -0.12 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1a0f h TYR 157 CO -0.01 1.32 0.21 1.25 -1.64 0.00 0.00 178.16 179.28 1a0f h LEU 158 N 0.32 0.72 -0.39 2.82 6.46 -0.58 -2.73 115.31 121.93 1a0f h LEU 158 Ca -0.12 -0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1a0f h LEU 158 Cb 1.68 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.40 1a0f h LEU 158 CO 0.19 0.70 0.26 0.15 -0.62 0.00 0.00 178.44 179.12 1a0f h PHE 159 N 0.71 0.49 -0.24 1.25 3.57 -1.20 -1.23 116.94 120.29 1a0f h PHE 159 Ca 0.17 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1a0f h PHE 159 Cb 0.20 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1a0f h PHE 159 CO 0.01 0.30 -0.09 1.15 -2.23 0.00 0.00 178.31 177.45 1a0f h THR 160 N 0.52 0.69 -0.12 4.41 2.02 -1.37 -2.02 112.91 117.04 1a0f h THR 160 Ca 0.15 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.17 1a0f h THR 160 Cb -0.05 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1a0f h THR 160 CO -0.04 0.00 -0.59 0.58 0.37 0.00 0.00 175.52 175.84 1a0f h VAL 161 N -0.05 1.35 0.00 3.16 2.07 -1.41 -3.13 116.25 118.24 1a0f h VAL 161 Ca 0.12 -1.90 -0.06 0.00 0.82 0.00 0.00 66.70 65.68 1a0f h VAL 161 Cb 0.23 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1a0f h VAL 161 CO -0.27 0.58 -0.29 -0.07 0.02 0.00 0.00 177.57 177.54 1a0f h LEU 162 N 0.30 0.00 -1.47 2.57 4.07 -0.99 -1.67 115.31 118.12 1a0f h LEU 162 Ca -0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.00 1a0f h LEU 162 Cb 1.12 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.82 1a0f h LEU 162 CO 0.10 0.29 0.41 0.03 -1.08 0.00 0.00 178.44 178.19 1a0f h ARG 163 N 0.00 0.66 -0.01 1.13 3.08 -1.31 -1.89 114.38 116.04 1a0f h ARG 163 Ca -0.00 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1a0f h ARG 163 Cb 0.57 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1a0f h ARG 163 CO 0.04 0.43 -0.61 -1.49 -1.07 0.00 0.00 179.97 177.27 1a0f h TRP 164 N 0.67 0.05 -0.61 3.04 6.55 -1.42 -1.89 115.95 122.35 1a0f h TRP 164 Ca 0.26 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 60.07 1a0f h TRP 164 Cb 0.18 -0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.44 1a0f h TRP 164 CO -0.00 0.63 0.31 0.00 -1.05 0.00 0.00 178.44 178.34 1a0f h ALA 165 N 1.36 1.41 0.05 1.49 0.00 -1.33 -0.02 119.26 122.22 1a0f h ALA 165 Ca -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1a0f h ALA 165 Cb 1.08 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1a0f h ALA 165 CO 0.08 0.47 -0.73 1.88 0.00 0.00 0.00 179.25 180.95 1a0f h TYR 166 N 0.85 0.65 -0.51 0.00 0.05 -1.38 -0.40 116.97 116.22 1a0f h TYR 166 Ca 0.21 -0.39 0.07 0.00 0.05 0.00 0.00 58.73 58.68 1a0f h TYR 166 Cb 0.05 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 37.67 1a0f h TYR 166 CO 0.01 1.23 0.17 0.00 -1.05 0.00 0.00 178.16 178.51 1a0f h ALA 167 N 0.26 0.62 0.00 3.88 0.00 -1.06 -0.86 119.26 122.09 1a0f h ALA 167 Ca -0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a0f h ALA 167 Cb 1.47 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1a0f h ALA 167 CO 0.14 -0.23 0.00 0.28 0.00 0.00 0.00 179.25 179.44 1a0f n VAL 168 N -5.03 0.65 -3.05 0.00 0.31 -0.05 -4.92 118.33 106.24 1a0f n VAL 168 Ca 0.06 -0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.26 1a0f n VAL 168 Cb 0.22 -0.84 0.04 0.00 -0.91 0.00 0.00 33.84 32.36 1a0f n VAL 168 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a0f n LYS 169 N -2.08 -4.22 -1.00 5.55 4.01 -0.33 -5.01 118.16 115.08 1a0f n LYS 169 Ca 0.04 0.45 -0.30 0.00 -0.51 0.00 0.00 58.31 57.99 1a0f n LYS 169 Cb 0.32 -4.32 0.15 0.00 -0.51 0.00 0.00 35.03 30.66 1a0f n LYS 169 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1a0f s LEU 170 N -4.39 2.41 -0.56 -0.35 1.43 -0.22 -4.90 118.68 112.09 1a0f s LEU 170 Ca 0.28 1.76 -0.27 0.00 -1.03 0.00 0.00 54.13 54.86 1a0f s LEU 170 Cb -0.12 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 41.97 1a0f s LEU 170 CO 0.39 -2.82 1.11 0.21 0.23 0.00 0.00 176.35 175.47 1a0f s ASN 171 N -3.10 6.43 -0.18 2.29 2.47 -1.26 -4.83 114.94 116.75 1a0f s ASN 171 Ca 0.64 0.01 0.16 0.00 0.42 0.00 0.00 52.86 54.09 1a0f s ASN 171 Cb -0.20 -2.52 0.52 0.00 -1.45 0.00 0.00 41.25 37.60 1a0f s ASN 171 CO 0.58 -1.38 1.41 0.18 -3.72 0.00 0.00 177.10 174.17 1a0f n LEU 172 N 8.08 3.82 -4.70 3.21 4.77 -1.26 -4.97 117.00 125.95 1a0f n LEU 172 Ca 0.07 -3.07 -0.41 0.00 -0.03 0.00 0.00 56.01 52.56 1a0f n LEU 172 Cb 0.49 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1a0f n LEU 172 CO 0.69 0.71 0.60 -1.61 -1.33 0.00 0.00 177.39 176.45 1a0f s GLU 173 N -2.87 4.47 0.00 3.23 0.41 -1.26 -3.18 118.70 119.51 1a0f s GLU 173 Ca 0.42 1.20 0.00 0.00 -0.41 0.00 0.00 54.97 56.18 1a0f s GLU 173 Cb 0.34 -3.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 1a0f s GLU 173 CO 0.08 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.18 1a0f n GLY 174 N 3.05 0.45 3.23 -1.39 0.00 -1.26 -4.98 105.19 104.29 1a0f n GLY 174 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1a0f n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a0f n LEU 175 N 0.00 5.80 0.17 0.99 4.32 -1.19 -4.83 117.00 122.26 1a0f n LEU 175 Ca 0.00 -4.75 0.03 0.00 -0.02 0.00 0.00 56.01 51.27 1a0f n LEU 175 Cb 0.00 -1.50 0.30 0.00 -1.62 0.00 0.00 43.42 40.59 1a0f n LEU 175 CO 0.00 1.17 0.63 -0.33 -1.22 0.00 0.00 177.39 177.64 1a0f h GLU 176 N 6.45 0.00 -0.01 3.23 4.39 -1.94 -2.98 114.58 123.71 1a0f h GLU 176 Ca 0.29 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.82 1a0f h GLU 176 Cb 0.78 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1a0f h GLU 176 CO 1.29 0.45 -0.74 0.45 -1.16 0.00 0.00 179.01 179.30 1a0f h HIS 177 N 0.00 0.14 -0.44 4.33 3.86 -1.88 -2.04 115.15 119.12 1a0f h HIS 177 Ca -0.00 -0.07 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 1a0f h HIS 177 Cb 0.90 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1a0f h HIS 177 CO 0.00 0.81 -0.22 0.82 0.86 0.00 0.00 177.93 180.19 1a0f h ILE 178 N 0.06 1.27 -0.60 2.45 2.04 -1.82 -1.98 117.51 118.93 1a0f h ILE 178 Ca -0.02 -1.38 -0.09 0.00 1.00 0.00 0.00 64.86 64.38 1a0f h ILE 178 Cb 1.31 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1a0f h ILE 178 CO 0.11 0.47 0.04 0.00 0.00 0.00 0.00 178.15 178.76 1a0f h ALA 179 N 0.84 0.81 -0.52 1.87 0.00 -1.43 -1.79 119.26 119.04 1a0f h ALA 179 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1a0f h ALA 179 Cb 0.80 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1a0f h ALA 179 CO 0.07 0.62 0.12 0.00 0.00 0.00 0.00 179.25 180.06 1a0f h ALA 180 N 1.00 0.68 -0.26 0.00 0.00 -1.29 -2.65 119.26 116.74 1a0f h ALA 180 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1a0f h ALA 180 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1a0f h ALA 180 CO 0.02 0.38 0.13 0.35 0.00 0.00 0.00 179.25 180.13 1a0f h PHE 181 N 0.72 0.24 -0.86 0.00 3.57 -1.19 -0.49 116.94 118.93 1a0f h PHE 181 Ca 0.16 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1a0f h PHE 181 Cb 0.34 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1a0f h PHE 181 CO 0.02 0.14 0.56 0.52 -2.23 0.00 0.00 178.31 177.32 1a0f h MET 182 N 0.27 1.01 -0.38 1.11 2.86 -1.26 0.70 114.93 119.24 1a0f h MET 182 Ca 0.11 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.52 1a0f h MET 182 Cb 0.03 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1a0f h MET 182 CO -0.07 0.67 -0.39 0.37 1.06 0.00 0.00 176.91 178.54 1a0f h GLN 183 N 1.04 0.94 -0.66 1.72 5.75 -1.25 -1.17 115.11 121.49 1a0f h GLN 183 Ca 0.35 -0.50 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1a0f h GLN 183 Cb 0.09 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1a0f h GLN 183 CO -0.11 1.16 0.13 -0.09 -2.65 0.00 0.00 178.83 177.26 1a0f h ARG 184 N 0.76 1.06 -0.30 1.69 9.65 -0.39 -2.62 114.38 124.24 1a0f h ARG 184 Ca 0.06 -0.26 -0.15 0.00 -1.10 0.00 0.00 59.98 58.52 1a0f h ARG 184 Cb 0.99 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 1a0f h ARG 184 CO 0.10 0.96 -0.43 0.52 2.80 0.00 0.00 179.97 183.91 1a0f h MET 185 N 1.00 0.75 0.00 0.20 2.86 -0.78 -3.13 114.93 115.83 1a0f h MET 185 Ca 0.20 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1a0f h MET 185 Cb 0.40 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1a0f h MET 185 CO 0.01 1.03 -0.19 0.00 1.06 0.00 0.00 176.91 178.82 1a0f h ALA 186 N 0.91 1.58 -0.11 6.32 0.00 -0.97 -2.73 119.26 124.26 1a0f h ALA 186 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a0f h ALA 186 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1a0f h ALA 186 CO 0.09 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.97 1a0f n GLU 187 N -4.16 1.56 -2.91 0.00 1.02 -1.01 -4.58 120.64 110.57 1a0f n GLU 187 Ca -0.02 -0.84 -0.42 0.00 -0.02 0.00 0.00 57.16 55.86 1a0f n GLU 187 Cb 0.26 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1a0f n GLU 187 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1a0f s ARG 188 N -1.86 4.18 0.49 3.49 0.52 -1.03 -4.96 118.95 119.77 1a0f s ARG 188 Ca 0.33 0.92 0.16 0.00 -0.52 0.00 0.00 55.73 56.62 1a0f s ARG 188 Cb 0.17 -3.64 1.19 0.00 0.52 0.00 0.00 34.95 33.18 1a0f s ARG 188 CO 0.27 -0.51 2.06 -1.00 0.02 0.00 0.00 175.30 176.14 1a0f h PRO 189 N 7.68 0.17 -0.08 3.54 0.13 -1.89 -1.53 132.00 140.02 1a0f h PRO 189 Ca -0.23 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 1a0f h PRO 189 Cb 1.10 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1a0f h PRO 189 CO 0.87 0.11 -0.53 0.93 -0.23 0.00 0.00 178.00 179.15 1a0f h GLU 190 N 0.18 0.23 0.00 0.86 4.39 -1.95 -0.93 114.58 117.36 1a0f h GLU 190 Ca 0.15 -0.14 -0.20 0.00 0.34 0.00 0.00 59.36 59.51 1a0f h GLU 190 Cb 0.36 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1a0f h GLU 190 CO -0.02 0.70 -0.89 -0.39 -1.16 0.00 0.00 179.01 177.25 1a0f h VAL 191 N 0.18 1.47 -0.43 3.13 -1.51 -1.60 -2.37 116.25 115.11 1a0f h VAL 191 Ca 0.00 -2.57 0.00 0.00 -1.23 0.00 0.00 66.70 62.91 1a0f h VAL 191 Cb 0.99 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 32.58 1a0f h VAL 191 CO 0.08 0.75 0.27 1.56 -1.23 0.00 0.00 177.57 179.01 1a0f h GLN 192 N 0.14 0.58 -0.75 5.19 1.08 -1.11 -1.08 115.11 119.15 1a0f h GLN 192 Ca -0.05 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1a0f h GLN 192 Cb 1.52 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 1a0f h GLN 192 CO 0.14 0.41 0.37 -0.44 -0.95 0.00 0.00 178.83 178.36 1a0f h ASP 193 N 0.58 0.96 -0.24 1.46 3.32 -1.12 -1.78 116.42 119.60 1a0f h ASP 193 Ca 0.16 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1a0f h ASP 193 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1a0f h ASP 193 CO -0.03 0.80 -0.01 0.00 -1.72 0.00 0.00 179.24 178.28 1a0f h ALA 194 N 1.35 0.32 -0.82 3.45 0.00 -1.06 0.87 119.26 123.37 1a0f h ALA 194 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a0f h ALA 194 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1a0f h ALA 194 CO -0.04 0.06 0.52 -0.07 0.00 0.00 0.00 179.25 179.72 1a0f h LEU 195 N 0.19 0.96 -0.03 0.00 3.38 -1.08 -1.69 115.31 117.04 1a0f h LEU 195 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a0f h LEU 195 Cb 0.43 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1a0f h LEU 195 CO 0.01 0.73 0.01 -1.28 0.09 0.00 0.00 178.44 178.00 1a0f h SER 196 N 1.12 0.04 0.15 -0.43 0.87 -1.19 0.39 113.55 114.50 1a0f h SER 196 Ca 0.30 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1a0f h SER 196 Cb -0.08 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1a0f h SER 196 CO -0.06 0.17 -0.17 0.00 -0.53 0.00 0.00 176.83 176.24 1a0f h ALA 197 N 0.88 1.67 -0.00 6.23 0.00 -0.54 -0.67 119.26 126.82 1a0f h ALA 197 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a0f h ALA 197 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a0f h ALA 197 CO -0.00 0.25 -0.11 0.39 0.00 0.00 0.00 179.25 179.78 1a0f n GLU 198 N -4.32 0.35 -2.01 0.00 1.02 -0.66 -4.90 120.64 110.12 1a0f n GLU 198 Ca -0.02 -0.08 -0.04 0.00 -0.02 0.00 0.00 57.16 57.00 1a0f n GLU 198 Cb 0.25 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1a0f n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a0f n GLY 199 N 1.37 0.24 3.91 0.62 0.00 -0.26 -4.77 105.19 106.31 1a0f n GLY 199 Ca 0.11 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 1a0f n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a0f s LEU 200 N -1.08 3.41 0.00 0.99 1.43 0.13 -5.01 118.68 118.55 1a0f s LEU 200 Ca 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1a0f s LEU 200 Cb 0.00 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1a0f s LEU 200 CO 0.00 -0.72 0.46 0.29 0.23 0.00 0.00 176.35 176.62