#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f2h n LYS 2 N 0.00 2.40 -0.54 0.03 3.00 -1.26 -4.89 118.16 116.90 3f2h n LYS 2 Ca 0.00 0.85 0.10 0.00 -0.00 0.00 0.00 58.31 59.25 3f2h n LYS 2 Cb 0.00 -2.52 0.34 0.00 0.00 0.00 0.00 35.03 32.85 3f2h n LYS 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3f2h n LEU 3 N 1.15 4.50 -0.36 3.14 4.77 -1.26 -4.57 117.00 124.37 3f2h n LEU 3 Ca 0.05 -2.34 0.05 0.00 -0.03 0.00 0.00 56.01 53.74 3f2h n LEU 3 Cb 0.36 -0.54 0.21 0.00 -2.33 0.00 0.00 43.42 41.12 3f2h n LEU 3 CO 0.63 0.85 1.24 0.00 -1.33 0.00 0.00 177.39 178.78 3f2h h ALA 4 N 3.99 1.47 -0.94 -1.18 0.00 -1.99 -1.01 119.26 119.60 3f2h h ALA 4 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3f2h h ALA 4 Cb 1.32 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 3f2h h ALA 4 CO 0.17 0.30 0.59 -1.35 0.00 0.00 0.00 179.25 178.96 3f2h h PRO 5 N 1.05 1.01 -0.26 0.00 0.11 -2.00 -0.06 132.00 131.85 3f2h h PRO 5 Ca 0.47 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.44 3f2h h PRO 5 Cb 0.38 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3f2h h PRO 5 CO -0.23 0.67 -0.17 1.88 -0.21 0.00 0.00 178.00 179.94 3f2h h TYR 6 N 1.04 0.68 -0.64 0.65 0.05 -1.55 -2.12 116.97 115.08 3f2h h TYR 6 Ca 0.42 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.98 3f2h h TYR 6 Cb 0.24 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3f2h h TYR 6 CO -0.02 0.85 0.25 0.82 -1.05 0.00 0.00 178.16 179.01 3f2h h ILE 7 N 0.31 1.24 0.08 -2.88 2.04 -1.16 -1.51 117.51 115.62 3f2h h ILE 7 Ca 0.05 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3f2h h ILE 7 Cb 0.69 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3f2h h ILE 7 CO 0.05 0.30 -0.04 0.25 0.00 0.00 0.00 178.15 178.71 3f2h h LEU 8 N 0.91 -0.09 -0.88 1.44 5.85 -0.97 -0.08 115.31 121.50 3f2h h LEU 8 Ca 0.21 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 3f2h h LEU 8 Cb 0.22 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3f2h h LEU 8 CO -0.02 0.13 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.71 3f2h h GLU 9 N -0.30 0.63 0.41 1.25 4.39 -1.35 -0.54 114.58 119.07 3f2h h GLU 9 Ca -0.01 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 3f2h h GLU 9 Cb 0.26 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3f2h h GLU 9 CO 0.02 0.78 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.38 3f2h h LEU 10 N 0.57 -0.47 -0.48 1.33 4.07 -1.17 0.16 115.31 119.32 3f2h h LEU 10 Ca 0.09 -0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.12 3f2h h LEU 10 Cb 0.62 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.42 3f2h h LEU 10 CO 0.04 -0.29 0.09 -0.07 -1.08 0.00 0.00 178.44 177.13 3f2h h LEU 11 N -0.61 -0.01 -0.46 1.67 3.38 -0.92 0.38 115.31 118.74 3f2h h LEU 11 Ca -0.06 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3f2h h LEU 11 Cb 0.46 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3f2h h LEU 11 CO 0.09 0.02 0.21 0.74 0.09 0.00 0.00 178.44 179.59 3f2h h THR 12 N 0.22 0.93 -0.07 0.22 2.02 -0.95 -0.21 112.91 115.07 3f2h h THR 12 Ca 0.24 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.32 3f2h h THR 12 Cb 0.32 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 3f2h h THR 12 CO -0.32 0.08 -0.21 0.28 0.37 0.00 0.00 175.52 175.71 3f2h h SER 13 N 0.41 -0.65 -0.12 4.18 0.02 0.07 -2.41 113.55 115.06 3f2h h SER 13 Ca 0.21 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3f2h h SER 13 Cb 0.15 0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3f2h h SER 13 CO -0.17 -0.27 0.00 0.52 -1.14 0.00 0.00 176.83 175.77 3f2h n VAL 14 N -5.35 0.19 -3.73 2.27 0.31 0.05 -5.09 118.33 106.99 3f2h n VAL 14 Ca -0.04 -0.17 -0.37 0.00 -0.01 0.00 0.00 64.34 63.76 3f2h n VAL 14 Cb 0.26 0.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 3f2h n VAL 14 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3f2h s ASN 15 N -0.89 5.33 0.00 4.52 0.02 -0.15 -3.66 114.94 120.11 3f2h s ASN 15 Ca 0.08 -2.23 0.00 0.00 -1.02 0.00 0.00 52.86 49.69 3f2h s ASN 15 Cb 0.04 -1.86 0.00 0.00 0.02 0.00 0.00 41.25 39.45 3f2h s ASN 15 CO 0.05 -0.52 0.00 0.41 0.02 0.00 0.00 177.10 177.06 3f2h n THR 20 N 4.35 0.00 -0.15 1.60 -1.04 -1.26 -4.90 114.28 112.88 3f2h n THR 20 Ca -0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3f2h n THR 20 Cb 0.40 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.97 3f2h n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3f2h h ALA 21 N 0.00 0.59 -0.01 2.41 0.00 -1.95 0.26 119.26 120.56 3f2h h ALA 21 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3f2h h ALA 21 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f2h h ALA 21 CO 0.00 -0.21 -0.44 -0.44 0.00 0.00 0.00 179.25 178.17 3f2h h ASP 22 N 0.36 0.02 0.40 0.00 3.32 -1.93 -2.97 116.42 115.62 3f2h h ASP 22 Ca 0.23 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.99 3f2h h ASP 22 Cb 0.22 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.78 3f2h h ASP 22 CO -0.22 0.45 -1.22 0.25 -1.72 0.00 0.00 179.24 176.78 3f2h h LEU 23 N 0.01 0.62 0.13 1.55 6.46 -1.79 -3.39 115.31 118.90 3f2h h LEU 23 Ca -0.00 -0.60 0.01 0.00 -0.12 0.00 0.00 57.88 57.17 3f2h h LEU 23 Cb 0.78 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 3f2h h LEU 23 CO 0.06 1.44 -0.52 0.25 -0.62 0.00 0.00 178.44 179.05 3f2h h LEU 24 N 0.16 -1.55 -0.13 2.25 5.85 -0.34 -1.63 115.31 119.92 3f2h h LEU 24 Ca -0.16 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3f2h h LEU 24 Cb 1.91 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 43.50 3f2h h LEU 24 CO 0.22 -0.56 0.08 0.58 -0.34 0.00 0.00 178.44 178.42 3f2h h VAL 25 N -0.75 1.02 -0.86 1.05 2.07 -1.76 -0.54 116.25 116.47 3f2h h VAL 25 Ca -0.00 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3f2h h VAL 25 Cb 0.76 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3f2h h VAL 25 CO -0.28 0.03 0.56 -0.65 0.02 0.00 0.00 177.57 177.25 3f2h h PRO 26 N 0.17 1.14 -0.28 1.57 0.11 -1.74 -1.54 132.00 131.43 3f2h h PRO 26 Ca 0.05 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3f2h h PRO 26 Cb -0.01 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.83 3f2h h PRO 26 CO -0.02 0.77 0.15 1.25 -0.21 0.00 0.00 178.00 179.93 3f2h h LEU 27 N 1.17 0.35 -0.39 2.35 5.85 -0.94 -1.37 115.31 122.33 3f2h h LEU 27 Ca 0.31 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3f2h h LEU 27 Cb -0.12 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 3f2h h LEU 27 CO -0.07 0.35 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.31 3f2h h LEU 28 N 0.33 -0.17 -1.26 2.25 3.38 -0.84 0.13 115.31 119.13 3f2h h LEU 28 Ca 0.10 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3f2h h LEU 28 Cb 0.08 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3f2h h LEU 28 CO -0.01 -0.05 0.23 0.03 0.09 0.00 0.00 178.44 178.73 3f2h h ARG 29 N 0.10 0.75 -0.03 1.13 3.08 -1.05 -0.09 114.38 118.26 3f2h h ARG 29 Ca 0.19 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3f2h h ARG 29 Cb 0.27 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3f2h h ARG 29 CO -0.33 0.60 -0.05 0.93 -1.07 0.00 0.00 179.97 180.05 3f2h h GLU 30 N 0.74 0.09 -0.30 0.04 4.39 -0.68 -3.16 114.58 115.70 3f2h h GLU 30 Ca 0.18 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.88 3f2h h GLU 30 Cb 0.11 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3f2h h GLU 30 CO -0.02 0.62 0.20 -0.07 -1.16 0.00 0.00 179.01 178.58 3f2h h LEU 31 N -0.43 0.13 -1.35 1.33 3.38 -0.46 -1.46 115.31 116.45 3f2h h LEU 31 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f2h h LEU 31 Cb 0.61 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3f2h h LEU 31 CO 0.01 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3f2h h ALA 32 N 1.84 1.00 0.00 1.53 0.00 -0.98 -0.15 119.26 122.51 3f2h h ALA 32 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f2h h ALA 32 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3f2h h ALA 32 CO -0.02 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.10 3f2h h LYS 33 N 0.00 0.00 0.00 0.00 1.57 -1.33 -3.48 116.57 113.33 3f2h h LYS 33 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f2h h LYS 33 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3f2h h LYS 33 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3f2h n GLY 34 N 0.73 0.89 3.38 3.86 0.00 -0.07 -5.09 105.19 108.89 3f2h n GLY 34 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3f2h n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f2h s ARG 35 N -0.95 1.41 0.86 1.61 0.52 -1.26 -5.05 118.95 116.08 3f2h s ARG 35 Ca 0.00 -1.57 -0.12 0.00 -0.52 0.00 0.00 55.73 53.52 3f2h s ARG 35 Cb 0.00 -1.39 0.10 0.00 0.52 0.00 0.00 34.95 34.17 3f2h s ARG 35 CO 0.00 0.26 1.07 -2.30 0.02 0.00 0.00 175.30 174.35 3f2h n PRO 36 N -0.17 -0.10 -3.95 3.54 -0.02 -1.26 -4.66 135.00 128.37 3f2h n PRO 36 Ca -0.09 0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.13 3f2h n PRO 36 Cb 0.59 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 3f2h n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3f2h s VAL 37 N -2.33 1.56 0.62 -1.45 1.01 0.47 -4.93 120.40 115.35 3f2h s VAL 37 Ca 0.69 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 3f2h s VAL 37 Cb -0.26 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3f2h s VAL 37 CO 0.56 -0.04 1.19 -0.94 0.00 0.00 0.00 175.10 175.87 3f2h s SER 38 N 1.39 5.05 0.42 3.32 1.04 -1.26 -1.11 113.70 122.54 3f2h s SER 38 Ca -0.05 2.33 0.09 0.00 0.48 0.00 0.00 55.95 58.80 3f2h s SER 38 Cb -0.18 -2.59 0.89 0.00 0.10 0.00 0.00 66.02 64.23 3f2h s SER 38 CO -0.07 -1.69 2.03 0.03 0.98 0.00 0.00 173.24 174.53 3f2h h ARG 39 N 0.62 0.39 -0.22 4.02 3.08 -1.98 -1.79 114.38 118.51 3f2h h ARG 39 Ca -0.50 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.39 3f2h h ARG 39 Cb 1.29 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3f2h h ARG 39 CO 0.54 0.32 -0.41 1.15 -1.07 0.00 0.00 179.97 180.50 3f2h h THR 40 N 0.40 1.30 -0.26 2.04 2.02 -1.98 -1.00 112.91 115.42 3f2h h THR 40 Ca 0.10 -1.57 -0.14 0.00 0.77 0.00 0.00 66.41 65.57 3f2h h THR 40 Cb 0.07 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3f2h h THR 40 CO -0.01 0.49 -0.41 0.74 0.37 0.00 0.00 175.52 176.69 3f2h h THR 41 N 0.42 1.30 0.12 3.16 2.02 -1.79 -2.86 112.91 115.28 3f2h h THR 41 Ca 0.04 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 3f2h h THR 41 Cb 0.89 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3f2h h THR 41 CO 0.08 0.51 -0.06 0.25 0.37 0.00 0.00 175.52 176.66 3f2h h LEU 42 N 0.51 -0.14 -1.42 2.58 6.46 -1.09 -2.55 115.31 119.66 3f2h h LEU 42 Ca 0.04 -0.11 0.22 0.00 -0.12 0.00 0.00 57.88 57.92 3f2h h LEU 42 Cb 0.93 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 40.82 3f2h h LEU 42 CO 0.08 0.02 0.63 0.00 -0.62 0.00 0.00 178.44 178.55 3f2h h ALA 43 N 0.57 2.17 -0.06 1.25 0.00 -1.14 -0.32 119.26 121.72 3f2h h ALA 43 Ca -0.02 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3f2h h ALA 43 Cb 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3f2h h ALA 43 CO 0.03 -0.50 -0.77 0.78 0.00 0.00 0.00 179.25 178.79 3f2h h GLY 44 N 0.44 0.43 0.57 0.00 0.00 -1.26 0.12 103.07 103.36 3f2h h GLY 44 Ca 0.52 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3f2h h GLY 44 CO -0.23 0.56 -0.07 -2.22 0.00 0.00 0.00 176.54 174.57 3f2h h ILE 45 N 0.25 1.41 0.00 2.60 2.04 -0.78 -3.08 117.51 119.95 3f2h h ILE 45 Ca -0.04 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3f2h h ILE 45 Cb 1.35 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 3f2h h ILE 45 CO 0.13 0.36 0.00 0.18 0.00 0.00 0.00 178.15 178.82 3f2h n LEU 46 N -4.71 0.18 -3.57 1.44 4.77 -0.27 -4.89 117.00 109.96 3f2h n LEU 46 Ca -0.08 0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 56.17 3f2h n LEU 46 Cb 0.32 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 3f2h n LEU 46 CO 0.36 -0.21 0.10 0.47 -1.33 0.00 0.00 177.39 176.79 3f2h n ASP 47 N -1.69 -5.38 -4.88 -1.43 8.00 -0.33 -4.99 116.55 105.85 3f2h n ASP 47 Ca 0.05 -0.56 -0.21 0.00 0.71 0.00 0.00 54.79 54.77 3f2h n ASP 47 Cb 0.26 -4.30 -0.03 0.00 -0.02 0.00 0.00 41.12 37.03 3f2h n ASP 47 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3f2h s TRP 48 N -3.23 3.22 0.24 1.24 0.52 0.26 -5.02 118.94 116.16 3f2h s TRP 48 Ca 0.54 -0.09 -0.30 0.00 0.02 0.00 0.00 56.10 56.27 3f2h s TRP 48 Cb -0.26 -1.50 -0.09 0.00 -1.15 0.00 0.00 33.47 30.48 3f2h s TRP 48 CO 0.66 0.46 1.08 -2.14 0.02 0.00 0.00 176.95 177.04 3f2h s PRO 49 N -3.91 4.65 0.29 4.98 0.02 -1.26 -4.60 135.00 135.18 3f2h s PRO 49 Ca 0.34 1.74 0.03 0.00 0.02 0.00 0.00 61.00 63.13 3f2h s PRO 49 Cb -0.08 -3.23 0.75 0.00 0.02 0.00 0.00 34.50 31.96 3f2h s PRO 49 CO 0.27 0.20 1.64 0.00 -0.33 0.00 0.00 177.00 178.77 3f2h h ALA 50 N 4.32 1.33 -1.01 -1.55 0.00 -1.93 0.50 119.26 120.93 3f2h h ALA 50 Ca -0.46 0.23 0.25 0.00 0.00 0.00 0.00 54.91 54.94 3f2h h ALA 50 Cb 1.21 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 3f2h h ALA 50 CO 0.69 -0.50 0.65 0.93 0.00 0.00 0.00 179.25 181.03 3f2h h GLU 51 N 0.19 0.40 0.17 0.00 4.39 -1.99 -0.30 114.58 117.44 3f2h h GLU 51 Ca 0.57 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.98 3f2h h GLU 51 Cb 1.19 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 29.76 3f2h h GLU 51 CO -0.68 0.27 -1.26 -0.09 -1.16 0.00 0.00 179.01 176.09 3f2h h ARG 52 N 0.42 0.36 -0.63 2.33 2.43 -0.38 -2.66 114.38 116.24 3f2h h ARG 52 Ca 0.57 -0.61 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3f2h h ARG 52 Cb 1.41 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 31.13 3f2h h ARG 52 CO -0.27 1.29 0.34 0.28 -1.51 0.00 0.00 179.97 180.10 3f2h h VAL 53 N -0.17 0.95 -0.52 0.20 2.07 -0.94 -2.49 116.25 115.35 3f2h h VAL 53 Ca -0.24 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3f2h h VAL 53 Cb 1.86 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3f2h h VAL 53 CO 0.16 0.11 0.02 0.00 0.02 0.00 0.00 177.57 177.89 3f2h h ALA 54 N 1.34 1.07 -0.48 1.67 0.00 -1.12 -1.84 119.26 119.90 3f2h h ALA 54 Ca 0.29 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3f2h h ALA 54 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3f2h h ALA 54 CO -0.19 0.59 0.09 0.00 0.00 0.00 0.00 179.25 179.74 3f2h h ALA 55 N 1.23 0.64 -0.19 0.00 0.00 -1.22 -1.20 119.26 118.51 3f2h h ALA 55 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3f2h h ALA 55 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3f2h h ALA 55 CO 0.02 0.36 0.01 0.28 0.00 0.00 0.00 179.25 179.92 3f2h h VAL 56 N 0.67 1.24 -0.53 0.00 2.07 -1.28 -3.06 116.25 115.35 3f2h h VAL 56 Ca 0.15 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3f2h h VAL 56 Cb 0.38 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3f2h h VAL 56 CO 0.01 0.25 0.16 -0.07 0.02 0.00 0.00 177.57 177.93 3f2h h LEU 57 N 0.10 0.73 -1.11 2.57 3.38 -1.29 -2.72 115.31 116.97 3f2h h LEU 57 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3f2h h LEU 57 Cb 0.35 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3f2h h LEU 57 CO 0.01 0.69 0.61 -0.08 0.09 0.00 0.00 178.44 179.76 3f2h h GLU 58 N 0.77 1.20 0.00 1.13 4.81 -1.12 -0.47 114.58 120.90 3f2h h GLU 58 Ca 0.18 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3f2h h GLU 58 Cb 0.23 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3f2h h GLU 58 CO -0.01 0.79 -0.10 1.96 -0.73 0.00 0.00 179.01 180.92 3f2h h GLN 59 N 1.23 0.00 -4.88 1.92 1.08 -1.39 -3.36 115.11 109.70 3f2h h GLN 59 Ca 0.34 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.82 3f2h h GLN 59 Cb -0.14 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.12 3f2h h GLN 59 CO -0.07 0.10 1.23 0.00 -0.95 0.00 0.00 178.83 179.14 3f2h s ALA 60 N -3.81 3.78 0.37 3.87 0.00 -0.19 -4.86 121.76 120.93 3f2h s ALA 60 Ca -0.00 -3.16 0.32 0.00 0.00 0.00 0.00 51.96 49.11 3f2h s ALA 60 Cb 0.11 -4.13 1.59 0.00 0.00 0.00 0.00 23.12 20.69 3f2h s ALA 60 CO 0.57 -2.86 2.09 1.15 0.00 0.00 0.00 175.76 176.72 3f2h h THR 61 N 5.05 0.31 -0.00 0.00 2.02 -1.77 -2.31 112.91 116.21 3f2h h THR 61 Ca 0.27 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3f2h h THR 61 Cb 0.92 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3f2h h THR 61 CO 1.21 0.07 -0.21 -1.20 0.37 0.00 0.00 175.52 175.76 3f2h n SER 62 N -3.38 0.66 -4.61 4.18 7.64 -1.26 -4.95 113.62 111.90 3f2h n SER 62 Ca -0.01 -0.58 -0.45 0.00 1.01 0.00 0.00 58.87 58.84 3f2h n SER 62 Cb 0.23 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 3f2h n SER 62 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3f2h n THR 63 N -0.95 1.69 -3.87 0.44 -1.04 -0.87 -4.94 114.28 104.75 3f2h n THR 63 Ca 0.12 -0.42 -0.36 0.00 -2.04 0.00 0.00 64.05 61.35 3f2h n THR 63 Cb 0.32 -1.11 -0.07 0.00 -1.82 0.00 0.00 70.33 67.65 3f2h n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3f2h s GLU 64 N -1.27 3.73 0.12 -2.82 2.02 0.09 -4.98 118.70 115.59 3f2h s GLU 64 Ca 0.62 -0.20 0.09 0.00 0.02 0.00 0.00 54.97 55.49 3f2h s GLU 64 Cb -0.70 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 3f2h s GLU 64 CO 0.58 0.56 -0.21 0.71 0.02 0.00 0.00 175.26 176.91 3f2h s TYR 65 N -0.39 1.87 0.30 1.61 2.02 -1.26 -0.70 117.35 120.80 3f2h s TYR 65 Ca 0.11 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3f2h s TYR 65 Cb -0.12 -1.01 0.06 0.00 -0.40 0.00 0.00 41.96 40.49 3f2h s TYR 65 CO 0.01 0.25 0.41 -0.40 -1.57 0.00 0.00 175.55 174.26 3f2h n ASP 66 N 0.94 0.56 0.32 2.29 5.68 -0.52 -4.86 116.55 120.96 3f2h n ASP 66 Ca -0.18 -1.47 0.21 0.00 -0.50 0.00 0.00 54.79 52.84 3f2h n ASP 66 Cb 0.54 -0.27 1.10 0.00 -1.14 0.00 0.00 41.12 41.35 3f2h n ASP 66 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3f2h h LYS 67 N 0.00 0.00 -0.30 0.11 2.10 -2.02 -0.53 116.57 115.92 3f2h h LYS 67 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 3f2h h LYS 67 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3f2h h LYS 67 CO 0.15 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.35 3f2h n ASP 68 N -2.95 3.04 -0.01 7.07 8.00 -1.26 -4.95 116.55 125.48 3f2h n ASP 68 Ca -0.03 -1.88 -0.00 0.00 0.71 0.00 0.00 54.79 53.59 3f2h n ASP 68 Cb 0.11 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3f2h n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f2h n GLY 69 N 1.10 0.41 3.77 0.44 0.00 -0.21 -5.02 105.19 105.68 3f2h n GLY 69 Ca 0.15 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3f2h n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f2h s ASN 70 N -2.02 5.80 0.03 1.61 0.02 -1.26 -4.78 114.94 114.33 3f2h s ASN 70 Ca 0.00 2.23 -0.30 0.00 -1.02 0.00 0.00 52.86 53.76 3f2h s ASN 70 Cb 0.00 -2.59 -0.06 0.00 0.02 0.00 0.00 41.25 38.62 3f2h s ASN 70 CO 0.00 -1.17 1.35 -0.63 0.02 0.00 0.00 177.10 176.67 3f2h s ILE 71 N -1.70 3.71 0.00 0.60 1.01 -0.27 -1.43 121.20 123.12 3f2h s ILE 71 Ca 0.71 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.51 3f2h s ILE 71 Cb -0.26 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3f2h s ILE 71 CO 0.29 0.03 0.25 2.30 0.00 0.00 0.00 174.94 177.81 3f2h n ILE 72 N 4.39 0.00 -3.67 2.92 -5.35 0.12 -0.40 119.36 117.38 3f2h n ILE 72 Ca 0.12 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 62.15 3f2h n ILE 72 Cb 0.44 1.19 -0.09 0.00 -1.74 0.00 0.00 39.64 39.44 3f2h n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3f2h s GLY 73 N -0.23 -0.43 -0.46 3.28 0.00 -1.04 -0.99 107.32 107.45 3f2h s GLY 73 Ca 0.00 1.78 0.05 0.00 0.00 0.00 0.00 44.72 46.55 3f2h s GLY 73 CO 0.00 2.07 0.76 -0.47 0.00 0.00 0.00 173.10 175.46 3f2h s TYR 74 N 1.78 -1.45 0.00 1.90 6.04 -1.26 -0.73 117.35 123.62 3f2h s TYR 74 Ca -0.08 -0.26 0.00 0.00 0.04 0.00 0.00 57.07 56.77 3f2h s TYR 74 Cb -0.09 0.28 0.00 0.00 -1.04 0.00 0.00 41.96 41.12 3f2h s TYR 74 CO -0.15 -1.09 0.00 0.41 -1.54 0.00 0.00 175.55 173.18 3f2h n GLY 75 N 3.35 1.34 3.77 8.97 0.00 -1.26 -4.79 105.19 116.57 3f2h n GLY 75 Ca 0.15 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3f2h n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f2h s LEU 76 N 0.00 4.41 0.08 0.99 2.96 -1.26 -1.15 118.68 124.70 3f2h s LEU 76 Ca 0.00 1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.89 3f2h s LEU 76 Cb 0.00 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 3f2h s LEU 76 CO 0.00 0.15 0.17 0.28 -1.32 0.00 0.00 176.35 175.63 3f2h s THR 77 N -0.32 0.14 -0.88 3.68 -1.32 -0.17 -4.28 115.64 112.50 3f2h s THR 77 Ca 0.28 -1.17 0.23 0.00 -1.21 0.00 0.00 61.69 59.81 3f2h s THR 77 Cb -0.17 -1.27 -0.15 0.00 -1.51 0.00 0.00 72.50 69.40 3f2h s THR 77 CO 0.15 -0.65 1.05 0.18 -2.21 0.00 0.00 174.62 173.14 3f2h n LEU 78 N 0.10 0.74 -4.70 9.08 4.77 -0.16 -1.53 117.00 125.30 3f2h n LEU 78 Ca -0.16 -0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.17 3f2h n LEU 78 Cb 0.62 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3f2h n LEU 78 CO 0.23 0.16 0.46 -0.60 -1.33 0.00 0.00 177.39 176.32 3f2h s ARG 79 N -3.06 4.38 0.25 3.23 3.52 -1.26 -4.89 118.95 121.10 3f2h s ARG 79 Ca 0.07 0.90 -0.31 0.00 -0.13 0.00 0.00 55.73 56.27 3f2h s ARG 79 Cb 0.16 -3.50 -0.13 0.00 -1.56 0.00 0.00 34.95 29.92 3f2h s ARG 79 CO 0.81 -0.08 1.41 -1.91 -0.81 0.00 0.00 175.30 174.71 3f2h n GLU 80 N 4.34 2.06 -3.05 5.12 2.13 -1.26 -4.78 120.64 125.19 3f2h n GLU 80 Ca 0.01 0.73 -0.10 0.00 0.66 0.00 0.00 57.16 58.45 3f2h n GLU 80 Cb 0.50 -2.39 -0.03 0.00 0.27 0.00 0.00 31.44 29.79 3f2h n GLU 80 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3f2h n THR 81 N 1.85 0.00 0.56 6.31 -2.24 -1.26 -5.03 114.28 114.46 3f2h n THR 81 Ca 0.11 -1.08 0.08 0.00 -2.27 0.00 0.00 64.05 60.89 3f2h n THR 81 Cb 0.32 0.45 0.35 0.00 -2.10 0.00 0.00 70.33 69.35 3f2h n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3f2h n SER 82 N -2.04 0.03 -4.09 3.42 7.64 -1.26 -4.62 113.62 112.70 3f2h n SER 82 Ca -0.00 0.51 -0.33 0.00 1.01 0.00 0.00 58.87 60.05 3f2h n SER 82 Cb 0.27 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 62.82 3f2h n SER 82 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3f2h s TYR 83 N -3.01 3.53 0.03 1.43 2.02 -1.26 -4.33 117.35 115.76 3f2h s TYR 83 Ca 0.08 -2.49 -0.23 0.00 -0.37 0.00 0.00 57.07 54.05 3f2h s TYR 83 Cb 0.11 -2.68 -0.05 0.00 -0.40 0.00 0.00 41.96 38.93 3f2h s TYR 83 CO 0.30 -0.91 0.71 0.08 -1.57 0.00 0.00 175.55 174.15 3f2h s VAL 84 N 1.07 4.80 -0.36 0.71 1.01 0.33 -0.92 120.40 127.03 3f2h s VAL 84 Ca 0.04 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3f2h s VAL 84 Cb -0.20 -4.05 0.13 0.00 0.00 0.00 0.00 36.38 32.26 3f2h s VAL 84 CO -0.05 0.38 0.20 0.12 0.00 0.00 0.00 175.10 175.75 3f2h s PHE 85 N -0.09 1.09 -0.27 5.22 5.36 -0.15 -1.65 117.98 127.48 3f2h s PHE 85 Ca 0.36 -1.75 -0.13 0.00 -0.96 0.00 0.00 56.93 54.44 3f2h s PHE 85 Cb -0.20 -1.24 -0.04 0.00 -0.34 0.00 0.00 43.02 41.20 3f2h s PHE 85 CO 0.21 -0.82 0.30 -2.00 -1.46 0.00 0.00 175.22 171.44 3f2h s GLU 86 N 1.06 4.01 -0.03 10.12 2.12 -0.81 -1.10 118.70 134.07 3f2h s GLU 86 Ca 0.16 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.45 3f2h s GLU 86 Cb -0.22 -3.64 -0.08 0.00 0.26 0.00 0.00 34.13 30.45 3f2h s GLU 86 CO -0.06 -0.20 0.07 -0.89 -0.54 0.00 0.00 175.26 173.64 3f2h n ILE 87 N 4.99 0.18 -1.68 -3.70 2.08 -1.26 -0.88 119.36 119.09 3f2h n ILE 87 Ca -0.11 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.03 3f2h n ILE 87 Cb 0.51 -0.24 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 3f2h n ILE 87 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3f2h n ARG 90 N -1.94 -4.38 -2.78 0.38 1.74 -1.26 -5.01 116.66 103.40 3f2h n ARG 90 Ca -0.05 3.19 -0.43 0.00 -0.77 0.00 0.00 57.85 59.80 3f2h n ARG 90 Cb 0.41 -3.37 -0.04 0.00 -1.02 0.00 0.00 32.46 28.44 3f2h n ARG 90 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3f2h s ARG 91 N -1.49 3.34 0.30 5.56 3.52 -1.26 -4.94 118.95 123.98 3f2h s ARG 91 Ca 0.00 -0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 3f2h s ARG 91 Cb 0.00 -4.06 0.04 0.00 -1.56 0.00 0.00 34.95 29.37 3f2h s ARG 91 CO 0.00 -1.58 0.36 1.28 -0.81 0.00 0.00 175.30 174.55 3f2h n LEU 92 N 7.74 0.00 -4.12 -0.88 4.77 -0.26 -4.96 117.00 119.30 3f2h n LEU 92 Ca 0.03 -1.39 -0.08 0.00 -0.03 0.00 0.00 56.01 54.53 3f2h n LEU 92 Cb 0.48 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 3f2h n LEU 92 CO 0.65 -0.55 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.50 3f2h s TYR 93 N -1.08 0.68 0.09 -1.77 2.02 -0.58 -0.98 117.35 115.73 3f2h s TYR 93 Ca 0.27 -1.09 0.05 0.00 -0.37 0.00 0.00 57.07 55.93 3f2h s TYR 93 Cb -0.02 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 3f2h s TYR 93 CO 0.17 -0.38 -0.12 0.00 -1.57 0.00 0.00 175.55 173.65 3f2h s ALA 94 N -3.90 1.18 0.35 3.71 0.00 -0.10 -1.00 121.76 122.01 3f2h s ALA 94 Ca 0.13 -1.13 0.16 0.00 0.00 0.00 0.00 51.96 51.11 3f2h s ALA 94 Cb 0.07 -0.03 0.82 0.00 0.00 0.00 0.00 23.12 23.99 3f2h s ALA 94 CO -0.06 0.05 1.85 -1.49 0.00 0.00 0.00 175.76 176.12 3f2h h TRP 95 N 3.82 0.00 -3.26 0.00 6.55 -1.46 -3.37 115.95 118.23 3f2h h TRP 95 Ca -0.39 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.44 3f2h h TRP 95 Cb 1.19 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.44 3f2h h TRP 95 CO 0.64 0.33 0.12 0.00 -1.05 0.00 0.00 178.44 178.48 3f2h h ALA 97 N 2.07 0.39 -0.85 0.00 0.00 -1.62 -2.92 119.26 116.32 3f2h h ALA 97 Ca -0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3f2h h ALA 97 Cb 1.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3f2h h ALA 97 CO 0.32 -0.11 0.57 1.25 0.00 0.00 0.00 179.25 181.27 3f2h h LEU 98 N 0.39 0.98 -0.81 0.00 5.85 -1.92 -2.12 115.31 117.68 3f2h h LEU 98 Ca 0.11 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.93 3f2h h LEU 98 Cb 0.02 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.72 3f2h h LEU 98 CO -0.02 0.71 0.41 0.44 -0.34 0.00 0.00 178.44 179.63 3f2h h ASP 99 N 1.15 0.50 0.50 1.25 3.32 -1.91 -1.68 116.42 119.55 3f2h h ASP 99 Ca 0.31 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3f2h h ASP 99 Cb -0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3f2h h ASP 99 CO -0.07 0.23 -0.06 0.71 -1.72 0.00 0.00 179.24 178.33 3f2h h THR 100 N 0.62 0.26 0.00 0.35 1.35 -1.34 -1.57 112.91 112.57 3f2h h THR 100 Ca 0.43 -0.42 -0.21 0.00 -0.55 0.00 0.00 66.41 65.66 3f2h h THR 100 Cb 0.56 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 3f2h h THR 100 CO -0.34 0.06 -1.30 -0.07 -0.25 0.00 0.00 175.52 173.62 3f2h h LEU 101 N 0.00 0.00 0.15 3.87 3.38 -1.35 -3.39 115.31 117.97 3f2h h LEU 101 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3f2h h LEU 101 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3f2h h LEU 101 CO 0.01 0.80 -1.86 0.40 0.09 0.00 0.00 178.44 177.89 3f2h h ILE 102 N 0.00 0.77 -0.91 1.22 2.04 -0.99 -3.41 117.51 116.24 3f2h h ILE 102 Ca -0.15 -2.41 0.02 0.00 1.00 0.00 0.00 64.86 63.32 3f2h h ILE 102 Cb 1.75 2.62 -0.05 0.00 -0.74 0.00 0.00 36.82 40.40 3f2h h ILE 102 CO 0.08 0.87 0.60 -0.26 0.00 0.00 0.00 178.15 179.43 3f2h h PHE 103 N 0.05 1.13 -0.87 1.37 0.04 -1.51 -3.11 116.94 114.04 3f2h h PHE 103 Ca -0.39 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.47 3f2h h PHE 103 Cb 2.03 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 39.75 3f2h h PHE 103 CO 0.09 0.70 0.57 -1.35 -0.60 0.00 0.00 178.31 177.72 3f2h h PRO 104 N 1.20 0.97 -0.65 1.51 0.11 -1.79 -0.56 132.00 132.79 3f2h h PRO 104 Ca 0.34 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 3f2h h PRO 104 Cb -0.10 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.77 3f2h h PRO 104 CO -0.08 0.64 0.13 0.00 -0.21 0.00 0.00 178.00 178.48 3f2h h ALA 105 N 1.52 1.00 0.00 -0.75 0.00 -1.76 -0.27 119.26 119.00 3f2h h ALA 105 Ca 0.37 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3f2h h ALA 105 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3f2h h ALA 105 CO -0.13 0.64 -0.29 -0.07 0.00 0.00 0.00 179.25 179.39 3f2h h LEU 106 N 0.99 0.00 -0.65 0.00 3.38 -1.20 -3.22 115.31 114.60 3f2h h LEU 106 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3f2h h LEU 106 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3f2h h LEU 106 CO 0.01 0.29 -0.36 -0.38 0.09 0.00 0.00 178.44 178.09 3f2h n ILE 107 N -3.29 0.00 -2.66 1.22 5.41 -0.43 -4.85 119.36 114.76 3f2h n ILE 107 Ca 0.01 -0.32 -0.14 0.00 1.00 0.00 0.00 62.75 63.30 3f2h n ILE 107 Cb 0.55 1.13 0.02 0.00 -0.71 0.00 0.00 39.64 40.62 3f2h n ILE 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3f2h n GLY 108 N 1.11 -0.08 3.21 7.39 0.00 -0.16 -5.00 105.19 111.66 3f2h n GLY 108 Ca 0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 3f2h n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f2h s ARG 109 N -5.16 0.95 -0.04 1.61 1.81 -0.93 -5.02 118.95 112.17 3f2h s ARG 109 Ca 0.16 -1.21 -0.16 0.00 -1.72 0.00 0.00 55.73 52.80 3f2h s ARG 109 Cb -0.07 -0.73 -0.05 0.00 -0.45 0.00 0.00 34.95 33.65 3f2h s ARG 109 CO 0.20 0.13 0.43 0.99 -0.68 0.00 0.00 175.30 176.37 3f2h s THR 110 N -2.32 5.07 -0.03 0.02 2.01 -1.26 -4.34 115.64 114.79 3f2h s THR 110 Ca 0.08 0.89 0.06 0.00 0.31 0.00 0.00 61.69 63.02 3f2h s THR 110 Cb -0.04 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 3f2h s THR 110 CO 0.02 0.49 -0.22 0.00 -0.69 0.00 0.00 174.62 174.22 3f2h s ALA 111 N -0.47 1.85 -0.45 7.40 0.00 -0.22 -4.68 121.76 125.20 3f2h s ALA 111 Ca 0.24 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 3f2h s ALA 111 Cb -0.16 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3f2h s ALA 111 CO 0.12 0.41 0.70 1.03 0.00 0.00 0.00 175.76 178.02 3f2h s ARG 112 N -0.32 3.31 -0.12 0.00 0.52 -0.06 -1.05 118.95 121.24 3f2h s ARG 112 Ca 0.03 -0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 3f2h s ARG 112 Cb -0.10 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.37 3f2h s ARG 112 CO 0.01 -1.07 0.14 0.08 0.02 0.00 0.00 175.30 174.48 3f2h s VAL 113 N 3.00 5.48 0.05 3.52 1.01 0.04 -1.92 120.40 131.57 3f2h s VAL 113 Ca 0.25 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 3f2h s VAL 113 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3f2h s VAL 113 CO 0.20 0.62 0.11 -0.94 0.00 0.00 0.00 175.10 175.08 3f2h s SER 114 N -1.00 0.18 0.00 3.32 1.04 -0.66 -1.68 113.70 114.90 3f2h s SER 114 Ca 0.15 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3f2h s SER 114 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3f2h s SER 114 CO 0.04 -0.55 0.00 -0.24 0.98 0.00 0.00 173.24 173.47 3f2h n SER 115 N 0.60 0.00 -4.03 7.02 2.88 -0.48 -0.51 113.62 119.09 3f2h n SER 115 Ca -0.18 -0.28 -0.17 0.00 -1.33 0.00 0.00 58.87 56.90 3f2h n SER 115 Cb 0.59 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.91 3f2h n SER 115 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3f2h s HIS 116 N -3.48 0.76 -0.06 0.66 3.76 -1.26 -1.12 115.29 114.54 3f2h s HIS 116 Ca 0.00 -0.23 -0.36 0.00 -0.15 0.00 0.00 55.06 54.32 3f2h s HIS 116 Cb 0.00 -0.47 -0.14 0.00 1.11 0.00 0.00 32.58 33.08 3f2h s HIS 116 CO 0.00 -0.02 1.70 0.00 -0.85 0.00 0.00 174.74 175.57 3f2h h ALA 118 N 7.27 1.00 0.09 0.00 0.00 -1.71 0.94 119.26 126.85 3f2h h ALA 118 Ca -0.47 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 3f2h h ALA 118 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3f2h h ALA 118 CO 0.91 0.00 -1.96 0.00 0.00 0.00 0.00 179.25 178.20 3f2h n ALA 119 N -1.93 1.05 0.00 0.00 0.00 -1.26 -4.70 120.51 113.66 3f2h n ALA 119 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3f2h n ALA 119 Cb 0.24 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3f2h n ALA 119 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f2h n THR 120 N -3.37 0.00 -0.37 0.00 -2.24 -1.19 -5.01 114.28 102.11 3f2h n THR 120 Ca -0.29 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3f2h n THR 120 Cb 1.05 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 3f2h n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f2h n GLY 121 N 1.35 2.24 3.74 3.38 0.00 0.32 -4.98 105.19 111.24 3f2h n GLY 121 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3f2h n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f2h n ALA 122 N 0.36 2.00 -1.77 4.61 0.00 -1.26 -4.47 120.51 119.97 3f2h n ALA 122 Ca 0.00 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 3f2h n ALA 122 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 3f2h n ALA 122 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3f2h s PRO 123 N -1.63 4.17 0.06 0.00 0.02 -1.26 0.25 135.00 136.60 3f2h s PRO 123 Ca 0.57 2.04 0.05 0.00 0.02 0.00 0.00 61.00 63.67 3f2h s PRO 123 Cb -0.52 -2.86 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 3f2h s PRO 123 CO 0.60 -0.29 -0.13 0.14 -0.33 0.00 0.00 177.00 176.99 3f2h s VAL 124 N -1.26 1.03 0.17 3.83 -7.23 -0.28 -4.72 120.40 111.94 3f2h s VAL 124 Ca 0.53 -1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 59.35 3f2h s VAL 124 Cb -0.36 -0.98 0.04 0.00 0.56 0.00 0.00 36.38 35.65 3f2h s VAL 124 CO 0.46 -0.16 0.54 -0.94 -0.31 0.00 0.00 175.10 174.69 3f2h s SER 125 N -1.50 -0.37 -0.05 4.85 1.04 -0.62 -1.39 113.70 115.67 3f2h s SER 125 Ca -0.02 -0.27 -0.31 0.00 0.48 0.00 0.00 55.95 55.83 3f2h s SER 125 Cb -0.09 0.58 0.11 0.00 0.10 0.00 0.00 66.02 66.72 3f2h s SER 125 CO 0.02 -1.01 1.12 -1.48 0.98 0.00 0.00 173.24 172.87 3f2h s LEU 126 N -2.82 -0.17 -0.17 2.42 2.34 -0.68 -1.12 118.68 118.48 3f2h s LEU 126 Ca 0.05 -0.10 -0.03 0.00 0.06 0.00 0.00 54.13 54.11 3f2h s LEU 126 Cb -0.01 1.66 -0.02 0.00 -0.56 0.00 0.00 46.19 47.26 3f2h s LEU 126 CO -0.08 -0.45 -0.06 -0.89 -1.06 0.00 0.00 176.35 173.81 3f2h s THR 127 N -2.72 3.54 -0.20 5.48 2.01 -0.25 -0.78 115.64 122.72 3f2h s THR 127 Ca 0.10 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.64 3f2h s THR 127 Cb 0.00 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.99 3f2h s THR 127 CO -0.04 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.50 3f2h s VAL 128 N 0.67 2.12 0.55 3.82 1.01 -0.21 -0.86 120.40 127.48 3f2h s VAL 128 Ca -0.03 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 60.94 3f2h s VAL 128 Cb -0.15 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.32 3f2h s VAL 128 CO 0.02 0.42 0.50 -0.94 0.00 0.00 0.00 175.10 175.10 3f2h s SER 129 N 1.26 4.76 0.49 3.32 1.04 0.13 -1.05 113.70 123.64 3f2h s SER 129 Ca 0.02 -1.13 0.15 0.00 0.48 0.00 0.00 55.95 55.47 3f2h s SER 129 Cb -0.14 0.36 1.18 0.00 0.10 0.00 0.00 66.02 67.51 3f2h s SER 129 CO -0.11 -1.15 2.09 -0.65 0.98 0.00 0.00 173.24 174.39 3f2h h PRO 130 N 0.61 0.16 0.00 4.02 0.11 -1.76 -3.25 132.00 131.89 3f2h h PRO 130 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3f2h h PRO 130 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3f2h h PRO 130 CO 0.53 0.10 -0.68 -1.13 -0.21 0.00 0.00 178.00 176.62 3f2h n SER 131 N -4.49 1.00 -3.64 -2.05 3.41 -1.26 -4.53 113.62 102.06 3f2h n SER 131 Ca 0.02 -0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 58.03 3f2h n SER 131 Cb 0.19 1.10 -0.01 0.00 -0.26 0.00 0.00 64.21 65.23 3f2h n SER 131 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3f2h s GLU 132 N -2.06 0.89 0.05 4.33 -1.05 -1.23 -5.15 118.70 114.48 3f2h s GLU 132 Ca 0.02 -0.44 0.06 0.00 -0.15 0.00 0.00 54.97 54.46 3f2h s GLU 132 Cb 0.07 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 3f2h s GLU 132 CO 0.39 -0.40 -0.11 0.96 0.95 0.00 0.00 175.26 177.04 3f2h s ILE 133 N -3.04 3.31 0.21 1.83 -4.36 -1.26 -0.70 121.20 117.19 3f2h s ILE 133 Ca 0.10 -1.04 -0.00 0.00 -0.26 0.00 0.00 60.65 59.44 3f2h s ILE 133 Cb -0.00 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 3f2h s ILE 133 CO -0.03 0.29 0.11 -1.10 0.24 0.00 0.00 174.94 174.45 3f2h s GLN 134 N -1.67 1.24 -1.44 0.37 -1.52 -0.04 -4.90 119.66 111.69 3f2h s GLN 134 Ca 0.18 -1.65 -0.05 0.00 -1.95 0.00 0.00 55.36 51.89 3f2h s GLN 134 Cb -0.11 0.09 0.04 0.00 -0.22 0.00 0.00 33.01 32.81 3f2h s GLN 134 CO 0.09 -0.34 0.63 0.00 -0.25 0.00 0.00 175.29 175.42 3f2h n ALA 135 N -0.31 -1.79 -2.61 6.09 0.00 -1.26 -1.09 120.51 119.53 3f2h n ALA 135 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 3f2h n ALA 135 Cb 0.66 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 3f2h n ALA 135 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3f2h s VAL 136 N -3.69 4.61 -0.20 0.00 1.01 -1.26 -3.94 120.40 116.93 3f2h s VAL 136 Ca 0.21 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 64.06 3f2h s VAL 136 Cb -0.11 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.11 3f2h s VAL 136 CO 0.87 -0.10 0.11 -1.61 0.00 0.00 0.00 175.10 174.36 3f2h s GLU 137 N 2.79 0.10 0.61 2.72 2.02 -0.28 -2.69 118.70 123.97 3f2h s GLU 137 Ca 0.48 -0.16 -0.15 0.00 0.02 0.00 0.00 54.97 55.16 3f2h s GLU 137 Cb -0.18 -1.64 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 3f2h s GLU 137 CO 0.13 -0.75 1.06 -2.14 0.02 0.00 0.00 175.26 173.58 3f2h s PRO 138 N 2.14 3.23 0.46 0.39 0.02 -1.26 -1.58 135.00 138.40 3f2h s PRO 138 Ca 0.04 1.21 0.23 0.00 0.02 0.00 0.00 61.00 62.50 3f2h s PRO 138 Cb -0.16 -2.02 1.24 0.00 0.02 0.00 0.00 34.50 33.58 3f2h s PRO 138 CO -0.15 -0.88 1.85 0.00 -0.33 0.00 0.00 177.00 177.49 3f2h h ALA 139 N 0.31 2.46 -0.33 -1.55 0.00 -1.84 -0.62 119.26 117.68 3f2h h ALA 139 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3f2h h ALA 139 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3f2h h ALA 139 CO 0.57 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 179.48 3f2h n GLY 140 N -1.59 0.92 3.53 0.00 0.00 -1.26 -4.96 105.19 101.84 3f2h n GLY 140 Ca 0.20 -0.38 -0.49 0.00 0.00 0.00 0.00 46.02 45.35 3f2h n GLY 140 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3f2h n MET 141 N 0.47 0.84 -4.61 1.61 1.56 -0.24 -3.41 117.12 113.34 3f2h n MET 141 Ca 0.12 0.30 -0.27 0.00 -0.27 0.00 0.00 57.70 57.57 3f2h n MET 141 Cb 0.37 -1.65 -0.10 0.00 2.15 0.00 0.00 33.22 33.99 3f2h n MET 141 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3f2h s ALA 142 N -0.57 3.16 -0.01 -5.12 0.00 -0.01 -1.43 121.76 117.78 3f2h s ALA 142 Ca 0.69 -1.90 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3f2h s ALA 142 Cb -0.87 0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3f2h s ALA 142 CO 0.55 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 176.19 3f2h s VAL 143 N -2.87 0.49 0.06 0.00 1.01 0.56 -0.45 120.40 119.20 3f2h s VAL 143 Ca 0.30 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 3f2h s VAL 143 Cb 0.08 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.96 3f2h s VAL 143 CO 0.15 0.15 0.48 -0.94 0.00 0.00 0.00 175.10 174.94 3f2h s SER 144 N 0.04 6.85 0.04 3.32 1.04 -0.77 -1.48 113.70 122.75 3f2h s SER 144 Ca -0.00 1.04 0.08 0.00 0.48 0.00 0.00 55.95 57.55 3f2h s SER 144 Cb -0.05 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 3f2h s SER 144 CO -0.00 0.24 -0.24 -0.76 0.98 0.00 0.00 173.24 173.46 3f2h s LEU 145 N -1.41 2.17 0.26 2.42 1.43 0.10 -3.87 118.68 119.78 3f2h s LEU 145 Ca 0.30 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3f2h s LEU 145 Cb -0.17 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.83 3f2h s LEU 145 CO 0.17 0.22 -0.02 0.68 0.23 0.00 0.00 176.35 177.63 3f2h s VAL 146 N -0.80 1.32 -0.15 -1.59 -7.23 -1.26 -0.38 120.40 110.31 3f2h s VAL 146 Ca 0.10 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 57.92 3f2h s VAL 146 Cb -0.09 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 3f2h s VAL 146 CO 0.02 -0.27 0.99 -0.76 -0.31 0.00 0.00 175.10 174.77 3f2h s LEU 147 N -3.39 4.20 0.65 1.32 1.43 -0.59 -4.96 118.68 117.34 3f2h s LEU 147 Ca 0.30 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 54.67 3f2h s LEU 147 Cb 0.05 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3f2h s LEU 147 CO 0.11 -0.50 0.95 -2.65 0.23 0.00 0.00 176.35 174.49 3f2h n PRO 148 N 5.39 0.75 -4.40 1.29 -0.02 -1.26 -4.89 135.00 131.86 3f2h n PRO 148 Ca 0.09 0.30 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 3f2h n PRO 148 Cb 0.48 -2.18 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 3f2h n PRO 148 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3f2h s GLN 149 N -2.95 1.63 0.40 -0.52 -0.21 -1.26 -4.99 119.66 111.76 3f2h s GLN 149 Ca 0.76 -0.37 0.11 0.00 0.02 0.00 0.00 55.36 55.88 3f2h s GLN 149 Cb -0.39 -1.44 0.81 0.00 1.00 0.00 0.00 33.01 33.00 3f2h s GLN 149 CO 0.48 -0.05 1.91 0.93 -2.12 0.00 0.00 175.29 176.44 3f2h h GLU 150 N 7.27 0.14 -0.01 2.91 4.39 -1.96 -2.50 114.58 124.81 3f2h h GLU 150 Ca -0.31 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3f2h h GLU 150 Cb 1.17 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3f2h h GLU 150 CO 0.46 0.34 -0.31 0.00 -1.16 0.00 0.00 179.01 178.33 3f2h n ALA 151 N -2.49 3.20 -2.88 3.43 0.00 -1.26 -4.97 120.51 115.55 3f2h n ALA 151 Ca -0.01 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 3f2h n ALA 151 Cb 0.30 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 3f2h n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f2h s ALA 152 N -2.49 3.72 0.08 0.00 0.00 -0.94 -5.06 121.76 117.08 3f2h s ALA 152 Ca 0.23 -1.30 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 3f2h s ALA 152 Cb 0.19 -1.48 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 3f2h s ALA 152 CO 0.53 0.31 1.65 0.34 0.00 0.00 0.00 175.76 178.59 3f2h s ASP 153 N -3.73 6.59 0.21 0.00 2.15 -1.26 -4.90 116.67 115.73 3f2h s ASP 153 Ca 0.33 2.51 -0.02 0.00 0.43 0.00 0.00 52.55 55.80 3f2h s ASP 153 Cb -0.09 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 40.15 3f2h s ASP 153 CO 0.26 -0.88 1.57 1.62 -0.17 0.00 0.00 175.17 177.57 3f2h h VAL 154 N 4.69 1.30 -0.37 1.11 3.04 -1.97 0.03 116.25 124.08 3f2h h VAL 154 Ca -0.43 -1.60 -0.01 0.00 -1.01 0.00 0.00 66.70 63.65 3f2h h VAL 154 Cb 1.20 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 32.04 3f2h h VAL 154 CO 0.93 0.51 0.18 -0.09 -1.01 0.00 0.00 177.57 178.08 3f2h h ARG 155 N 0.48 0.53 -0.01 4.17 9.65 -1.95 -0.80 114.38 126.45 3f2h h ARG 155 Ca 0.04 -0.08 -0.23 0.00 -1.10 0.00 0.00 59.98 58.60 3f2h h ARG 155 Cb 0.94 -0.10 0.02 0.00 -1.39 0.00 0.00 29.97 29.44 3f2h h ARG 155 CO 0.08 0.47 -0.91 1.96 2.80 0.00 0.00 179.97 184.38 3f2h h GLN 156 N 0.46 0.64 0.00 0.20 1.08 -1.94 -0.08 115.11 115.47 3f2h h GLN 156 Ca 0.13 -0.67 -0.23 0.00 -1.45 0.00 0.00 58.65 56.43 3f2h h GLN 156 Cb 0.12 0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 3f2h h GLN 156 CO -0.02 1.27 -1.26 0.66 -0.95 0.00 0.00 178.83 178.53 3f2h h SER 157 N 0.28 0.00 0.00 1.46 4.64 -1.01 -3.39 113.55 115.54 3f2h h SER 157 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3f2h h SER 157 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3f2h h SER 157 CO 0.18 0.93 -0.03 0.33 -0.87 0.00 0.00 176.83 177.37 3f2h n PHE 158 N -3.19 0.00 -0.23 4.77 7.35 -0.38 -4.78 117.46 121.00 3f2h n PHE 158 Ca -0.07 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.65 3f2h n PHE 158 Cb 0.96 -0.02 0.13 0.00 0.35 0.00 0.00 39.48 40.91 3f2h n PHE 158 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f2h n SER 160 N -5.25 0.00 -0.33 0.00 3.41 -0.05 -1.71 113.62 109.70 3f2h n SER 160 Ca 0.11 0.32 0.04 0.00 -0.26 0.00 0.00 58.87 59.08 3f2h n SER 160 Cb 0.40 -0.37 0.04 0.00 -0.26 0.00 0.00 64.21 64.03 3f2h n SER 160 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3f2h n HIS 161 N -1.37 0.04 -3.61 7.33 8.25 -0.15 -4.89 115.22 120.83 3f2h n HIS 161 Ca 0.02 -0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 57.02 3f2h n HIS 161 Cb 0.05 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 3f2h n HIS 161 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3f2h s VAL 162 N -0.69 4.18 0.35 1.59 1.01 -0.69 -4.56 120.40 121.58 3f2h s VAL 162 Ca 0.10 -2.57 0.08 0.00 0.00 0.00 0.00 61.98 59.59 3f2h s VAL 162 Cb 0.07 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3f2h s VAL 162 CO 0.10 -0.88 0.15 -1.00 0.00 0.00 0.00 175.10 173.47 3f2h s HIS 163 N 0.34 2.70 0.25 5.22 3.76 -1.25 -1.65 115.29 124.65 3f2h s HIS 163 Ca 0.14 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.56 3f2h s HIS 163 Cb -0.19 -1.68 -0.07 0.00 1.11 0.00 0.00 32.58 31.74 3f2h s HIS 163 CO -0.04 0.31 0.56 -0.06 -0.85 0.00 0.00 174.74 174.66 3f2h s PHE 164 N -2.44 3.44 0.04 1.40 0.08 -1.26 -1.84 117.98 117.39 3f2h s PHE 164 Ca 0.38 0.83 0.01 0.00 0.12 0.00 0.00 56.93 58.28 3f2h s PHE 164 Cb -0.02 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 3f2h s PHE 164 CO 0.23 0.24 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.47 3f2h s PHE 165 N -1.89 0.53 0.50 0.36 0.08 0.40 -1.85 117.98 116.12 3f2h s PHE 165 Ca 0.47 -0.54 0.16 0.00 0.12 0.00 0.00 56.93 57.14 3f2h s PHE 165 Cb -0.11 -0.33 1.23 0.00 -0.57 0.00 0.00 43.02 43.23 3f2h s PHE 165 CO 0.23 -0.13 2.11 0.00 -0.10 0.00 0.00 175.22 177.33 3f2h h ALA 166 N 4.47 1.88 -2.99 5.36 0.00 -1.90 0.00 119.26 126.07 3f2h h ALA 166 Ca -0.34 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3f2h h ALA 166 Cb 1.20 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3f2h h ALA 166 CO 0.42 0.07 0.21 -1.54 0.00 0.00 0.00 179.25 178.41 3f2h s SER 167 N -6.99 -0.36 0.08 0.00 1.04 -1.26 -3.38 113.70 102.84 3f2h s SER 167 Ca -0.05 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.77 3f2h s SER 167 Cb 0.16 0.68 -0.09 0.00 0.10 0.00 0.00 66.02 66.88 3f2h s SER 167 CO 0.67 -1.22 1.54 0.58 0.98 0.00 0.00 173.24 175.80 3f2h h VAL 168 N 2.01 1.23 -0.47 5.02 2.07 -1.87 -0.57 116.25 123.67 3f2h h VAL 168 Ca -0.24 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.55 3f2h h VAL 168 Cb 1.27 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 3f2h h VAL 168 CO 0.28 0.24 0.23 -0.65 0.02 0.00 0.00 177.57 177.69 3f2h h PRO 169 N 0.15 0.44 -0.32 1.57 0.11 -1.97 0.36 132.00 132.34 3f2h h PRO 169 Ca 0.06 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.19 3f2h h PRO 169 Cb 0.33 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 3f2h h PRO 169 CO 0.01 0.29 0.08 1.15 -0.21 0.00 0.00 178.00 179.31 3f2h h THR 170 N 0.45 0.86 -0.88 -1.15 2.02 -1.94 -0.09 112.91 112.18 3f2h h THR 170 Ca 0.20 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 3f2h h THR 170 Cb 0.12 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3f2h h THR 170 CO -0.15 0.04 0.54 0.00 0.37 0.00 0.00 175.52 176.32 3f2h h ALA 171 N 1.23 1.30 -0.56 6.16 0.00 -0.56 -1.02 119.26 125.80 3f2h h ALA 171 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3f2h h ALA 171 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3f2h h ALA 171 CO -0.18 0.61 -0.01 0.93 0.00 0.00 0.00 179.25 180.60 3f2h h GLU 172 N 1.21 0.98 -0.50 0.00 5.08 0.47 0.55 114.58 122.37 3f2h h GLU 172 Ca 0.32 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3f2h h GLU 172 Cb -0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3f2h h GLU 172 CO -0.06 0.97 0.28 -0.44 -1.00 0.00 0.00 179.01 178.76 3f2h h ASP 173 N 0.90 0.63 -0.48 1.42 3.45 -0.61 -1.59 116.42 120.12 3f2h h ASP 173 Ca 0.16 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 3f2h h ASP 173 Cb 0.54 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3f2h h ASP 173 CO 0.03 0.54 0.16 -0.25 -1.57 0.00 0.00 179.24 178.14 3f2h h TRP 174 N 0.67 0.77 -0.57 4.55 7.01 -0.68 -3.04 115.95 124.65 3f2h h TRP 174 Ca 0.18 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.10 3f2h h TRP 174 Cb 0.05 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 3f2h h TRP 174 CO -0.02 0.67 0.36 0.00 -2.79 0.00 0.00 178.44 176.66 3f2h h ALA 175 N 1.01 1.56 0.00 2.65 0.00 0.38 -1.51 119.26 123.35 3f2h h ALA 175 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3f2h h ALA 175 Cb 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3f2h h ALA 175 CO -0.01 0.40 -0.02 0.66 0.00 0.00 0.00 179.25 180.28 3f2h h SER 176 N 0.78 0.00 0.26 0.00 4.64 -1.17 -1.08 113.55 116.97 3f2h h SER 176 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3f2h h SER 176 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3f2h h SER 176 CO -0.04 0.02 -0.37 0.29 -0.87 0.00 0.00 176.83 175.86 3f2h n LYS 177 N -3.57 0.65 -2.11 4.77 5.02 -0.57 -4.28 118.16 118.07 3f2h n LYS 177 Ca -0.03 -0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 55.76 3f2h n LYS 177 Cb 0.11 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.68 3f2h n LYS 177 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3f2h n HIS 178 N -0.82 1.68 1.16 2.13 8.25 -0.42 -4.84 115.22 122.37 3f2h n HIS 178 Ca 0.10 -1.96 0.02 0.00 -0.26 0.00 0.00 57.72 55.61 3f2h n HIS 178 Cb 0.36 -0.27 0.09 0.00 1.12 0.00 0.00 29.99 31.29 3f2h n HIS 178 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f2h n GLN 179 N -0.61 0.58 0.00 -0.41 10.64 -1.19 -2.20 117.38 124.19 3f2h n GLN 179 Ca 0.25 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.55 3f2h n GLN 179 Cb 0.89 -1.09 0.48 0.00 -0.86 0.00 0.00 30.24 29.67 3f2h n GLN 179 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3f2h n GLY 180 N 0.10 -1.42 3.69 2.61 0.00 -1.26 -4.81 105.19 104.10 3f2h n GLY 180 Ca 0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3f2h n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f2h s LEU 181 N -3.04 4.25 -0.22 0.99 1.02 -0.94 -4.97 118.68 115.78 3f2h s LEU 181 Ca 0.13 1.59 -0.28 0.00 0.02 0.00 0.00 54.13 55.58 3f2h s LEU 181 Cb 0.18 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.79 3f2h s LEU 181 CO 0.59 -0.47 2.00 -0.70 0.02 0.00 0.00 176.35 177.79 3f2h s GLU 182 N 2.03 3.40 -0.53 1.70 2.56 -1.26 -2.37 118.70 124.23 3f2h s GLU 182 Ca 0.50 1.89 0.00 0.00 0.00 0.00 0.00 54.97 57.36 3f2h s GLU 182 Cb -0.19 -4.26 0.00 0.00 2.00 0.00 0.00 34.13 31.68 3f2h s GLU 182 CO 0.19 -1.79 0.00 0.41 -0.56 0.00 0.00 175.26 173.51 3f2h n GLY 183 N 5.37 0.34 3.72 -1.50 0.00 -1.26 -1.54 105.19 110.32 3f2h n GLY 183 Ca 0.25 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3f2h n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f2h s LEU 184 N -1.56 4.37 0.00 0.99 2.96 -1.00 -3.91 118.68 120.53 3f2h s LEU 184 Ca 0.00 2.82 -0.10 0.00 -0.22 0.00 0.00 54.13 56.63 3f2h s LEU 184 Cb 0.00 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.10 3f2h s LEU 184 CO 0.00 -0.93 0.20 0.00 -1.32 0.00 0.00 176.35 174.30 3f2h s ALA 185 N 1.06 -0.48 -0.16 5.97 0.00 0.49 -4.98 121.76 123.65 3f2h s ALA 185 Ca 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 3f2h s ALA 185 Cb -0.48 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3f2h s ALA 185 CO 0.33 -0.25 -0.11 0.42 0.00 0.00 0.00 175.76 176.16 3f2h s ILE 186 N -1.56 3.11 0.23 0.00 -1.09 -1.26 0.02 121.20 120.64 3f2h s ILE 186 Ca -0.13 -0.62 0.06 0.00 -2.23 0.00 0.00 60.65 57.73 3f2h s ILE 186 Cb -0.06 -2.34 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 3f2h s ILE 186 CO 0.02 0.49 -0.08 0.68 -1.23 0.00 0.00 174.94 174.82 3f2h s VAL 187 N 0.76 1.45 0.82 2.92 -7.23 -0.55 -4.99 120.40 113.57 3f2h s VAL 187 Ca -0.04 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.90 3f2h s VAL 187 Cb -0.15 -2.22 0.08 0.00 0.56 0.00 0.00 36.38 34.65 3f2h s VAL 187 CO 0.01 -0.46 1.09 -0.94 -0.31 0.00 0.00 175.10 174.50 3f2h s SER 188 N -3.33 4.13 0.45 4.85 1.04 -1.26 -0.33 113.70 119.25 3f2h s SER 188 Ca 0.25 1.67 0.23 0.00 0.48 0.00 0.00 55.95 58.59 3f2h s SER 188 Cb 0.03 -2.37 1.07 0.00 0.10 0.00 0.00 66.02 64.85 3f2h s SER 188 CO 0.08 -2.25 1.91 1.62 0.98 0.00 0.00 173.24 175.58 3f2h h VAL 189 N -1.28 0.71 -0.24 5.02 3.04 -1.53 -0.47 116.25 121.49 3f2h h VAL 189 Ca -0.46 -0.97 -0.06 0.00 -1.01 0.00 0.00 66.70 64.20 3f2h h VAL 189 Cb 1.25 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 3f2h h VAL 189 CO 0.53 0.22 -0.08 0.45 -1.01 0.00 0.00 177.57 177.69 3f2h h HIS 190 N 0.00 0.54 -0.71 3.17 3.86 -1.92 0.57 115.15 120.67 3f2h h HIS 190 Ca -0.00 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 3f2h h HIS 190 Cb 0.59 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3f2h h HIS 190 CO 0.00 0.72 0.36 0.93 0.86 0.00 0.00 177.93 180.80 3f2h h GLU 191 N 0.21 1.00 -0.56 2.45 5.08 -1.79 -1.15 114.58 119.82 3f2h h GLU 191 Ca 0.06 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3f2h h GLU 191 Cb 0.55 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3f2h h GLU 191 CO 0.03 0.76 -0.09 0.00 -1.00 0.00 0.00 179.01 178.71 3f2h h ALA 192 N 1.39 0.76 -0.56 3.43 0.00 -0.90 -1.26 119.26 122.12 3f2h h ALA 192 Ca 0.25 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3f2h h ALA 192 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3f2h h ALA 192 CO -0.04 0.67 0.03 0.35 0.00 0.00 0.00 179.25 180.27 3f2h h PHE 193 N 0.93 1.05 -0.87 0.00 3.57 -0.49 -1.17 116.94 119.96 3f2h h PHE 193 Ca 0.15 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3f2h h PHE 193 Cb 0.66 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3f2h h PHE 193 CO 0.05 0.94 0.55 0.78 -2.23 0.00 0.00 178.31 178.39 3f2h h GLY 194 N 0.85 1.24 1.01 2.40 0.00 -1.10 -0.92 103.07 106.56 3f2h h GLY 194 Ca 0.16 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3f2h h GLY 194 CO 0.02 0.48 0.39 -2.00 0.00 0.00 0.00 176.54 175.43 3f2h h LEU 195 N 1.19 0.90 -0.77 3.11 6.46 -0.81 -2.13 115.31 123.26 3f2h h LEU 195 Ca 0.31 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3f2h h LEU 195 Cb -0.09 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.57 3f2h h LEU 195 CO -0.06 0.74 0.47 1.23 -0.62 0.00 0.00 178.44 180.19 3f2h h GLY 196 N 0.99 1.12 1.39 3.75 0.00 -0.63 -0.70 103.07 108.98 3f2h h GLY 196 Ca 0.25 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3f2h h GLY 196 CO -0.04 0.45 0.08 1.46 0.00 0.00 0.00 176.54 178.49 3f2h h GLN 197 N 1.06 0.76 -0.21 4.80 4.20 -0.71 -0.36 115.11 124.65 3f2h h GLN 197 Ca 0.28 -0.17 -0.20 0.00 0.06 0.00 0.00 58.65 58.62 3f2h h GLN 197 Cb -0.04 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.64 3f2h h GLN 197 CO -0.05 0.72 -0.67 0.93 -0.67 0.00 0.00 178.83 179.09 3f2h h GLU 198 N 0.73 0.82 0.07 1.46 4.39 -1.07 -1.41 114.58 119.57 3f2h h GLU 198 Ca 0.16 -0.60 0.02 0.00 0.34 0.00 0.00 59.36 59.27 3f2h h GLU 198 Cb 0.33 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3f2h h GLU 198 CO 0.01 1.22 -0.17 0.35 -1.16 0.00 0.00 179.01 179.25 3f2h h PHE 199 N 0.57 -0.45 -0.43 4.33 3.57 -0.85 -2.14 116.94 121.54 3f2h h PHE 199 Ca -0.02 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3f2h h PHE 199 Cb 1.29 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 3f2h h PHE 199 CO 0.08 -0.25 0.19 -0.91 -2.23 0.00 0.00 178.31 175.19 3f2h h ASN 200 N -0.32 0.26 -0.41 0.41 2.35 -1.04 0.10 115.58 116.92 3f2h h ASN 200 Ca 0.03 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 3f2h h ASN 200 Cb 0.35 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 3f2h h ASN 200 CO -0.11 0.19 0.08 -0.09 -1.65 0.00 0.00 177.43 175.84 3f2h h ARG 201 N 0.39 0.20 -0.27 0.81 2.43 -1.11 -1.09 114.38 115.75 3f2h h ARG 201 Ca 0.19 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 3f2h h ARG 201 Cb 0.13 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3f2h h ARG 201 CO -0.16 0.13 -0.37 0.45 -1.51 0.00 0.00 179.97 178.51 3f2h h HIS 202 N 0.20 0.73 -0.65 2.20 3.86 -0.87 -3.05 115.15 117.57 3f2h h HIS 202 Ca 0.20 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3f2h h HIS 202 Cb 0.25 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3f2h h HIS 202 CO -0.21 0.90 0.28 1.25 0.86 0.00 0.00 177.93 181.01 3f2h h LEU 203 N 0.51 0.88 -1.22 2.43 5.85 -0.18 -2.68 115.31 120.90 3f2h h LEU 203 Ca 0.05 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3f2h h LEU 203 Cb 0.88 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3f2h h LEU 203 CO 0.08 0.79 0.20 -0.07 -0.34 0.00 0.00 178.44 179.10 3f2h h LEU 204 N 0.90 0.67 -0.93 2.25 3.38 -1.14 -2.60 115.31 117.85 3f2h h LEU 204 Ca 0.22 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3f2h h LEU 204 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3f2h h LEU 204 CO -0.02 0.61 -0.12 1.56 0.09 0.00 0.00 178.44 180.57 3f2h h GLN 205 N 0.73 0.66 0.00 1.13 4.20 -1.38 -2.73 115.11 117.72 3f2h h GLN 205 Ca 0.18 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3f2h h GLN 205 Cb 0.16 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3f2h h GLN 205 CO -0.02 0.76 0.00 0.25 -0.67 0.00 0.00 178.83 179.15 3f2h n THR 206 N -4.18 0.67 -1.98 -0.54 -2.24 -0.99 -4.79 114.28 100.23 3f2h n THR 206 Ca 0.01 0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.64 3f2h n THR 206 Cb 0.35 -0.84 0.01 0.00 -2.10 0.00 0.00 70.33 67.75 3f2h n THR 206 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3f2h s MET 207 N -3.02 3.54 0.00 -0.78 -1.94 -1.03 -4.91 119.30 111.16 3f2h s MET 207 Ca 0.09 0.65 0.00 0.00 -1.71 0.00 0.00 55.69 54.72 3f2h s MET 207 Cb 0.13 -2.12 0.00 0.00 2.01 0.00 0.00 34.83 34.85 3f2h s MET 207 CO 0.36 -0.55 0.37 -1.13 -0.01 0.00 0.00 175.02 174.06