#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n THR 26 N 0.00 0.62 -2.18 3.15 -1.04 -1.26 -4.82 114.28 108.75 3f1f n THR 26 Ca 0.00 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 3f1f n THR 26 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3f1f n THR 26 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3f1f s TYR 27 N -0.31 2.87 -0.22 -1.42 5.04 -1.26 -5.02 117.35 117.02 3f1f s TYR 27 Ca 0.21 0.79 -0.09 0.00 -2.44 0.00 0.00 57.07 55.53 3f1f s TYR 27 Cb -0.30 -3.70 -0.05 0.00 0.35 0.00 0.00 41.96 38.27 3f1f s TYR 27 CO 0.18 -2.59 0.12 0.08 -1.34 0.00 0.00 175.55 172.01 3f1f s VAL 28 N 2.20 5.11 0.51 3.14 1.01 -1.26 -5.06 120.40 126.04 3f1f s VAL 28 Ca 0.65 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.52 3f1f s VAL 28 Cb -0.33 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 3f1f s VAL 28 CO 0.28 0.38 1.09 -2.16 0.00 0.00 0.00 175.10 174.69 3f1f s PRO 29 N 0.92 3.57 0.00 2.72 0.04 -1.26 -5.07 135.00 135.91 3f1f s PRO 29 Ca 0.06 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3f1f s PRO 29 Cb -0.13 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3f1f s PRO 29 CO 0.03 -0.66 0.00 1.63 0.04 0.00 0.00 177.00 178.04 3f1f n LYS 30 N -1.10 0.95 -1.79 4.56 4.76 -1.26 -4.99 118.16 119.29 3f1f n LYS 30 Ca 0.10 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.13 3f1f n LYS 30 Cb 0.51 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.67 3f1f n LYS 30 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3f1f s GLN 31 N -1.85 2.95 0.00 1.97 -1.52 -1.26 -4.96 119.66 114.98 3f1f s GLN 31 Ca 0.00 1.53 0.00 0.00 -1.95 0.00 0.00 55.36 54.94 3f1f s GLN 31 Cb 0.00 -4.35 0.00 0.00 -0.22 0.00 0.00 33.01 28.44 3f1f s GLN 31 CO 0.00 -2.32 0.00 1.33 -0.25 0.00 0.00 175.29 174.05 3f1f n VAL 32 N 7.62 0.00 -3.77 1.09 0.24 -1.26 -5.12 118.33 117.13 3f1f n VAL 32 Ca 0.27 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.45 3f1f n VAL 32 Cb 0.48 -0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.49 3f1f n VAL 32 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3f1f s GLU 33 N 0.59 0.28 0.17 7.34 2.56 -1.26 -5.13 118.70 123.24 3f1f s GLU 33 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 54.97 55.05 3f1f s GLU 33 Cb 0.00 0.07 -0.15 0.00 2.00 0.00 0.00 34.13 36.05 3f1f s GLU 33 CO 0.00 -0.08 1.38 -0.35 -0.56 0.00 0.00 175.26 175.66 3f1f n PRO 34 N 3.35 1.68 -3.64 4.30 -0.04 -1.26 -4.96 135.00 134.42 3f1f n PRO 34 Ca -0.17 0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 63.51 3f1f n PRO 34 Cb 0.57 -2.25 -0.09 0.00 -0.04 0.00 0.00 33.50 31.68 3f1f n PRO 34 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3f1f s ARG 35 N 0.13 2.45 0.38 0.54 3.52 -1.26 -4.97 118.95 119.73 3f1f s ARG 35 Ca 0.75 -2.03 -0.27 0.00 -0.13 0.00 0.00 55.73 54.05 3f1f s ARG 35 Cb -0.77 -3.82 -0.10 0.00 -1.56 0.00 0.00 34.95 28.71 3f1f s ARG 35 CO 0.47 -1.16 1.35 -1.58 -0.81 0.00 0.00 175.30 173.56 3f1f s TRP 36 N 0.84 2.82 0.51 5.12 0.52 -1.26 -2.53 118.94 124.96 3f1f s TRP 36 Ca 0.10 1.35 0.02 0.00 0.02 0.00 0.00 56.10 57.60 3f1f s TRP 36 Cb -0.22 -3.76 0.02 0.00 -1.15 0.00 0.00 33.47 28.35 3f1f s TRP 36 CO -0.03 -2.25 0.16 0.28 0.02 0.00 0.00 176.95 175.13 3f1f n VAL 37 N 0.39 0.00 -3.33 4.03 0.31 0.29 -4.28 118.33 115.74 3f1f n VAL 37 Ca 0.02 -2.26 -0.11 0.00 -0.01 0.00 0.00 64.34 61.98 3f1f n VAL 37 Cb 0.42 0.27 -0.07 0.00 -0.91 0.00 0.00 33.84 33.55 3f1f n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3f1f s LEU 38 N 0.00 -0.61 0.28 7.52 1.98 -1.01 -3.44 118.68 123.40 3f1f s LEU 38 Ca 0.12 -0.58 -0.15 0.00 -2.89 0.00 0.00 54.13 50.63 3f1f s LEU 38 Cb -0.01 0.93 -0.08 0.00 0.66 0.00 0.00 46.19 47.69 3f1f s LEU 38 CO 0.08 -0.35 0.70 -0.63 -1.89 0.00 0.00 176.35 174.25 3f1f s ILE 39 N 2.40 4.70 0.00 6.68 -1.09 0.66 -1.36 121.20 133.19 3f1f s ILE 39 Ca 0.10 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 3f1f s ILE 39 Cb -0.13 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 3f1f s ILE 39 CO -0.29 -0.08 0.00 -0.67 -1.23 0.00 0.00 174.94 172.68 3f1f n ASP 40 N -0.08 0.00 0.00 3.58 4.64 -1.26 -3.05 116.55 120.38 3f1f n ASP 40 Ca 0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.43 3f1f n ASP 40 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.61 3f1f n ASP 40 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3f1f n ALA 41 N -3.00 0.00 -1.73 -1.67 0.00 -1.22 -2.32 120.51 110.58 3f1f n ALA 41 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3f1f n ALA 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3f1f n ALA 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3f1f n GLU 42 N 0.00 2.69 0.00 0.00 0.28 -1.25 -1.88 120.64 120.48 3f1f n GLU 42 Ca 0.00 0.96 0.00 0.00 -0.16 0.00 0.00 57.16 57.96 3f1f n GLU 42 Cb 0.00 -2.76 0.00 0.00 1.43 0.00 0.00 31.44 30.11 3f1f n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3f1f n GLY 43 N 2.68 2.03 3.71 -1.84 0.00 -0.65 -4.99 105.19 106.14 3f1f n GLY 43 Ca 0.11 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3f1f n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1f n LYS 44 N 0.00 2.04 -2.43 1.61 4.76 -0.79 -4.21 118.16 119.13 3f1f n LYS 44 Ca 0.00 0.72 -0.41 0.00 -2.87 0.00 0.00 58.31 55.75 3f1f n LYS 44 Cb 0.00 -2.41 -0.03 0.00 -1.84 0.00 0.00 35.03 30.75 3f1f n LYS 44 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3f1f s THR 45 N -1.17 3.85 0.00 -0.18 2.01 -1.26 -2.11 115.64 116.78 3f1f s THR 45 Ca 0.59 1.46 -0.00 0.00 0.31 0.00 0.00 61.69 64.05 3f1f s THR 45 Cb -0.51 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.06 3f1f s THR 45 CO 0.59 0.19 1.00 0.25 -0.69 0.00 0.00 174.62 175.96 3f1f h LEU 46 N 5.88 -0.02 -0.12 4.42 5.85 -1.82 0.06 115.31 129.57 3f1f h LEU 46 Ca -0.43 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3f1f h LEU 46 Cb 1.21 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3f1f h LEU 46 CO 0.77 -0.00 -0.46 1.23 -0.34 0.00 0.00 178.44 179.64 3f1f h GLY 47 N -0.00 -0.83 1.46 3.75 0.00 -1.93 -1.70 103.07 103.82 3f1f h GLY 47 Ca 0.00 0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.93 3f1f h GLY 47 CO -0.01 -0.22 0.29 3.21 0.00 0.00 0.00 176.54 179.82 3f1f h ARG 48 N -0.53 0.47 0.19 4.80 2.47 -1.93 -1.38 114.38 118.47 3f1f h ARG 48 Ca 0.06 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 3f1f h ARG 48 Cb 0.65 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3f1f h ARG 48 CO -0.40 0.31 -0.09 1.25 0.56 0.00 0.00 179.97 181.60 3f1f h LEU 49 N 0.49 -0.22 -0.59 3.04 5.85 -0.56 -3.17 115.31 120.15 3f1f h LEU 49 Ca 0.18 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.76 3f1f h LEU 49 Cb 0.11 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.08 3f1f h LEU 49 CO -0.04 0.17 -0.18 0.00 -0.34 0.00 0.00 178.44 178.05 3f1f h ALA 50 N 0.05 0.33 -0.13 1.25 0.00 -0.39 -0.53 119.26 119.84 3f1f h ALA 50 Ca -0.03 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3f1f h ALA 50 Cb 0.46 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3f1f h ALA 50 CO 0.04 -0.47 -0.13 1.15 0.00 0.00 0.00 179.25 179.85 3f1f h THR 51 N -0.03 0.00 -0.59 0.00 2.02 -1.29 0.49 112.91 113.51 3f1f h THR 51 Ca 0.28 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.58 3f1f h THR 51 Cb 0.46 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.76 3f1f h THR 51 CO -0.62 0.00 -0.20 0.11 0.37 0.00 0.00 175.52 175.17 3f1f h LYS 52 N -0.06 -0.06 -0.26 6.66 1.79 -1.40 -2.81 116.57 120.43 3f1f h LYS 52 Ca 0.02 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 3f1f h LYS 52 Cb 0.12 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.71 3f1f h LYS 52 CO -0.16 -0.04 -0.35 0.82 -1.08 0.00 0.00 179.45 178.65 3f1f h ILE 53 N -0.06 0.23 -0.97 1.86 2.04 0.67 -0.99 117.51 120.28 3f1f h ILE 53 Ca 0.27 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 3f1f h ILE 53 Cb 0.48 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 3f1f h ILE 53 CO -0.63 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.14 3f1f h ALA 54 N 0.50 1.34 0.00 1.87 0.00 -0.95 0.61 119.26 122.64 3f1f h ALA 54 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3f1f h ALA 54 Cb 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3f1f h ALA 54 CO -0.45 0.40 0.00 2.41 0.00 0.00 0.00 179.25 181.61 3f1f n THR 55 N -4.53 1.33 -0.06 0.00 -1.04 -0.40 0.04 114.28 109.62 3f1f n THR 55 Ca 0.15 0.33 -0.21 0.00 -2.04 0.00 0.00 64.05 62.28 3f1f n THR 55 Cb 0.18 -1.20 -0.13 0.00 -1.82 0.00 0.00 70.33 67.36 3f1f n THR 55 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3f1f n LEU 56 N -1.45 2.61 -0.01 -4.42 4.32 0.12 -3.44 117.00 114.74 3f1f n LEU 56 Ca 0.02 0.13 -0.09 0.00 -0.02 0.00 0.00 56.01 56.05 3f1f n LEU 56 Cb 0.08 -1.01 -0.03 0.00 -1.62 0.00 0.00 43.42 40.84 3f1f n LEU 56 CO 0.07 0.80 0.80 -0.07 -1.22 0.00 0.00 177.39 177.76 3f1f h LEU 57 N -0.15 -0.31-10.08 2.23 -0.00 0.50 0.54 115.31 108.03 3f1f h LEU 57 Ca -0.49 0.07 -0.48 0.00 -0.00 0.00 0.00 57.88 56.98 3f1f h LEU 57 Cb 1.88 0.16 0.04 0.00 -0.00 0.00 0.00 40.66 42.74 3f1f h LEU 57 CO -0.04 -0.13 0.40 -0.13 -0.00 0.00 0.00 178.44 178.53 3f1f s ARG 58 N -6.17 3.67 0.00 1.13 0.52 0.68 -2.88 118.95 115.90 3f1f s ARG 58 Ca -0.14 1.41 0.20 0.00 -0.52 0.00 0.00 55.73 56.68 3f1f s ARG 58 Cb 0.10 -2.07 1.19 0.00 0.52 0.00 0.00 34.95 34.69 3f1f s ARG 58 CO 0.68 -0.55 1.61 0.41 0.02 0.00 0.00 175.30 177.46 3f1f n GLY 59 N -0.19 -0.72 0.00 -3.53 0.00 -1.26 -4.52 105.19 94.98 3f1f n GLY 59 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3f1f n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1f n LYS 60 N -0.93 0.00 0.01 1.61 5.02 -1.22 0.14 118.16 122.79 3f1f n LYS 60 Ca 0.15 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.40 3f1f n LYS 60 Cb 0.07 -1.76 -0.14 0.00 -0.02 0.00 0.00 35.03 33.18 3f1f n LYS 60 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3f1f h HIS 61 N 0.00 0.26 -2.93 2.13 2.07 -1.79 -3.46 115.15 111.43 3f1f h HIS 61 Ca 0.00 -0.19 -0.57 0.00 -2.85 0.00 0.00 60.37 56.76 3f1f h HIS 61 Cb 0.51 -0.01 -0.04 0.00 2.57 0.00 0.00 27.41 30.44 3f1f h HIS 61 CO 0.00 1.33 0.89 0.50 -3.07 0.00 0.00 177.93 177.58 3f1f s ARG 62 N -2.60 4.24 0.44 5.12 3.52 0.38 -4.92 118.95 125.13 3f1f s ARG 62 Ca -0.11 1.63 0.18 0.00 -0.13 0.00 0.00 55.73 57.30 3f1f s ARG 62 Cb 0.07 -3.75 1.11 0.00 -1.56 0.00 0.00 34.95 30.82 3f1f s ARG 62 CO 0.82 -0.69 1.90 -1.00 -0.81 0.00 0.00 175.30 175.51 3f1f h PRO 63 N 8.12 0.35 -1.14 5.12 0.13 -1.89 -1.26 132.00 141.42 3f1f h PRO 63 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3f1f h PRO 63 Cb 1.10 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3f1f h PRO 63 CO 0.97 0.23 0.00 -0.25 -0.23 0.00 0.00 178.00 178.72 3f1f n ASP 64 N -4.47 2.03 -4.81 1.44 9.92 -1.26 -4.88 116.55 114.53 3f1f n ASP 64 Ca 0.16 -1.55 -0.33 0.00 -0.53 0.00 0.00 54.79 52.53 3f1f n ASP 64 Cb 0.61 -0.39 -0.04 0.00 -0.64 0.00 0.00 41.12 40.66 3f1f n ASP 64 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 3f1f s TRP 65 N -0.01 3.16 -0.21 1.24 -0.11 -0.48 -4.73 118.94 117.80 3f1f s TRP 65 Ca 0.00 1.57 -0.13 0.00 1.22 0.00 0.00 56.10 58.76 3f1f s TRP 65 Cb 0.00 -2.95 0.06 0.00 -1.50 0.00 0.00 33.47 29.08 3f1f s TRP 65 CO 0.00 -0.56 0.51 0.99 -4.62 0.00 0.00 176.95 173.27 3f1f s THR 66 N -2.18 -0.01 0.09 5.86 2.01 -1.26 -4.98 115.64 115.17 3f1f s THR 66 Ca 0.64 0.05 -0.35 0.00 0.31 0.00 0.00 61.69 62.34 3f1f s THR 66 Cb -0.13 -0.74 -0.16 0.00 0.01 0.00 0.00 72.50 71.48 3f1f s THR 66 CO 0.21 0.02 1.54 1.55 -0.69 0.00 0.00 174.62 177.26 3f1f h PRO 67 N 6.81 -0.86 0.00 4.92 0.13 -2.03 -3.18 132.00 137.79 3f1f h PRO 67 Ca -0.33 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3f1f h PRO 67 Cb 1.20 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3f1f h PRO 67 CO 0.24 -0.57 0.00 -2.95 -0.23 0.00 0.00 178.00 174.48 3f1f h ASN 68 N -0.89 0.00 0.00 1.44 -0.00 -2.05 -3.31 115.58 110.77 3f1f h ASN 68 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.19 3f1f h ASN 68 Cb 0.82 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.13 3f1f h ASN 68 CO -0.15 0.00 -0.63 1.62 -0.00 0.00 0.00 177.43 178.27 3f1f h VAL 69 N 0.00 0.45 -2.78 6.14 3.04 -2.00 -3.51 116.25 117.59 3f1f h VAL 69 Ca 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 3f1f h VAL 69 Cb 0.08 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 3f1f h VAL 69 CO 0.00 0.15 0.00 0.00 -1.01 0.00 0.00 177.57 176.71 3f1f n ALA 70 N -3.35 -2.78 -2.49 3.17 0.00 -1.25 -5.07 120.51 108.74 3f1f n ALA 70 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 3f1f n ALA 70 Cb 0.38 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.87 3f1f n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1f n MET 71 N 0.04 0.86 -1.58 0.00 0.00 -1.26 -5.07 117.12 110.11 3f1f n MET 71 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 57.70 55.68 3f1f n MET 71 Cb 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 33.22 33.35 3f1f n MET 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3f1f s GLY 72 N -1.76 1.61 0.66 3.17 0.00 -1.14 -4.61 107.32 105.26 3f1f s GLY 72 Ca 0.14 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.02 3f1f s GLY 72 CO -0.08 -0.07 1.13 0.99 0.00 0.00 0.00 173.10 175.07 3f1f s ASP 73 N -4.20 4.99 -0.98 1.64 1.01 0.18 -4.73 116.67 114.58 3f1f s ASP 73 Ca 0.66 2.06 -0.22 0.00 0.71 0.00 0.00 52.55 55.76 3f1f s ASP 73 Cb -0.12 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.32 3f1f s ASP 73 CO 0.53 -1.71 1.37 -0.36 0.21 0.00 0.00 175.17 175.21 3f1f s PHE 74 N -2.26 2.65 0.22 4.23 0.40 -1.05 -4.38 117.98 117.79 3f1f s PHE 74 Ca 0.68 -0.92 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 3f1f s PHE 74 Cb -0.22 -4.60 -0.08 0.00 0.51 0.00 0.00 43.02 38.63 3f1f s PHE 74 CO 0.41 -1.84 1.10 0.08 0.70 0.00 0.00 175.22 175.67 3f1f s VAL 75 N 4.50 3.71 -0.10 -0.44 1.01 -1.22 -0.55 120.40 127.30 3f1f s VAL 75 Ca 0.42 1.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.96 3f1f s VAL 75 Cb -0.02 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.39 3f1f s VAL 75 CO -0.09 0.31 -0.03 -0.69 0.00 0.00 0.00 175.10 174.60 3f1f s VAL 76 N -0.61 0.71 0.02 2.92 1.01 -1.22 -1.54 120.40 121.68 3f1f s VAL 76 Ca 0.47 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3f1f s VAL 76 Cb -0.30 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3f1f s VAL 76 CO 0.37 0.27 0.04 -0.69 0.00 0.00 0.00 175.10 175.09 3f1f s VAL 77 N 1.83 4.38 0.01 2.92 1.01 -0.31 -0.25 120.40 130.00 3f1f s VAL 77 Ca 0.04 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3f1f s VAL 77 Cb -0.13 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3f1f s VAL 77 CO -0.07 0.30 -0.06 0.68 0.00 0.00 0.00 175.10 175.95 3f1f s VAL 78 N -1.19 0.43 -1.25 2.92 -7.23 -0.98 -2.13 120.40 110.96 3f1f s VAL 78 Ca 0.23 -0.48 -0.05 0.00 -1.81 0.00 0.00 61.98 59.86 3f1f s VAL 78 Cb -0.12 -0.41 0.01 0.00 0.56 0.00 0.00 36.38 36.42 3f1f s VAL 78 CO 0.14 -0.05 0.69 0.59 -0.31 0.00 0.00 175.10 176.17 3f1f n ASN 79 N 2.49 -5.52 0.31 4.85 5.03 -1.21 -3.37 115.26 117.84 3f1f n ASN 79 Ca -0.16 -0.32 0.20 0.00 0.87 0.00 0.00 54.58 55.17 3f1f n ASN 79 Cb 0.57 -4.27 1.06 0.00 -1.02 0.00 0.00 39.78 36.11 3f1f n ASN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f1f h ALA 80 N 0.85 1.26 -0.12 5.41 0.00 -1.62 -0.75 119.26 124.28 3f1f h ALA 80 Ca -0.46 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3f1f h ALA 80 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3f1f h ALA 80 CO 0.48 -0.09 0.10 0.38 0.00 0.00 0.00 179.25 180.11 3f1f h ASP 81 N 0.00 0.00 -0.57 0.00 2.03 -1.90 -1.54 116.42 114.45 3f1f h ASP 81 Ca 0.01 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.09 3f1f h ASP 81 Cb 0.17 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.53 3f1f h ASP 81 CO -0.00 0.00 0.28 0.29 -1.03 0.00 0.00 179.24 178.78 3f1f n LYS 82 N -4.28 2.53 -2.27 4.15 4.76 -0.29 -4.91 118.16 117.85 3f1f n LYS 82 Ca -0.00 -2.08 -0.42 0.00 -2.87 0.00 0.00 58.31 52.94 3f1f n LYS 82 Cb 0.21 -1.89 -0.03 0.00 -1.84 0.00 0.00 35.03 31.49 3f1f n LYS 82 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3f1f s ILE 83 N -2.23 3.51 0.36 -0.18 1.01 -0.58 -1.64 121.20 121.46 3f1f s ILE 83 Ca 0.38 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 62.14 3f1f s ILE 83 Cb 0.31 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3f1f s ILE 83 CO 0.09 0.12 0.61 -0.13 0.00 0.00 0.00 174.94 175.63 3f1f s ARG 84 N 0.66 3.55 -0.16 2.79 1.81 -0.90 -4.92 118.95 121.77 3f1f s ARG 84 Ca 0.60 -0.09 -0.12 0.00 -1.72 0.00 0.00 55.73 54.39 3f1f s ARG 84 Cb -0.34 -2.58 0.05 0.00 -0.45 0.00 0.00 34.95 31.62 3f1f s ARG 84 CO 0.32 0.08 0.40 0.54 -0.68 0.00 0.00 175.30 175.97 3f1f s VAL 85 N -2.35 -0.01 0.50 3.52 0.11 -1.26 -2.30 120.40 118.61 3f1f s VAL 85 Ca 0.43 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.30 3f1f s VAL 85 Cb -0.10 -0.58 -0.06 0.00 -1.53 0.00 0.00 36.38 34.11 3f1f s VAL 85 CO 0.36 0.01 1.20 0.42 -3.33 0.00 0.00 175.10 173.77 3f1f s THR 86 N 0.64 2.87 0.00 5.04 -4.23 -1.26 -4.82 115.64 113.89 3f1f s THR 86 Ca -0.03 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3f1f s THR 86 Cb -0.05 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.49 3f1f s THR 86 CO -0.04 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3f1f n GLY 87 N 0.47 -0.21 0.06 3.99 0.00 -1.26 -3.72 105.19 104.52 3f1f n GLY 87 Ca 0.09 -1.04 0.01 0.00 0.00 0.00 0.00 46.02 45.08 3f1f n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1f n LYS 88 N 0.00 1.07 -0.35 1.61 5.02 -1.26 -4.33 118.16 119.92 3f1f n LYS 88 Ca 0.00 -0.11 0.29 0.00 -2.02 0.00 0.00 58.31 56.47 3f1f n LYS 88 Cb 0.00 -1.04 0.55 0.00 -0.02 0.00 0.00 35.03 34.52 3f1f n LYS 88 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3f1f h LYS 89 N 0.18 0.15 -0.60 1.97 1.79 -1.88 0.60 116.57 118.77 3f1f h LYS 89 Ca 0.00 -0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.62 3f1f h LYS 89 Cb 0.04 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3f1f h LYS 89 CO 0.00 0.10 0.42 -0.07 -1.08 0.00 0.00 179.45 178.82 3f1f h LEU 90 N 0.15 0.11 0.00 2.94 4.07 -1.88 -1.53 115.31 119.17 3f1f h LEU 90 Ca 0.80 0.01 -0.42 0.00 0.08 0.00 0.00 57.88 58.34 3f1f h LEU 90 Cb 2.06 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 43.72 3f1f h LEU 90 CO -0.65 0.06 -2.44 -0.62 -1.08 0.00 0.00 178.44 173.71 3f1f n GLU 91 N -4.40 0.57 -0.04 1.13 1.02 0.19 -0.92 120.64 118.19 3f1f n GLU 91 Ca 0.11 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 3f1f n GLU 91 Cb 0.60 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 30.45 3f1f n GLU 91 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3f1f h GLN 92 N -0.66 0.07 -5.26 3.49 4.15 -0.95 -3.43 115.11 112.52 3f1f h GLN 92 Ca -0.63 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 58.65 3f1f h GLN 92 Cb 1.66 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.35 3f1f h GLN 92 CO -0.31 0.82 0.40 1.17 -1.93 0.00 0.00 178.83 178.98 3f1f n LYS 93 N -4.64 0.42 -3.59 1.69 3.00 -0.58 -4.86 118.16 109.59 3f1f n LYS 93 Ca -0.09 -0.73 -0.38 0.00 -0.00 0.00 0.00 58.31 57.11 3f1f n LYS 93 Cb 0.42 -3.17 -0.06 0.00 0.00 0.00 0.00 35.03 32.22 3f1f n LYS 93 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3f1f s ILE 94 N 12.04 5.17 0.10 3.15 -5.25 -1.26 -0.29 121.20 134.85 3f1f s ILE 94 Ca 0.99 0.67 -0.10 0.00 -0.99 0.00 0.00 60.65 61.22 3f1f s ILE 94 Cb -0.26 -3.63 -0.06 0.00 2.95 0.00 0.00 42.46 41.45 3f1f s ILE 94 CO 0.18 0.57 0.42 -0.31 -1.79 0.00 0.00 174.94 174.01 3f1f s TYR 95 N -0.90 3.57 0.38 1.37 2.02 0.27 -4.87 117.35 119.20 3f1f s TYR 95 Ca 0.21 0.81 0.07 0.00 -0.37 0.00 0.00 57.07 57.80 3f1f s TYR 95 Cb -0.15 -2.18 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 3f1f s TYR 95 CO 0.10 0.49 0.46 0.95 -1.57 0.00 0.00 175.55 175.99 3f1f s THR 96 N -1.44 3.32 -0.30 -0.71 -4.23 -1.26 0.31 115.64 111.32 3f1f s THR 96 Ca 0.35 -1.12 -0.07 0.00 -1.18 0.00 0.00 61.69 59.67 3f1f s THR 96 Cb -0.14 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.75 3f1f s THR 96 CO 0.19 -0.07 0.88 -0.60 -0.54 0.00 0.00 174.62 174.48 3f1f s ARG 97 N -4.20 0.31 -0.51 3.99 3.52 -0.75 -4.92 118.95 116.39 3f1f s ARG 97 Ca 0.49 0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 56.35 3f1f s ARG 97 Cb -0.08 0.23 0.07 0.00 -1.56 0.00 0.00 34.95 33.61 3f1f s ARG 97 CO 0.30 -0.46 0.56 -0.47 -0.81 0.00 0.00 175.30 174.42 3f1f s TYR 98 N 2.91 3.12 0.65 5.12 5.04 -1.26 -1.56 117.35 131.37 3f1f s TYR 98 Ca 0.13 -0.77 -0.17 0.00 -2.44 0.00 0.00 57.07 53.83 3f1f s TYR 98 Cb -0.09 -3.50 -0.01 0.00 0.35 0.00 0.00 41.96 38.71 3f1f s TYR 98 CO -0.19 -0.99 1.17 -1.54 -1.34 0.00 0.00 175.55 172.65 3f1f s SER 99 N 2.85 4.94 0.22 4.32 1.04 -1.04 -4.88 113.70 121.16 3f1f s SER 99 Ca 0.10 2.23 0.16 0.00 0.48 0.00 0.00 55.95 58.92 3f1f s SER 99 Cb -0.22 -2.58 0.83 0.00 0.10 0.00 0.00 66.02 64.15 3f1f s SER 99 CO 0.09 -1.75 1.48 0.61 0.98 0.00 0.00 173.24 174.65 3f1f n GLY 100 N 0.12 -0.80 3.88 7.32 0.00 -1.26 -4.56 105.19 109.89 3f1f n GLY 100 Ca 0.12 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 3f1f n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1f s TYR 101 N -3.37 2.90 0.19 1.61 1.51 -1.26 -4.97 117.35 113.96 3f1f s TYR 101 Ca -0.01 0.80 -0.30 0.00 -1.01 0.00 0.00 57.07 56.55 3f1f s TYR 101 Cb 0.05 -3.44 -0.08 0.00 -0.11 0.00 0.00 41.96 38.38 3f1f s TYR 101 CO 0.16 -1.84 1.20 -2.14 -1.11 0.00 0.00 175.55 171.82 3f1f s PRO 102 N -5.50 4.49 0.00 -1.71 0.02 -1.26 -2.40 135.00 128.64 3f1f s PRO 102 Ca 0.62 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3f1f s PRO 102 Cb -0.12 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3f1f s PRO 102 CO 0.50 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.49 3f1f n GLY 103 N 2.13 0.22 0.00 0.52 0.00 -1.26 -4.87 105.19 101.93 3f1f n GLY 103 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3f1f n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1f n GLY 104 N -0.72 -0.77 3.61 -0.02 0.00 -1.01 -4.72 105.19 101.57 3f1f n GLY 104 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3f1f n GLY 104 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f1f s LEU 105 N -2.30 3.70 -0.25 0.99 2.96 -1.26 -2.49 118.68 120.03 3f1f s LEU 105 Ca 0.24 1.64 -0.02 0.00 -0.22 0.00 0.00 54.13 55.76 3f1f s LEU 105 Cb 0.13 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.32 3f1f s LEU 105 CO 0.26 -1.55 -0.05 -0.75 -1.32 0.00 0.00 176.35 172.94 3f1f s LYS 106 N 5.36 2.86 0.19 1.98 2.20 -0.60 -4.97 119.74 126.76 3f1f s LYS 106 Ca 0.82 -0.97 0.04 0.00 -0.36 0.00 0.00 55.97 55.50 3f1f s LYS 106 Cb -0.27 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3f1f s LYS 106 CO 0.33 -0.40 0.28 -1.59 -0.36 0.00 0.00 175.35 173.60 3f1f s LYS 107 N 1.34 3.31 -0.19 4.03 -2.85 -1.26 -1.81 119.74 122.32 3f1f s LYS 107 Ca 0.00 -0.73 -0.05 0.00 -1.00 0.00 0.00 55.97 54.18 3f1f s LYS 107 Cb -0.17 -2.85 0.09 0.00 -2.06 0.00 0.00 37.83 32.84 3f1f s LYS 107 CO -0.04 0.48 0.36 0.42 0.10 0.00 0.00 175.35 176.67 3f1f s ILE 108 N -1.86 -0.56 0.51 3.79 1.01 0.15 -4.95 121.20 119.30 3f1f s ILE 108 Ca 0.34 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.93 3f1f s ILE 108 Cb -0.10 -0.62 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 3f1f s ILE 108 CO 0.28 0.04 1.16 -2.16 0.00 0.00 0.00 174.94 174.26 3f1f s PRO 109 N 2.53 3.48 0.25 2.79 0.04 -1.26 0.97 135.00 143.81 3f1f s PRO 109 Ca 0.02 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 3f1f s PRO 109 Cb -0.13 -2.18 0.51 0.00 0.04 0.00 0.00 34.50 32.75 3f1f s PRO 109 CO -0.12 -0.77 1.69 1.25 0.04 0.00 0.00 177.00 179.09 3f1f h LEU 110 N 1.54 0.06 -0.52 -3.56 6.46 -0.78 -0.73 115.31 117.79 3f1f h LEU 110 Ca -0.50 0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 3f1f h LEU 110 Cb 1.26 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 41.31 3f1f h LEU 110 CO 0.58 -0.04 -0.44 -0.33 -0.62 0.00 0.00 178.44 177.59 3f1f h GLU 111 N 0.29 -0.17 -0.91 1.25 5.08 -1.30 -1.55 114.58 117.27 3f1f h GLU 111 Ca 0.44 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.94 3f1f h GLU 111 Cb 0.78 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 3f1f h GLU 111 CO -0.52 -0.11 0.58 -0.22 -1.00 0.00 0.00 179.01 177.74 3f1f h LYS 112 N -0.17 0.80 -0.09 2.33 3.64 -1.43 0.70 116.57 122.35 3f1f h LYS 112 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3f1f h LYS 112 Cb 0.40 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3f1f h LYS 112 CO -0.58 0.53 0.05 0.52 -2.27 0.00 0.00 179.45 177.70 3f1f h MET 113 N 0.82 0.13 -0.40 1.90 2.86 -1.09 -0.82 114.93 118.33 3f1f h MET 113 Ca 0.44 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.97 3f1f h MET 113 Cb 0.55 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3f1f h MET 113 CO -0.20 0.18 -0.13 -0.07 1.06 0.00 0.00 176.91 177.75 3f1f h LEU 114 N 0.04 0.71 0.00 1.22 3.38 -0.37 -3.01 115.31 117.27 3f1f h LEU 114 Ca 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3f1f h LEU 114 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3f1f h LEU 114 CO -0.00 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.38 3f1f n ALA 115 N -2.49 -0.21 -1.00 1.53 0.00 0.10 -4.36 120.51 114.08 3f1f n ALA 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3f1f n ALA 115 Cb 0.37 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3f1f n ALA 115 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3f1f n THR 116 N -1.80 0.00 -1.42 0.00 5.66 -0.32 -4.75 114.28 111.64 3f1f n THR 116 Ca 0.00 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.51 3f1f n THR 116 Cb 0.00 -0.71 -0.10 0.00 -1.55 0.00 0.00 70.33 67.97 3f1f n THR 116 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f1f n HIS 117 N -0.46 1.18 -0.06 1.09 -0.00 -1.21 -4.82 115.22 110.94 3f1f n HIS 117 Ca 0.00 0.42 -0.17 0.00 -0.00 0.00 0.00 57.72 57.97 3f1f n HIS 117 Cb 0.00 -2.44 -0.13 0.00 -0.00 0.00 0.00 29.99 27.43 3f1f n HIS 117 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3f1f h PRO 118 N 12.17 0.05 -1.85 -1.40 0.11 -1.74 -3.28 132.00 136.07 3f1f h PRO 118 Ca -0.16 -0.09 0.54 0.00 0.11 0.00 0.00 66.00 66.39 3f1f h PRO 118 Cb 1.34 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.41 3f1f h PRO 118 CO 1.15 1.04 1.34 1.05 -0.21 0.00 0.00 178.00 182.38 3f1f h GLU 119 N -0.87 0.00 -0.79 1.05 9.09 -1.87 0.56 114.58 121.75 3f1f h GLU 119 Ca -0.14 0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.46 3f1f h GLU 119 Cb 1.22 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.20 3f1f h GLU 119 CO -0.04 0.00 0.13 -0.09 0.05 0.00 0.00 179.01 179.06 3f1f h ARG 120 N 0.00 0.18 0.08 1.06 9.65 -1.91 0.32 114.38 123.76 3f1f h ARG 120 Ca 0.88 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.77 3f1f h ARG 120 Cb 3.55 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 32.06 3f1f h ARG 120 CO -0.01 0.12 -0.20 -0.39 2.80 0.00 0.00 179.97 182.29 3f1f h VAL 121 N 0.18 0.54 -0.52 0.20 -1.51 -0.10 -2.50 116.25 112.54 3f1f h VAL 121 Ca 0.46 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.84 3f1f h VAL 121 Cb 0.84 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 3f1f h VAL 121 CO -0.62 0.00 -0.01 0.25 -1.23 0.00 0.00 177.57 175.96 3f1f h LEU 122 N -0.37 0.87 0.31 4.19 7.12 -1.31 -2.39 115.31 123.74 3f1f h LEU 122 Ca 0.04 -0.23 -0.00 0.00 0.13 0.00 0.00 57.88 57.81 3f1f h LEU 122 Cb 0.40 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 3f1f h LEU 122 CO -0.13 0.94 -0.50 -0.33 -0.13 0.00 0.00 178.44 178.28 3f1f h GLU 123 N 0.83 -0.83 -0.55 1.25 5.08 -0.17 -2.40 114.58 117.79 3f1f h GLU 123 Ca 0.15 0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3f1f h GLU 123 Cb 0.51 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3f1f h GLU 123 CO 0.03 -0.55 -0.04 0.45 -1.00 0.00 0.00 179.01 177.90 3f1f h HIS 124 N -0.86 1.10 -0.85 4.33 3.86 -1.41 0.22 115.15 121.54 3f1f h HIS 124 Ca -0.04 -0.20 0.20 0.00 -1.16 0.00 0.00 60.37 59.17 3f1f h HIS 124 Cb 0.79 -0.28 -0.12 0.00 1.06 0.00 0.00 27.41 28.86 3f1f h HIS 124 CO -0.34 1.00 0.32 0.00 0.86 0.00 0.00 177.93 179.77 3f1f h ALA 125 N 0.95 1.28 -0.02 2.45 0.00 -1.37 0.33 119.26 122.89 3f1f h ALA 125 Ca 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3f1f h ALA 125 Cb 0.59 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3f1f h ALA 125 CO 0.04 -0.34 -0.04 0.28 0.00 0.00 0.00 179.25 179.18 3f1f h VAL 126 N 0.35 1.46 -0.69 0.00 2.07 -0.88 -3.29 116.25 115.27 3f1f h VAL 126 Ca 0.52 -1.41 0.15 0.00 0.82 0.00 0.00 66.70 66.77 3f1f h VAL 126 Cb 0.96 2.37 -0.11 0.00 -1.52 0.00 0.00 31.29 32.98 3f1f h VAL 126 CO -0.53 0.37 0.08 0.50 0.02 0.00 0.00 177.57 178.01 3f1f h LYS 127 N -0.51 0.18 0.00 1.57 3.64 0.72 0.47 116.57 122.64 3f1f h LYS 127 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3f1f h LYS 127 Cb 0.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3f1f h LYS 127 CO 0.01 0.12 0.00 0.41 -2.27 0.00 0.00 179.45 177.72 3f1f n GLY 128 N -1.37 -0.55 0.27 5.01 0.00 0.10 -1.56 105.19 107.09 3f1f n GLY 128 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3f1f n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3f1f n MET 129 N -1.32 1.74 -3.64 1.61 2.81 0.16 -4.99 117.12 113.49 3f1f n MET 129 Ca 0.03 -1.41 -0.34 0.00 -1.81 0.00 0.00 57.70 54.17 3f1f n MET 129 Cb 0.06 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.40 3f1f n MET 129 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3f1f s LEU 130 N -0.79 4.34 0.62 4.03 1.43 -0.60 -4.99 118.68 122.72 3f1f s LEU 130 Ca 0.09 0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 53.71 3f1f s LEU 130 Cb 0.05 -2.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 3f1f s LEU 130 CO 0.07 0.18 0.65 -0.81 0.23 0.00 0.00 176.35 176.67 3f1f n PRO 131 N 0.86 0.55 0.00 1.29 -0.04 -1.26 -4.90 135.00 131.50 3f1f n PRO 131 Ca -0.08 0.22 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 3f1f n PRO 131 Cb 0.52 -1.87 0.67 0.00 -0.04 0.00 0.00 33.50 32.79 3f1f n PRO 131 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3f1f n LYS 132 N -0.53 0.95 -1.50 0.54 0.00 -1.26 -4.27 118.16 112.10 3f1f n LYS 132 Ca 0.12 -0.33 -0.25 0.00 -0.00 0.00 0.00 58.31 57.85 3f1f n LYS 132 Cb 0.48 -1.49 0.18 0.00 -0.00 0.00 0.00 35.03 34.20 3f1f n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3f1f n GLY 133 N 1.19 -1.68 0.18 2.58 0.00 -1.26 -4.88 105.19 101.32 3f1f n GLY 133 Ca 0.18 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 3f1f n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f1f h PRO 134 N 0.00 0.37 0.00 1.61 0.11 -2.00 -0.78 132.00 131.30 3f1f h PRO 134 Ca -0.37 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3f1f h PRO 134 Cb 1.03 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3f1f h PRO 134 CO 0.25 0.24 -0.07 1.37 -0.21 0.00 0.00 178.00 179.58 3f1f h LEU 135 N 0.38 0.00 -1.34 2.35 -0.00 -1.93 0.13 115.31 114.90 3f1f h LEU 135 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 3f1f h LEU 135 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 3f1f h LEU 135 CO -0.17 0.07 0.24 1.23 -0.00 0.00 0.00 178.44 179.81 3f1f h GLY 136 N 1.77 0.74 0.80 0.17 0.00 -1.33 0.98 103.07 106.19 3f1f h GLY 136 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3f1f h GLY 136 CO 0.01 0.32 -0.38 3.21 0.00 0.00 0.00 176.54 179.70 3f1f h ARG 137 N 0.69 0.45 -0.98 4.80 3.08 -0.48 -2.74 114.38 119.22 3f1f h ARG 137 Ca 0.17 -0.34 0.11 0.00 0.07 0.00 0.00 59.98 60.00 3f1f h ARG 137 Cb 0.08 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 3f1f h ARG 137 CO -0.02 0.96 0.62 0.00 -1.07 0.00 0.00 179.97 180.46 3f1f h ARG 138 N 0.03 0.94 -0.14 0.04 2.47 -0.19 -0.33 114.38 117.20 3f1f h ARG 138 Ca -0.02 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 3f1f h ARG 138 Cb 1.01 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 3f1f h ARG 138 CO 0.08 0.62 -0.26 -0.07 0.56 0.00 0.00 179.97 180.90 3f1f h LEU 139 N 0.97 0.25 -0.80 3.04 3.38 0.10 -3.05 115.31 119.20 3f1f h LEU 139 Ca 0.47 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 3f1f h LEU 139 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3f1f h LEU 139 CO -0.24 0.52 0.01 0.15 0.09 0.00 0.00 178.44 178.97 3f1f h PHE 140 N 0.23 0.98 -0.47 1.13 3.57 -0.74 -2.01 116.94 119.62 3f1f h PHE 140 Ca 0.04 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.43 3f1f h PHE 140 Cb 0.59 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3f1f h PHE 140 CO 0.01 0.88 0.32 0.87 -2.23 0.00 0.00 178.31 178.16 3f1f h LYS 141 N 0.85 0.48 -0.11 1.11 1.57 -1.41 -1.25 116.57 117.81 3f1f h LYS 141 Ca 0.16 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3f1f h LYS 141 Cb 0.49 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3f1f h LYS 141 CO 0.02 0.32 0.16 0.00 -0.57 0.00 0.00 179.45 179.38 3f1f h ARG 142 N 0.49 0.00 -5.69 3.15 2.47 -1.42 -3.40 114.38 109.99 3f1f h ARG 142 Ca 0.20 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.32 3f1f h ARG 142 Cb 0.16 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.39 3f1f h ARG 142 CO -0.05 0.00 0.14 -1.17 0.56 0.00 0.00 179.97 179.45 3f1f s LEU 143 N -7.15 4.15 -0.30 3.04 0.20 -0.47 -3.45 118.68 114.70 3f1f s LEU 143 Ca -0.05 0.86 -0.04 0.00 0.69 0.00 0.00 54.13 55.60 3f1f s LEU 143 Cb 0.14 -2.92 0.03 0.00 -0.43 0.00 0.00 46.19 43.01 3f1f s LEU 143 CO 0.49 -0.28 0.03 -0.54 -0.29 0.00 0.00 176.35 175.77 3f1f s LYS 144 N 1.91 2.76 0.02 1.98 3.01 -0.59 -5.04 119.74 123.80 3f1f s LYS 144 Ca 0.30 -1.06 0.02 0.00 -1.01 0.00 0.00 55.97 54.21 3f1f s LYS 144 Cb -0.16 -3.25 -0.04 0.00 -1.01 0.00 0.00 37.83 33.37 3f1f s LYS 144 CO 0.11 -0.53 0.04 0.08 0.51 0.00 0.00 175.35 175.56 3f1f s VAL 145 N 1.38 4.37 0.23 3.17 1.01 -1.26 -1.16 120.40 128.13 3f1f s VAL 145 Ca -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3f1f s VAL 145 Cb -0.18 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3f1f s VAL 145 CO 0.00 0.30 0.37 -1.22 0.00 0.00 0.00 175.10 174.55 3f1f n TYR 146 N 1.09 -1.34 -3.21 5.22 4.02 -0.91 -4.96 117.16 117.06 3f1f n TYR 146 Ca -0.13 -1.34 -0.01 0.00 -0.01 0.00 0.00 57.90 56.41 3f1f n TYR 146 Cb 0.52 0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 40.24 3f1f n TYR 146 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3f1f s ALA 147 N -2.08 -1.91 0.11 -0.72 0.00 -1.26 -1.68 121.76 114.23 3f1f s ALA 147 Ca 0.15 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3f1f s ALA 147 Cb -0.01 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3f1f s ALA 147 CO 0.11 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.53 3f1f n GLY 148 N 5.39 -1.37 0.00 0.00 0.00 -1.26 -4.74 105.19 103.21 3f1f n GLY 148 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3f1f n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3f1f n PRO 149 N -2.76 0.00 -2.27 1.61 -0.04 -1.26 -4.88 135.00 125.40 3f1f n PRO 149 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3f1f n PRO 149 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3f1f n PRO 149 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3f1f n ASP 150 N 0.00 -9.22 -2.13 3.54 9.92 -1.26 -4.79 116.55 112.61 3f1f n ASP 150 Ca 0.00 1.70 -0.01 0.00 -0.53 0.00 0.00 54.79 55.95 3f1f n ASP 150 Cb 0.00 -5.15 0.00 0.00 -0.64 0.00 0.00 41.12 35.34 3f1f n ASP 150 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3f1f n HIS 151 N 1.91 -2.14 -2.26 1.24 1.44 -1.26 -4.91 115.22 109.25 3f1f n HIS 151 Ca 0.00 -0.10 -0.42 0.00 -2.01 0.00 0.00 57.72 55.20 3f1f n HIS 151 Cb 0.00 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.06 3f1f n HIS 151 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3f1f s PRO 152 N -2.11 3.25 -1.05 -1.40 0.02 -1.26 -4.93 135.00 127.52 3f1f s PRO 152 Ca 0.02 0.74 -0.25 0.00 0.02 0.00 0.00 61.00 61.53 3f1f s PRO 152 Cb -0.00 -4.16 -0.18 0.00 0.02 0.00 0.00 34.50 30.17 3f1f s PRO 152 CO 0.01 -1.98 2.01 0.72 -0.33 0.00 0.00 177.00 177.43 3f1f n HIS 153 N 10.08 1.62 0.00 6.54 8.25 -1.26 -4.77 115.22 135.68 3f1f n HIS 153 Ca 0.16 -0.77 0.00 0.00 -0.26 0.00 0.00 57.72 56.86 3f1f n HIS 153 Cb 0.49 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 29.12 3f1f n HIS 153 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3f1f n GLN 154 N 8.14 0.00 0.00 -0.41 7.27 -1.26 -5.00 117.38 126.12 3f1f n GLN 154 Ca 0.43 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.81 3f1f n GLN 154 Cb 0.46 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 31.84 3f1f n GLN 154 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3f1f n ALA 155 N -1.42 0.00 -2.26 1.69 0.00 -1.26 -5.10 120.51 112.16 3f1f n ALA 155 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3f1f n ALA 155 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3f1f n ALA 155 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f1f s GLN 156 N 0.00 4.40 -0.28 0.00 -0.21 -1.26 -4.90 119.66 117.41 3f1f s GLN 156 Ca 0.00 1.91 0.21 0.00 0.02 0.00 0.00 55.36 57.50 3f1f s GLN 156 Cb 0.00 -3.29 0.49 0.00 1.00 0.00 0.00 33.01 31.21 3f1f s GLN 156 CO 0.00 -0.30 1.13 -2.13 -2.12 0.00 0.00 175.29 171.87 3f1f n ARG 157 N 3.67 1.59 -1.81 2.91 0.63 -1.26 -4.80 116.66 117.60 3f1f n ARG 157 Ca 0.09 -3.23 -0.34 0.00 -0.92 0.00 0.00 57.85 53.45 3f1f n ARG 157 Cb 0.44 -1.34 -0.04 0.00 0.45 0.00 0.00 32.46 31.98 3f1f n ARG 157 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3f1f s PRO 158 N -3.26 2.32 0.60 -0.14 0.02 -1.26 -4.62 135.00 128.65 3f1f s PRO 158 Ca 0.25 0.83 -0.19 0.00 0.02 0.00 0.00 61.00 61.92 3f1f s PRO 158 Cb 0.36 -4.56 -0.05 0.00 0.02 0.00 0.00 34.50 30.27 3f1f s PRO 158 CO -0.04 -3.16 1.01 -1.91 -0.33 0.00 0.00 177.00 172.57 3f1f n GLU 159 N 9.06 0.96 -4.27 5.54 2.13 -1.26 -2.41 120.64 130.39 3f1f n GLU 159 Ca 0.31 0.37 -0.19 0.00 0.66 0.00 0.00 57.16 58.31 3f1f n GLU 159 Cb 0.52 -2.22 -0.08 0.00 0.27 0.00 0.00 31.44 29.93 3f1f n GLU 159 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3f1f s LYS 160 N -2.80 1.74 0.00 5.31 -0.14 -0.47 -4.81 119.74 118.56 3f1f s LYS 160 Ca 0.76 -1.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.38 3f1f s LYS 160 Cb -0.42 0.33 0.00 0.00 -1.68 0.00 0.00 37.83 36.06 3f1f s LYS 160 CO 0.47 -0.64 0.00 1.47 -0.76 0.00 0.00 175.35 175.88