#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f2h s LYS 2 N 0.00 3.85 0.00 0.03 1.02 -1.26 -4.99 119.74 118.38 3f2h s LYS 2 Ca 0.00 -0.38 0.17 0.00 0.02 0.00 0.00 55.97 55.78 3f2h s LYS 2 Cb 0.00 -3.46 0.24 0.00 -0.52 0.00 0.00 37.83 34.09 3f2h s LYS 2 CO 0.00 -0.11 1.15 1.28 -0.92 0.00 0.00 175.35 176.75 3f2h n LEU 3 N 4.76 2.74 -0.29 3.17 4.77 -1.26 -4.42 117.00 126.46 3f2h n LEU 3 Ca -0.15 -1.33 0.04 0.00 -0.03 0.00 0.00 56.01 54.54 3f2h n LEU 3 Cb 0.52 -0.12 0.25 0.00 -2.33 0.00 0.00 43.42 41.74 3f2h n LEU 3 CO 0.33 0.57 1.25 0.00 -1.33 0.00 0.00 177.39 178.20 3f2h h ALA 4 N 3.22 1.54 -0.70 -1.18 0.00 -1.99 -1.98 119.26 118.16 3f2h h ALA 4 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3f2h h ALA 4 Cb 0.75 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3f2h h ALA 4 CO 0.00 0.33 0.46 -1.35 0.00 0.00 0.00 179.25 178.69 3f2h h PRO 5 N 0.99 0.90 -0.33 0.00 0.11 -2.00 0.87 132.00 132.54 3f2h h PRO 5 Ca 0.38 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.27 3f2h h PRO 5 Cb 0.21 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3f2h h PRO 5 CO -0.14 0.60 -0.47 1.88 -0.21 0.00 0.00 178.00 179.66 3f2h h TYR 6 N 0.93 1.08 -0.52 0.65 0.05 -1.69 -2.49 116.97 114.98 3f2h h TYR 6 Ca 0.26 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3f2h h TYR 6 Cb -0.07 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 3f2h h TYR 6 CO -0.00 1.18 0.29 0.82 -1.05 0.00 0.00 178.16 179.39 3f2h h ILE 7 N 0.70 1.18 0.37 -2.88 2.04 -0.77 -1.29 117.51 116.85 3f2h h ILE 7 Ca 0.04 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3f2h h ILE 7 Cb 1.06 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3f2h h ILE 7 CO 0.11 0.19 -0.18 0.25 0.00 0.00 0.00 178.15 178.52 3f2h h LEU 8 N 0.70 -0.42 -1.01 1.44 5.85 -0.81 -2.78 115.31 118.28 3f2h h LEU 8 Ca 0.18 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3f2h h LEU 8 Cb 0.04 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3f2h h LEU 8 CO -0.03 -0.17 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.50 3f2h h GLU 9 N -0.66 0.64 -0.45 1.25 4.39 -1.46 -2.30 114.58 115.99 3f2h h GLU 9 Ca -0.05 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3f2h h GLU 9 Cb 0.47 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3f2h h GLU 9 CO 0.08 0.71 0.29 1.25 -1.16 0.00 0.00 179.01 180.18 3f2h h LEU 10 N 0.60 0.53 -1.18 1.33 5.85 -1.21 -0.95 115.31 120.28 3f2h h LEU 10 Ca 0.11 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3f2h h LEU 10 Cb 0.47 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3f2h h LEU 10 CO 0.02 0.41 0.35 -0.07 -0.34 0.00 0.00 178.44 178.81 3f2h h LEU 11 N 0.61 0.82 0.92 2.25 3.38 -1.32 -0.28 115.31 121.68 3f2h h LEU 11 Ca 0.16 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3f2h h LEU 11 Cb -0.03 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.52 3f2h h LEU 11 CO -0.03 0.67 -0.44 0.74 0.09 0.00 0.00 178.44 179.46 3f2h h THR 12 N 0.92 0.07 0.81 0.22 2.02 -0.69 0.33 112.91 116.58 3f2h h THR 12 Ca 0.23 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 3f2h h THR 12 Cb 0.05 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3f2h h THR 12 CO -0.04 0.00 -0.40 -1.28 0.37 0.00 0.00 175.52 174.18 3f2h h SER 13 N -1.27 -0.94 -0.69 4.18 0.87 -1.19 -3.17 113.55 111.35 3f2h h SER 13 Ca -0.13 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3f2h h SER 13 Cb 0.95 0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 3f2h h SER 13 CO 0.21 -0.67 0.39 0.58 -0.53 0.00 0.00 176.83 176.81 3f2h h VAL 14 N -1.10 0.96 -2.56 2.23 2.07 -1.09 -3.51 116.25 113.26 3f2h h VAL 14 Ca -0.11 -0.24 -0.56 0.00 0.82 0.00 0.00 66.70 66.60 3f2h h VAL 14 Cb 0.84 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 3f2h h VAL 14 CO 0.18 0.13 -0.60 0.21 0.02 0.00 0.00 177.57 177.51 3f2h s ASN 15 N -5.60 5.13 0.00 0.57 3.04 0.11 -4.89 114.94 113.30 3f2h s ASN 15 Ca -0.13 -0.32 0.00 0.00 0.04 0.00 0.00 52.86 52.45 3f2h s ASN 15 Cb 0.17 -1.20 0.00 0.00 -1.54 0.00 0.00 41.25 38.67 3f2h s ASN 15 CO 0.76 0.04 0.00 0.61 -3.04 0.00 0.00 177.10 175.47 3f2h n GLY 19 N -0.56 0.00 0.29 1.21 0.00 -1.26 -4.70 105.19 100.17 3f2h n GLY 19 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.96 3f2h n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3f2h h THR 20 N 0.00 0.85 -0.58 2.61 2.02 -1.97 -0.77 112.91 115.08 3f2h h THR 20 Ca 0.00 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 3f2h h THR 20 Cb 0.00 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3f2h h THR 20 CO 0.00 0.12 0.03 0.00 0.37 0.00 0.00 175.52 176.04 3f2h h ALA 21 N 1.46 0.95 -0.32 6.16 0.00 -1.93 0.19 119.26 125.78 3f2h h ALA 21 Ca 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3f2h h ALA 21 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3f2h h ALA 21 CO -0.27 0.64 0.16 -0.44 0.00 0.00 0.00 179.25 179.34 3f2h h ASP 22 N 0.92 0.38 0.36 0.00 3.32 -1.59 -2.89 116.42 116.92 3f2h h ASP 22 Ca 0.17 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.88 3f2h h ASP 22 Cb 0.49 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.96 3f2h h ASP 22 CO 0.02 0.32 -1.55 0.25 -1.72 0.00 0.00 179.24 176.56 3f2h h LEU 23 N 0.44 0.56 0.02 1.55 6.46 -0.49 -3.39 115.31 120.45 3f2h h LEU 23 Ca 0.11 -0.72 0.01 0.00 -0.12 0.00 0.00 57.88 57.17 3f2h h LEU 23 Cb 0.03 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 3f2h h LEU 23 CO -0.02 1.59 -0.38 0.25 -0.62 0.00 0.00 178.44 179.26 3f2h h LEU 24 N 0.10 -1.18 -0.54 2.25 5.85 -0.42 -1.36 115.31 120.01 3f2h h LEU 24 Ca -0.26 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3f2h h LEU 24 Cb 2.07 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 43.49 3f2h h LEU 24 CO 0.20 -0.38 0.25 0.58 -0.34 0.00 0.00 178.44 178.74 3f2h h VAL 25 N -0.50 0.89 -0.32 1.05 2.07 -1.77 -0.69 116.25 116.99 3f2h h VAL 25 Ca 0.01 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 3f2h h VAL 25 Cb 0.52 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3f2h h VAL 25 CO -0.25 0.09 -0.15 -0.65 0.02 0.00 0.00 177.57 176.63 3f2h h PRO 26 N 0.47 0.56 -0.24 1.57 0.11 -1.73 -1.96 132.00 130.78 3f2h h PRO 26 Ca 0.25 -0.18 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 3f2h h PRO 26 Cb 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3f2h h PRO 26 CO -0.21 0.69 -0.11 1.25 -0.21 0.00 0.00 178.00 179.42 3f2h h LEU 27 N 0.51 0.51 -0.30 2.35 5.85 -0.48 -1.98 115.31 121.76 3f2h h LEU 27 Ca 0.09 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3f2h h LEU 27 Cb 0.56 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3f2h h LEU 27 CO 0.04 0.80 0.14 -0.07 -0.34 0.00 0.00 178.44 179.00 3f2h h LEU 28 N 0.22 0.19 -1.49 2.25 3.38 -1.07 0.17 115.31 118.95 3f2h h LEU 28 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3f2h h LEU 28 Cb 0.60 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3f2h h LEU 28 CO 0.03 0.15 0.15 0.03 0.09 0.00 0.00 178.44 178.89 3f2h h ARG 29 N 0.29 0.49 0.59 1.13 3.08 -1.35 0.58 114.38 119.19 3f2h h ARG 29 Ca 0.13 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3f2h h ARG 29 Cb 0.06 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.02 3f2h h ARG 29 CO -0.10 0.40 -0.28 0.93 -1.07 0.00 0.00 179.97 179.84 3f2h h GLU 30 N 0.49 -0.77 -1.04 0.04 4.39 -0.68 -3.14 114.58 113.88 3f2h h GLU 30 Ca 0.12 0.05 0.30 0.00 0.34 0.00 0.00 59.36 60.18 3f2h h GLU 30 Cb 0.08 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3f2h h GLU 30 CO -0.01 -0.49 0.78 -0.07 -1.16 0.00 0.00 179.01 178.05 3f2h h LEU 31 N -1.18 0.00 -0.07 1.33 3.38 -0.46 0.50 115.31 118.81 3f2h h LEU 31 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3f2h h LEU 31 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3f2h h LEU 31 CO 0.13 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3f2h n ALA 32 N -2.70 1.55 0.97 1.53 0.00 0.17 -1.52 120.51 120.51 3f2h n ALA 32 Ca 0.22 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.77 3f2h n ALA 32 Cb 1.13 -1.21 0.55 0.00 0.00 0.00 0.00 19.45 19.91 3f2h n ALA 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3f2h n LYS 33 N -1.57 0.02 -0.27 0.00 5.02 0.18 -4.92 118.16 116.62 3f2h n LYS 33 Ca 0.03 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3f2h n LYS 33 Cb 0.14 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3f2h n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f2h n GLY 34 N 1.48 0.72 3.31 0.72 0.00 -0.57 -5.07 105.19 105.78 3f2h n GLY 34 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.73 1.22 0.42 1.61 0.52 -1.26 -5.04 118.95 115.69 3f2h s ARG 35 Ca 0.00 -1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 53.54 3f2h s ARG 35 Cb 0.00 -1.12 -0.10 0.00 0.52 0.00 0.00 34.95 34.25 3f2h s ARG 35 CO 0.00 0.21 1.07 -2.30 0.02 0.00 0.00 175.30 174.30 3f2h n PRO 36 N 0.10 1.47 -4.22 3.54 -0.02 -1.26 -4.60 135.00 130.01 3f2h n PRO 36 Ca -0.12 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 3f2h n PRO 36 Cb 0.58 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.26 2.44 0.59 -1.45 1.01 0.15 -4.89 120.40 117.00 3f2h s VAL 37 Ca 0.63 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 3f2h s VAL 37 Cb -0.54 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3f2h s VAL 37 CO 0.57 0.51 0.99 -0.94 0.00 0.00 0.00 175.10 176.23 3f2h s SER 38 N 1.18 6.26 0.33 3.32 1.04 -1.26 0.22 113.70 124.79 3f2h s SER 38 Ca 0.02 1.35 0.03 0.00 0.48 0.00 0.00 55.95 57.83 3f2h s SER 38 Cb -0.14 -2.44 0.56 0.00 0.10 0.00 0.00 66.02 64.10 3f2h s SER 38 CO -0.07 -0.80 1.87 0.03 0.98 0.00 0.00 173.24 175.24 3f2h h ARG 39 N -0.15 0.60 -0.08 4.02 3.08 -1.99 -1.17 114.38 118.69 3f2h h ARG 39 Ca -0.45 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 59.31 3f2h h ARG 39 Cb 1.19 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3f2h h ARG 39 CO 0.62 0.59 -0.67 1.79 -1.07 0.00 0.00 179.97 181.24 3f2h h THR 40 N 0.58 1.38 -0.33 2.04 1.35 -1.98 0.18 112.91 116.13 3f2h h THR 40 Ca 0.13 -2.06 -0.07 0.00 -0.55 0.00 0.00 66.41 63.86 3f2h h THR 40 Cb 0.31 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 3f2h h THR 40 CO 0.01 0.62 -0.05 0.74 -0.25 0.00 0.00 175.52 176.58 3f2h h THR 41 N 0.25 1.27 -0.43 6.82 2.02 -1.89 -1.24 112.91 119.72 3f2h h THR 41 Ca -0.02 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 3f2h h THR 41 Cb 1.21 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3f2h h THR 41 CO 0.11 0.35 0.24 0.25 0.37 0.00 0.00 175.52 176.84 3f2h h LEU 42 N 0.41 0.53 -0.80 2.58 6.46 -1.10 -1.41 115.31 121.98 3f2h h LEU 42 Ca 0.09 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3f2h h LEU 42 Cb 0.54 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 3f2h h LEU 42 CO 0.03 0.47 0.51 0.00 -0.62 0.00 0.00 178.44 178.82 3f2h h ALA 43 N 1.09 1.02 -0.48 1.25 0.00 -0.58 -1.89 119.26 119.67 3f2h h ALA 43 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3f2h h ALA 43 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3f2h h ALA 43 CO -0.02 0.46 0.24 0.78 0.00 0.00 0.00 179.25 180.71 3f2h h GLY 44 N 1.10 0.74 0.96 0.00 0.00 -0.86 -0.48 103.07 104.52 3f2h h GLY 44 Ca 0.29 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3f2h h GLY 44 CO -0.06 0.34 0.66 -2.22 0.00 0.00 0.00 176.54 175.26 3f2h h ILE 45 N 0.64 1.23 0.00 2.60 2.04 -0.88 -2.85 117.51 120.28 3f2h h ILE 45 Ca 0.17 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3f2h h ILE 45 Cb 0.09 -0.22 0.00 0.00 -0.74 0.00 0.00 36.82 35.96 3f2h h ILE 45 CO -0.02 0.24 -0.42 0.18 0.00 0.00 0.00 178.15 178.13 3f2h n LEU 46 N -4.41 0.68 -2.40 1.44 4.77 -0.75 -4.94 117.00 111.39 3f2h n LEU 46 Ca 0.12 0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 3f2h n LEU 46 Cb 0.04 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 3f2h n LEU 46 CO 0.36 -0.07 0.08 0.47 -1.33 0.00 0.00 177.39 176.90 3f2h n ASP 47 N -2.07 -4.90 -4.58 -1.43 8.00 -0.29 -5.03 116.55 106.24 3f2h n ASP 47 Ca 0.04 -0.28 -0.28 0.00 0.71 0.00 0.00 54.79 54.97 3f2h n ASP 47 Cb 0.42 -3.63 -0.09 0.00 -0.02 0.00 0.00 41.12 37.80 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 -3.10 2.72 0.64 1.24 0.52 -0.60 -5.05 118.94 115.31 3f2h s TRP 48 Ca 0.31 -0.18 -0.17 0.00 0.02 0.00 0.00 56.10 56.08 3f2h s TRP 48 Cb -0.13 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.80 3f2h s TRP 48 CO 0.38 0.46 1.16 -2.14 0.02 0.00 0.00 176.95 176.83 3f2h s PRO 49 N -2.49 2.78 0.29 4.98 0.02 -1.26 -4.58 135.00 134.74 3f2h s PRO 49 Ca 0.23 1.60 -0.01 0.00 0.02 0.00 0.00 61.00 62.85 3f2h s PRO 49 Cb -0.10 -1.93 0.44 0.00 0.02 0.00 0.00 34.50 32.92 3f2h s PRO 49 CO 0.15 -1.31 1.87 0.00 -0.33 0.00 0.00 177.00 177.38 3f2h h ALA 50 N 0.34 1.29 -0.94 -1.55 0.00 -1.95 -2.68 119.26 113.77 3f2h h ALA 50 Ca -0.48 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.34 3f2h h ALA 50 Cb 1.27 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 3f2h h ALA 50 CO 0.54 0.53 0.59 1.49 0.00 0.00 0.00 179.25 182.40 3f2h h GLU 51 N 0.86 1.03 0.34 0.00 4.57 -1.99 -1.30 114.58 118.09 3f2h h GLU 51 Ca 0.20 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3f2h h GLU 51 Cb 0.18 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3f2h h GLU 51 CO -0.02 0.68 -0.17 -0.09 -1.18 0.00 0.00 179.01 178.24 3f2h h ARG 52 N 1.06 -0.44 -0.76 1.92 2.43 -1.87 0.33 114.38 117.05 3f2h h ARG 52 Ca 0.41 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.75 3f2h h ARG 52 Cb 0.20 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.76 3f2h h ARG 52 CO -0.18 -0.24 0.33 0.28 -1.51 0.00 0.00 179.97 178.64 3f2h h VAL 53 N -0.55 0.69 -0.38 0.20 2.07 -1.45 -1.95 116.25 114.89 3f2h h VAL 53 Ca -0.05 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3f2h h VAL 53 Cb 0.41 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3f2h h VAL 53 CO 0.08 0.09 -0.05 0.00 0.02 0.00 0.00 177.57 177.71 3f2h h ALA 54 N 1.53 0.51 -0.29 1.67 0.00 -0.94 -2.12 119.26 119.63 3f2h h ALA 54 Ca 0.41 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3f2h h ALA 54 Cb 0.59 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3f2h h ALA 54 CO -0.38 0.33 -0.03 0.00 0.00 0.00 0.00 179.25 179.18 3f2h h ALA 55 N 0.85 0.23 -0.47 0.00 0.00 -0.50 0.60 119.26 119.96 3f2h h ALA 55 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3f2h h ALA 55 Cb 0.54 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3f2h h ALA 55 CO 0.03 -0.43 0.19 0.28 0.00 0.00 0.00 179.25 179.31 3f2h h VAL 56 N 0.05 1.21 -0.27 0.00 2.07 -1.27 -2.46 116.25 115.59 3f2h h VAL 56 Ca 0.14 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 3f2h h VAL 56 Cb 0.19 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3f2h h VAL 56 CO -0.25 0.24 -0.10 -0.07 0.02 0.00 0.00 177.57 177.41 3f2h h LEU 57 N 0.63 0.43 -2.15 2.57 3.38 -1.08 -2.14 115.31 116.94 3f2h h LEU 57 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3f2h h LEU 57 Cb 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3f2h h LEU 57 CO -0.01 0.57 -0.07 -0.08 0.09 0.00 0.00 178.44 178.94 3f2h h GLU 58 N 0.42 0.00 0.00 1.13 4.57 -0.41 -0.69 114.58 119.60 3f2h h GLU 58 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3f2h h GLU 58 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3f2h h GLU 58 CO 0.02 0.07 0.00 1.96 -1.18 0.00 0.00 179.01 179.88 3f2h h GLN 59 N 0.00 0.00 -3.78 1.92 1.08 -1.19 -3.40 115.11 109.74 3f2h h GLN 59 Ca -0.00 0.00 -0.79 0.00 -1.45 0.00 0.00 58.65 56.41 3f2h h GLN 59 Cb 0.22 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.38 3f2h h GLN 59 CO 0.01 0.00 0.12 0.00 -0.95 0.00 0.00 178.83 178.01 3f2h s ALA 60 N -3.22 4.15 -0.54 3.87 0.00 -0.27 -4.91 121.76 120.84 3f2h s ALA 60 Ca 0.08 -3.39 0.25 0.00 0.00 0.00 0.00 51.96 48.89 3f2h s ALA 60 Cb 0.09 -3.49 0.93 0.00 0.00 0.00 0.00 23.12 20.65 3f2h s ALA 60 CO 0.60 -2.26 1.74 0.25 0.00 0.00 0.00 175.76 176.09 3f2h n THR 61 N 3.78 0.75 1.16 0.00 -2.24 -1.26 -2.18 114.28 114.29 3f2h n THR 61 Ca 0.15 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 3f2h n THR 61 Cb 0.46 -0.98 0.30 0.00 -2.10 0.00 0.00 70.33 68.00 3f2h n THR 61 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3f2h n SER 62 N -2.28 1.02 -4.57 3.42 7.64 -1.26 -4.94 113.62 112.64 3f2h n SER 62 Ca 0.03 -0.83 -0.51 0.00 1.01 0.00 0.00 58.87 58.57 3f2h n SER 62 Cb 0.30 0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.78 0.45 -3.72 0.44 -1.04 -0.93 -4.91 114.28 103.79 3f2h n THR 63 Ca 0.10 -0.11 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 3f2h n THR 63 Cb 0.36 -0.74 -0.07 0.00 -1.82 0.00 0.00 70.33 68.06 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 0.02 3.93 0.16 -2.82 2.02 0.16 -4.96 118.70 117.21 3f2h s GLU 64 Ca 0.79 -0.07 0.09 0.00 0.02 0.00 0.00 54.97 55.81 3f2h s GLU 64 Cb -0.94 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 3f2h s GLU 64 CO 0.50 0.48 -0.21 0.71 0.02 0.00 0.00 175.26 176.77 3f2h s TYR 65 N -0.21 1.98 0.33 1.61 2.02 -1.26 -0.61 117.35 121.21 3f2h s TYR 65 Ca 0.13 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3f2h s TYR 65 Cb -0.12 -1.01 0.06 0.00 -0.40 0.00 0.00 41.96 40.50 3f2h s TYR 65 CO 0.03 0.35 0.45 -0.40 -1.57 0.00 0.00 175.55 174.41 3f2h n ASP 66 N 0.48 0.67 0.08 2.29 5.68 -0.32 -4.84 116.55 120.59 3f2h n ASP 66 Ca -0.15 -1.55 0.16 0.00 -0.50 0.00 0.00 54.79 52.76 3f2h n ASP 66 Cb 0.56 -0.29 0.67 0.00 -1.14 0.00 0.00 41.12 40.92 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 -0.42 0.11 2.10 -2.02 0.76 116.57 117.11 3f2h h LYS 67 Ca -0.15 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 3f2h h LYS 67 Cb 0.57 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 3f2h h LYS 67 CO 0.17 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 3f2h n ASP 68 N -4.43 2.82 -0.15 7.07 8.00 -1.26 -4.93 116.55 123.67 3f2h n ASP 68 Ca 0.06 -1.93 -0.02 0.00 0.71 0.00 0.00 54.79 53.61 3f2h n ASP 68 Cb 0.45 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.36 0.55 3.89 0.44 0.00 0.26 -5.02 105.19 106.67 3f2h n GLY 69 Ca 0.18 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.73 6.51 0.05 1.61 0.02 -1.26 -4.79 114.94 114.35 3f2h s ASN 70 Ca 0.00 0.87 -0.31 0.00 -1.02 0.00 0.00 52.86 52.40 3f2h s ASN 70 Cb 0.00 -2.21 -0.07 0.00 0.02 0.00 0.00 41.25 39.00 3f2h s ASN 70 CO 0.00 -0.22 1.37 -0.63 0.02 0.00 0.00 177.10 177.65 3f2h s ILE 71 N -2.09 3.58 0.00 0.60 1.01 0.13 -1.18 121.20 123.26 3f2h s ILE 71 Ca 0.47 1.07 0.00 0.00 0.00 0.00 0.00 60.65 62.18 3f2h s ILE 71 Cb -0.11 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3f2h s ILE 71 CO 0.28 0.04 0.00 2.30 0.00 0.00 0.00 174.94 177.57 3f2h n ILE 72 N 4.28 0.00 -3.70 2.92 -5.35 0.23 -0.67 119.36 117.07 3f2h n ILE 72 Ca 0.12 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 3f2h n ILE 72 Cb 0.43 1.00 -0.12 0.00 -1.74 0.00 0.00 39.64 39.22 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 -0.69 -0.22 -0.49 3.28 0.00 -0.89 -1.44 107.32 106.88 3f2h s GLY 73 Ca 0.00 1.21 0.05 0.00 0.00 0.00 0.00 44.72 45.98 3f2h s GLY 73 CO 0.00 1.61 0.85 2.98 0.00 0.00 0.00 173.10 178.54 3f2h n TYR 74 N 4.52 -3.26 0.00 1.90 9.36 -1.26 -0.66 117.16 127.75 3f2h n TYR 74 Ca -0.20 -1.45 0.00 0.00 3.32 0.00 0.00 57.90 59.57 3f2h n TYR 74 Cb 0.53 1.48 0.00 0.00 -0.63 0.00 0.00 39.34 40.72 3f2h n TYR 74 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3f2h n GLY 75 N 2.29 1.90 3.78 2.98 0.00 -1.26 -4.82 105.19 110.06 3f2h n GLY 75 Ca 0.13 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 4.43 0.05 0.99 2.96 -1.26 -0.70 118.68 125.15 3f2h s LEU 76 Ca 0.00 1.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.94 3f2h s LEU 76 Cb 0.00 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 3f2h s LEU 76 CO 0.00 0.17 0.11 0.28 -1.32 0.00 0.00 176.35 175.59 3f2h s THR 77 N -0.46 0.15 -1.21 3.68 -1.32 0.50 -4.38 115.64 112.60 3f2h s THR 77 Ca 0.28 -1.20 0.23 0.00 -1.21 0.00 0.00 61.69 59.79 3f2h s THR 77 Cb -0.18 -1.09 -0.09 0.00 -1.51 0.00 0.00 72.50 69.64 3f2h s THR 77 CO 0.16 -0.66 1.14 0.18 -2.21 0.00 0.00 174.62 173.22 3f2h n LEU 78 N 0.48 1.00 -4.74 9.08 4.77 -0.52 -1.24 117.00 125.82 3f2h n LEU 78 Ca -0.17 -0.37 -0.37 0.00 -0.03 0.00 0.00 56.01 55.07 3f2h n LEU 78 Cb 0.60 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3f2h n LEU 78 CO 0.23 0.23 0.08 -0.13 -1.33 0.00 0.00 177.39 176.47 3f2h s ARG 79 N -2.89 4.23 0.21 3.23 1.81 -1.26 -4.90 118.95 119.39 3f2h s ARG 79 Ca 0.12 0.29 -0.32 0.00 -1.72 0.00 0.00 55.73 54.10 3f2h s ARG 79 Cb 0.17 -3.40 -0.15 0.00 -0.45 0.00 0.00 34.95 31.13 3f2h s ARG 79 CO 0.75 0.27 1.23 -1.91 -0.68 0.00 0.00 175.30 174.97 3f2h n GLU 80 N 3.35 1.48 -4.36 3.54 2.13 -1.26 -4.77 120.64 120.75 3f2h n GLU 80 Ca -0.10 0.53 -0.22 0.00 0.66 0.00 0.00 57.16 58.03 3f2h n GLU 80 Cb 0.52 -2.07 -0.08 0.00 0.27 0.00 0.00 31.44 30.08 3f2h n GLU 80 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3f2h s THR 81 N -0.23 0.14 -0.94 6.31 -4.23 -1.26 -5.02 115.64 110.39 3f2h s THR 81 Ca 0.70 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.39 3f2h s THR 81 Cb -0.77 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 70.79 3f2h s THR 81 CO 0.52 0.00 1.56 -1.20 -0.54 0.00 0.00 174.62 174.96 3f2h n SER 82 N -1.60 0.08 -4.14 3.99 7.64 -1.26 -4.50 113.62 113.82 3f2h n SER 82 Ca 0.04 0.52 -0.37 0.00 1.01 0.00 0.00 58.87 60.07 3f2h n SER 82 Cb 0.63 -0.54 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 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 -3.03 3.54 -0.03 1.43 2.02 -1.26 -4.34 117.35 115.68 3f2h s TYR 83 Ca 0.08 -2.27 -0.27 0.00 -0.37 0.00 0.00 57.07 54.24 3f2h s TYR 83 Cb 0.11 -3.21 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 3f2h s TYR 83 CO 0.32 -0.96 0.85 0.08 -1.57 0.00 0.00 175.55 174.27 3f2h s VAL 84 N 1.19 4.94 -0.38 0.71 1.01 -0.05 -0.89 120.40 126.94 3f2h s VAL 84 Ca 0.07 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.85 3f2h s VAL 84 Cb -0.23 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.07 3f2h s VAL 84 CO -0.03 0.21 0.17 0.12 0.00 0.00 0.00 175.10 175.56 3f2h s PHE 85 N 0.89 2.07 -0.25 5.22 5.36 0.42 -1.81 117.98 129.88 3f2h s PHE 85 Ca 0.45 -2.23 -0.10 0.00 -0.96 0.00 0.00 56.93 54.10 3f2h s PHE 85 Cb -0.20 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 3f2h s PHE 85 CO 0.24 -0.84 0.14 -1.21 -1.46 0.00 0.00 175.22 172.09 3f2h s GLU 86 N 0.89 3.93 -0.01 10.12 2.02 0.20 -1.63 118.70 134.21 3f2h s GLU 86 Ca 0.14 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.83 3f2h s GLU 86 Cb -0.21 -3.48 -0.06 0.00 0.10 0.00 0.00 34.13 30.48 3f2h s GLU 86 CO -0.10 -0.04 0.07 -0.89 0.02 0.00 0.00 175.26 174.32 3f2h n ILE 87 N 4.56 0.07 0.53 -1.63 2.08 -1.26 -0.31 119.36 123.39 3f2h n ILE 87 Ca -0.15 -0.11 0.02 0.00 0.56 0.00 0.00 62.75 63.07 3f2h n ILE 87 Cb 0.52 0.03 0.13 0.00 -0.75 0.00 0.00 39.64 39.58 3f2h n ILE 87 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3f2h n ASP 89 N -1.78 0.00 -4.77 4.38 8.00 -1.26 -4.84 116.55 116.28 3f2h n ASP 89 Ca -0.02 -0.39 -0.38 0.00 0.71 0.00 0.00 54.79 54.71 3f2h n ASP 89 Cb 0.25 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 3f2h n ASP 89 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3f2h s ARG 90 N -2.00 4.69 -0.51 -1.24 1.81 -1.26 -5.02 118.95 115.41 3f2h s ARG 90 Ca 0.07 1.39 -0.06 0.00 -1.72 0.00 0.00 55.73 55.41 3f2h s ARG 90 Cb 0.03 -2.99 0.13 0.00 -0.45 0.00 0.00 34.95 31.68 3f2h s ARG 90 CO 0.05 0.37 0.36 0.50 -0.68 0.00 0.00 175.30 175.90 3f2h s ARG 91 N -1.71 2.44 0.35 3.54 3.52 -1.26 -4.37 118.95 121.46 3f2h s ARG 91 Ca 0.47 -2.00 0.04 0.00 -0.13 0.00 0.00 55.73 54.11 3f2h s ARG 91 Cb -0.22 -3.83 0.04 0.00 -1.56 0.00 0.00 34.95 29.39 3f2h s ARG 91 CO 0.27 -1.16 0.34 1.28 -0.81 0.00 0.00 175.30 175.22 3f2h n LEU 92 N 4.45 0.00 -4.09 -0.88 4.77 -0.65 -4.97 117.00 115.64 3f2h n LEU 92 Ca -0.01 -1.74 -0.07 0.00 -0.03 0.00 0.00 56.01 54.15 3f2h n LEU 92 Cb 0.41 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 3f2h n LEU 92 CO 0.38 -0.52 -0.33 -0.31 -1.33 0.00 0.00 177.39 175.27 3f2h s TYR 93 N -1.57 0.55 0.19 -1.77 2.02 -0.37 -0.43 117.35 115.96 3f2h s TYR 93 Ca 0.26 -1.07 0.09 0.00 -0.37 0.00 0.00 57.07 55.98 3f2h s TYR 93 Cb -0.02 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 3f2h s TYR 93 CO 0.17 -0.41 -0.18 0.00 -1.57 0.00 0.00 175.55 173.56 3f2h s ALA 94 N -3.94 2.11 0.17 3.71 0.00 -0.07 -0.37 121.76 123.38 3f2h s ALA 94 Ca 0.09 -1.59 0.17 0.00 0.00 0.00 0.00 51.96 50.63 3f2h s ALA 94 Cb 0.08 -0.17 0.56 0.00 0.00 0.00 0.00 23.12 23.59 3f2h s ALA 94 CO -0.08 0.20 1.68 -1.49 0.00 0.00 0.00 175.76 176.07 3f2h h TRP 95 N 2.94 0.00 -2.89 0.00 6.55 -1.24 -3.38 115.95 117.93 3f2h h TRP 95 Ca -0.41 0.00 0.08 0.00 0.95 0.00 0.00 58.89 59.51 3f2h h TRP 95 Cb 1.22 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.46 3f2h h TRP 95 CO 0.71 0.44 0.28 0.00 -1.05 0.00 0.00 178.44 178.82 3f2h h ALA 97 N 2.00 0.75 -0.46 0.00 0.00 -1.70 -2.84 119.26 117.01 3f2h h ALA 97 Ca -0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3f2h h ALA 97 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3f2h h ALA 97 CO 0.24 0.39 0.11 1.25 0.00 0.00 0.00 179.25 181.25 3f2h h LEU 98 N 0.79 0.64 -0.81 0.00 5.85 -1.92 -1.76 115.31 118.10 3f2h h LEU 98 Ca 0.19 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.95 3f2h h LEU 98 Cb 0.25 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 3f2h h LEU 98 CO -0.01 0.63 0.38 0.44 -0.34 0.00 0.00 178.44 179.54 3f2h h ASP 99 N 0.67 0.42 0.44 1.25 3.32 -1.90 -0.90 116.42 119.72 3f2h h ASP 99 Ca 0.15 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3f2h h ASP 99 Cb 0.25 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3f2h h ASP 99 CO -0.00 0.17 -0.21 0.71 -1.72 0.00 0.00 179.24 178.18 3f2h h THR 100 N 0.54 0.79 0.00 0.35 1.35 -1.28 -1.39 112.91 113.27 3f2h h THR 100 Ca 0.45 -0.83 -0.12 0.00 -0.55 0.00 0.00 66.41 65.35 3f2h h THR 100 Cb 0.66 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3f2h h THR 100 CO -0.38 0.21 -0.83 -0.07 -0.25 0.00 0.00 175.52 174.20 3f2h h LEU 101 N 0.00 0.00 0.09 3.87 3.38 -1.11 -3.38 115.31 118.17 3f2h h LEU 101 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.60 3f2h h LEU 101 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3f2h h LEU 101 CO 0.03 0.48 -2.04 -0.38 0.09 0.00 0.00 178.44 176.61 3f2h n ILE 102 N -3.07 1.72 -0.36 1.22 5.41 -0.80 -4.54 119.36 118.94 3f2h n ILE 102 Ca -0.02 -0.60 0.01 0.00 1.00 0.00 0.00 62.75 63.14 3f2h n ILE 102 Cb 0.75 -1.70 0.16 0.00 -0.71 0.00 0.00 39.64 38.14 3f2h n ILE 102 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3f2h h PHE 103 N -0.03 1.20 -0.92 1.39 0.04 -1.43 -3.06 116.94 114.14 3f2h h PHE 103 Ca -0.45 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.45 3f2h h PHE 103 Cb 1.96 -0.40 -0.08 0.00 2.20 0.00 0.00 35.95 39.63 3f2h h PHE 103 CO 0.07 0.69 0.56 -1.35 -0.60 0.00 0.00 178.31 177.68 3f2h h PRO 104 N 1.24 0.90 -0.01 1.51 0.11 -1.79 -0.57 132.00 133.38 3f2h h PRO 104 Ca 0.39 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 3f2h h PRO 104 Cb 0.01 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 3f2h h PRO 104 CO -0.12 0.59 -0.50 0.00 -0.21 0.00 0.00 178.00 177.76 3f2h h ALA 105 N 1.49 1.15 0.00 -0.75 0.00 -1.74 0.18 119.26 119.59 3f2h h ALA 105 Ca 0.45 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3f2h h ALA 105 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3f2h h ALA 105 CO -0.25 0.63 -0.88 -0.07 0.00 0.00 0.00 179.25 178.68 3f2h h LEU 106 N 0.02 0.28 -0.82 0.00 3.38 -1.22 -3.27 115.31 113.68 3f2h h LEU 106 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3f2h h LEU 106 Cb 0.89 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3f2h h LEU 106 CO 0.07 1.03 -0.56 2.30 0.09 0.00 0.00 178.44 181.36 3f2h n ILE 107 N -3.67 0.00 -2.35 1.22 -5.35 -0.36 -4.91 119.36 103.94 3f2h n ILE 107 Ca -0.04 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 3f2h n ILE 107 Cb 0.81 1.21 -0.00 0.00 -1.74 0.00 0.00 39.64 39.92 3f2h n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f2h n GLY 108 N 1.42 -0.19 3.18 3.28 0.00 0.56 -5.01 105.19 108.43 3f2h n GLY 108 Ca 0.08 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.80 0.85 0.15 1.61 1.81 -0.82 -5.00 118.95 112.75 3f2h s ARG 109 Ca 0.03 -1.05 -0.21 0.00 -1.72 0.00 0.00 55.73 52.79 3f2h s ARG 109 Cb -0.02 -0.74 -0.07 0.00 -0.45 0.00 0.00 34.95 33.67 3f2h s ARG 109 CO 0.04 0.15 0.67 0.99 -0.68 0.00 0.00 175.30 176.47 3f2h s THR 110 N -1.73 4.60 -0.02 0.02 2.01 -1.26 -4.42 115.64 114.85 3f2h s THR 110 Ca 0.01 1.34 0.06 0.00 0.31 0.00 0.00 61.69 63.41 3f2h s THR 110 Cb -0.07 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 3f2h s THR 110 CO 0.02 0.43 -0.18 0.00 -0.69 0.00 0.00 174.62 174.19 3f2h s ALA 111 N -1.26 1.53 -0.33 7.40 0.00 0.53 -4.68 121.76 124.95 3f2h s ALA 111 Ca 0.35 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 3f2h s ALA 111 Cb -0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3f2h s ALA 111 CO 0.22 0.37 0.46 1.03 0.00 0.00 0.00 175.76 177.84 3f2h s ARG 112 N -0.42 3.70 -0.06 0.00 0.52 0.57 -0.75 118.95 122.52 3f2h s ARG 112 Ca 0.07 -0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 3f2h s ARG 112 Cb -0.07 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.59 3f2h s ARG 112 CO -0.01 -0.55 -0.09 0.08 0.02 0.00 0.00 175.30 174.76 3f2h s VAL 113 N 2.26 3.53 0.08 3.52 1.01 -0.20 -0.63 120.40 129.97 3f2h s VAL 113 Ca 0.17 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3f2h s VAL 113 Cb -0.16 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3f2h s VAL 113 CO 0.12 0.58 0.29 -0.94 0.00 0.00 0.00 175.10 175.15 3f2h s SER 114 N -0.84 -0.07 0.00 3.32 1.04 -0.75 -1.63 113.70 114.78 3f2h s SER 114 Ca 0.13 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3f2h s SER 114 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3f2h s SER 114 CO 0.02 -0.71 0.00 -0.24 0.98 0.00 0.00 173.24 173.28 3f2h n SER 115 N 0.16 0.00 -4.18 7.02 2.88 -0.64 -0.87 113.62 118.00 3f2h n SER 115 Ca -0.17 -0.47 -0.21 0.00 -1.33 0.00 0.00 58.87 56.69 3f2h n SER 115 Cb 0.61 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.94 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 -4.66 1.39 0.17 0.66 3.76 -1.26 -1.48 115.29 113.87 3f2h s HIS 116 Ca 0.00 -0.37 -0.33 0.00 -0.15 0.00 0.00 55.06 54.20 3f2h s HIS 116 Cb 0.00 -0.81 -0.15 0.00 1.11 0.00 0.00 32.58 32.73 3f2h s HIS 116 CO 0.00 0.06 1.36 0.00 -0.85 0.00 0.00 174.74 175.31 3f2h h ALA 118 N 4.39 1.00 0.00 0.00 0.00 -1.63 0.87 119.26 123.88 3f2h h ALA 118 Ca -0.45 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 3f2h h ALA 118 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3f2h h ALA 118 CO 0.77 0.00 -1.77 0.00 0.00 0.00 0.00 179.25 178.25 3f2h n ALA 119 N -2.02 1.79 0.00 0.00 0.00 -1.26 -4.70 120.51 114.31 3f2h n ALA 119 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3f2h n ALA 119 Cb 0.40 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.84 0.00 -0.89 0.00 -2.24 -1.20 -5.03 114.28 102.08 3f2h n THR 120 Ca -0.17 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3f2h n THR 120 Cb 0.95 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.59 1.17 3.77 3.38 0.00 0.29 -4.96 105.19 109.44 3f2h n GLY 121 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3f2h n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f2h s ALA 122 N -3.83 3.20 0.42 4.61 0.00 -1.26 -4.46 121.76 120.45 3f2h s ALA 122 Ca 0.00 1.33 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 3f2h s ALA 122 Cb 0.00 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3f2h s ALA 122 CO 0.00 -1.02 1.35 -2.14 0.00 0.00 0.00 175.76 173.95 3f2h s PRO 123 N -2.40 3.88 0.02 0.00 0.02 -1.26 0.27 135.00 135.53 3f2h s PRO 123 Ca 0.60 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.88 3f2h s PRO 123 Cb -0.40 -2.73 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 3f2h s PRO 123 CO 0.51 -0.60 -0.05 0.14 -0.33 0.00 0.00 177.00 176.68 3f2h s VAL 124 N -1.24 0.28 0.02 3.83 -7.23 -0.55 -4.59 120.40 110.91 3f2h s VAL 124 Ca 0.58 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.72 3f2h s VAL 124 Cb -0.40 -0.36 0.06 0.00 0.56 0.00 0.00 36.38 36.24 3f2h s VAL 124 CO 0.52 -0.33 0.58 -0.94 -0.31 0.00 0.00 175.10 174.61 3f2h s SER 125 N -1.17 -0.52 0.20 4.85 1.04 0.39 -1.62 113.70 116.86 3f2h s SER 125 Ca -0.10 0.36 -0.23 0.00 0.48 0.00 0.00 55.95 56.46 3f2h s SER 125 Cb -0.08 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.60 3f2h s SER 125 CO -0.00 -0.69 0.78 -1.48 0.98 0.00 0.00 173.24 172.83 3f2h s LEU 126 N -1.71 -0.30 -0.12 2.42 0.05 -0.64 -0.40 118.68 117.98 3f2h s LEU 126 Ca -0.07 -0.38 -0.01 0.00 0.05 0.00 0.00 54.13 53.71 3f2h s LEU 126 Cb -0.01 2.48 -0.02 0.00 -2.05 0.00 0.00 46.19 46.59 3f2h s LEU 126 CO 0.02 -1.09 -0.09 -0.89 -0.55 0.00 0.00 176.35 173.76 3f2h s THR 127 N -3.63 3.49 -0.16 5.48 2.01 -0.26 -1.04 115.64 121.53 3f2h s THR 127 Ca 0.09 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3f2h s THR 127 Cb -0.03 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 70.03 3f2h s THR 127 CO 0.01 0.54 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.62 3f2h s VAL 128 N -0.02 1.73 0.55 3.82 1.01 0.07 -0.56 120.40 127.00 3f2h s VAL 128 Ca -0.01 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3f2h s VAL 128 Cb -0.14 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.70 3f2h s VAL 128 CO 0.03 0.47 0.52 -1.54 0.00 0.00 0.00 175.10 174.59 3f2h n SER 129 N 4.72 2.55 0.31 3.32 3.41 -0.23 -0.35 113.62 127.35 3f2h n SER 129 Ca -0.18 -2.77 0.20 0.00 -0.26 0.00 0.00 58.87 55.86 3f2h n SER 129 Cb 0.50 -0.15 0.96 0.00 -0.26 0.00 0.00 64.21 65.25 3f2h n SER 129 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3f2h h PRO 130 N 0.00 0.00 0.00 4.33 0.11 -1.78 -3.32 132.00 131.34 3f2h h PRO 130 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3f2h h PRO 130 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3f2h h PRO 130 CO 0.49 0.01 -0.23 -1.13 -0.21 0.00 0.00 178.00 176.93 3f2h n SER 131 N -3.12 0.79 -3.73 -2.05 3.41 -1.26 -4.59 113.62 103.06 3f2h n SER 131 Ca -0.01 -0.45 -0.06 0.00 -0.26 0.00 0.00 58.87 58.08 3f2h n SER 131 Cb 0.19 1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 65.13 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 -1.30 1.38 0.07 4.33 -1.05 -1.25 -5.14 118.70 115.74 3f2h s GLU 132 Ca 0.00 -0.72 0.05 0.00 -0.15 0.00 0.00 54.97 54.15 3f2h s GLU 132 Cb 0.01 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 3f2h s GLU 132 CO 0.06 -0.63 -0.02 0.96 0.95 0.00 0.00 175.26 176.59 3f2h s ILE 133 N -3.54 3.93 0.26 1.83 -4.36 -1.26 -1.07 121.20 116.99 3f2h s ILE 133 Ca 0.10 -0.95 -0.00 0.00 -0.26 0.00 0.00 60.65 59.53 3f2h s ILE 133 Cb -0.03 -2.84 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 3f2h s ILE 133 CO 0.01 0.17 0.26 -1.10 0.24 0.00 0.00 174.94 174.53 3f2h s GLN 134 N -2.13 1.51 -1.72 0.37 -0.21 0.27 -4.90 119.66 112.85 3f2h s GLN 134 Ca 0.24 -1.72 -0.16 0.00 0.02 0.00 0.00 55.36 53.74 3f2h s GLN 134 Cb -0.12 0.33 0.15 0.00 1.00 0.00 0.00 33.01 34.38 3f2h s GLN 134 CO 0.16 -0.55 0.53 0.00 -2.12 0.00 0.00 175.29 173.31 3f2h n ALA 135 N -0.43 -1.45 -1.97 6.09 0.00 -1.26 -1.10 120.51 120.40 3f2h n ALA 135 Ca 0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 3f2h n ALA 135 Cb 0.64 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 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 -3.54 3.42 -0.14 0.00 1.01 -1.26 -4.01 120.40 115.88 3f2h s VAL 136 Ca 0.58 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 3f2h s VAL 136 Cb -0.33 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.47 3f2h s VAL 136 CO 0.98 -0.43 -0.05 -0.70 0.00 0.00 0.00 175.10 174.89 3f2h s GLU 137 N 5.94 1.38 0.64 2.72 2.56 0.46 -2.46 118.70 129.94 3f2h s GLU 137 Ca 0.80 -0.38 -0.13 0.00 0.00 0.00 0.00 54.97 55.26 3f2h s GLU 137 Cb -0.22 -1.80 -0.02 0.00 2.00 0.00 0.00 34.13 34.09 3f2h s GLU 137 CO 0.32 -0.38 1.05 -2.14 -0.56 0.00 0.00 175.26 173.55 3f2h s PRO 138 N 1.69 3.22 0.37 4.30 0.02 -1.26 -0.46 135.00 142.88 3f2h s PRO 138 Ca 0.02 0.99 0.11 0.00 0.02 0.00 0.00 61.00 62.15 3f2h s PRO 138 Cb -0.14 -2.03 0.88 0.00 0.02 0.00 0.00 34.50 33.23 3f2h s PRO 138 CO -0.08 -0.87 1.88 0.00 -0.33 0.00 0.00 177.00 177.60 3f2h h ALA 139 N -0.20 1.91 -0.21 -1.55 0.00 -1.81 -1.79 119.26 115.61 3f2h h ALA 139 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3f2h h ALA 139 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3f2h h ALA 139 CO 0.58 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.09 3f2h n GLY 140 N -1.45 1.35 3.57 0.00 0.00 -1.26 -4.96 105.19 102.43 3f2h n GLY 140 Ca 0.17 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 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 0.21 1.18 -4.47 1.61 1.56 -0.68 -3.24 117.12 113.30 3f2h n MET 141 Ca 0.09 0.42 -0.22 0.00 -0.27 0.00 0.00 57.70 57.71 3f2h n MET 141 Cb 0.44 -1.75 -0.11 0.00 2.15 0.00 0.00 33.22 33.95 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 -1.07 2.45 -0.00 -5.12 0.00 0.26 -1.75 121.76 116.53 3f2h s ALA 142 Ca 0.59 -2.06 0.01 0.00 0.00 0.00 0.00 51.96 50.50 3f2h s ALA 142 Cb -0.72 0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 3f2h s ALA 142 CO 0.59 -0.24 -0.02 0.08 0.00 0.00 0.00 175.76 176.17 3f2h s VAL 143 N -3.17 0.20 -0.01 0.00 1.01 0.17 -0.65 120.40 117.95 3f2h s VAL 143 Ca 0.35 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 3f2h s VAL 143 Cb 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 3f2h s VAL 143 CO 0.15 0.06 0.25 -0.94 0.00 0.00 0.00 175.10 174.62 3f2h s SER 144 N -0.01 6.49 0.04 3.32 1.04 -0.90 -1.08 113.70 122.61 3f2h s SER 144 Ca 0.00 0.55 0.06 0.00 0.48 0.00 0.00 55.95 57.05 3f2h s SER 144 Cb -0.02 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 3f2h s SER 144 CO -0.00 0.28 -0.16 -0.76 0.98 0.00 0.00 173.24 173.57 3f2h s LEU 145 N -1.63 2.18 0.28 2.42 1.43 0.54 -3.83 118.68 120.07 3f2h s LEU 145 Ca 0.25 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 3f2h s LEU 145 Cb -0.13 -0.73 -0.06 0.00 0.03 0.00 0.00 46.19 45.30 3f2h s LEU 145 CO 0.14 0.07 -0.06 0.68 0.23 0.00 0.00 176.35 177.42 3f2h s VAL 146 N -0.87 1.65 -0.23 -1.59 -7.23 -1.26 -0.11 120.40 110.76 3f2h s VAL 146 Ca 0.04 -2.12 -0.28 0.00 -1.81 0.00 0.00 61.98 57.80 3f2h s VAL 146 Cb -0.08 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.41 3f2h s VAL 146 CO 0.02 -0.29 1.01 -0.22 -0.31 0.00 0.00 175.10 175.31 3f2h s LEU 147 N -3.45 4.09 0.27 1.32 2.96 0.64 -4.95 118.68 119.57 3f2h s LEU 147 Ca 0.30 1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 55.23 3f2h s LEU 147 Cb 0.04 -3.49 -0.13 0.00 0.50 0.00 0.00 46.19 43.10 3f2h s LEU 147 CO 0.12 -0.66 1.28 -2.65 -1.32 0.00 0.00 176.35 173.12 3f2h n PRO 148 N 6.29 1.86 -3.25 0.98 -0.02 -1.26 -4.85 135.00 134.76 3f2h n PRO 148 Ca 0.11 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.86 3f2h n PRO 148 Cb 0.46 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.06 4.25 0.17 -0.52 -0.21 -1.26 -4.90 119.66 116.12 3f2h s GLN 149 Ca 0.63 0.46 -0.20 0.00 0.02 0.00 0.00 55.36 56.27 3f2h s GLN 149 Cb -0.65 -3.52 0.10 0.00 1.00 0.00 0.00 33.01 29.94 3f2h s GLN 149 CO 0.56 -0.05 1.63 0.93 -2.12 0.00 0.00 175.29 176.23 3f2h h GLU 150 N 7.20 -0.14 -0.14 2.91 5.08 -1.92 -2.65 114.58 124.91 3f2h h GLU 150 Ca -0.36 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3f2h h GLU 150 Cb 1.16 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3f2h h GLU 150 CO 0.75 -0.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 3f2h n ALA 151 N -2.90 2.44 -1.84 3.43 0.00 -1.26 -4.50 120.51 115.89 3f2h n ALA 151 Ca 0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 3f2h n ALA 151 Cb 0.30 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.70 2.81 -0.10 0.00 0.00 -1.00 -4.96 121.76 116.82 3f2h s ALA 152 Ca 0.29 -0.32 -0.34 0.00 0.00 0.00 0.00 51.96 51.58 3f2h s ALA 152 Cb 0.19 -3.04 -0.12 0.00 0.00 0.00 0.00 23.12 20.16 3f2h s ALA 152 CO 0.28 -1.21 1.88 -3.47 0.00 0.00 0.00 175.76 173.24 3f2h n ASP 153 N -3.06 3.43 0.04 0.00 2.03 -1.26 -4.86 116.55 112.86 3f2h n ASP 153 Ca 0.07 0.97 -0.06 0.00 0.52 0.00 0.00 54.79 56.30 3f2h n ASP 153 Cb 0.57 -1.36 0.13 0.00 -0.72 0.00 0.00 41.12 39.74 3f2h n ASP 153 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3f2h h VAL 154 N 5.47 1.32 -0.26 5.18 3.04 -1.93 -0.96 116.25 128.11 3f2h h VAL 154 Ca -0.48 -1.67 -0.15 0.00 -1.01 0.00 0.00 66.70 63.38 3f2h h VAL 154 Cb 1.27 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 32.26 3f2h h VAL 154 CO 0.95 0.51 -0.45 -0.09 -1.01 0.00 0.00 177.57 177.48 3f2h h ARG 155 N 0.33 0.67 0.14 4.17 2.43 -1.95 -0.83 114.38 119.35 3f2h h ARG 155 Ca 0.02 -0.37 -0.23 0.00 -0.81 0.00 0.00 59.98 58.59 3f2h h ARG 155 Cb 0.95 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3f2h h ARG 155 CO 0.08 0.98 -1.06 0.37 -1.51 0.00 0.00 179.97 178.84 3f2h h GLN 156 N 0.54 0.30 0.00 0.20 5.75 -1.94 0.18 115.11 120.14 3f2h h GLN 156 Ca 0.03 -0.52 -0.14 0.00 -0.15 0.00 0.00 58.65 57.88 3f2h h GLN 156 Cb 1.00 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 3f2h h GLN 156 CO 0.09 1.25 -0.64 0.66 -2.65 0.00 0.00 178.83 177.54 3f2h h SER 157 N -0.31 0.00 0.00 -0.69 4.64 -1.24 -3.39 113.55 112.57 3f2h h SER 157 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3f2h h SER 157 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3f2h h SER 157 CO 0.13 0.64 -0.03 0.33 -0.87 0.00 0.00 176.83 177.04 3f2h n PHE 158 N -3.34 0.00 -0.22 4.77 7.35 -0.43 -4.74 117.46 120.84 3f2h n PHE 158 Ca 0.01 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.68 3f2h n PHE 158 Cb 0.76 -0.01 0.10 0.00 0.35 0.00 0.00 39.48 40.67 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 -4.83 0.00 -0.67 0.00 3.41 0.04 -2.00 113.62 109.56 3f2h n SER 160 Ca 0.08 0.39 0.06 0.00 -0.26 0.00 0.00 58.87 59.14 3f2h n SER 160 Cb 0.19 -0.43 0.17 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.43 0.52 -3.87 7.33 8.25 -0.30 -4.89 115.22 120.82 3f2h n HIS 161 Ca 0.03 -0.54 -0.33 0.00 -0.26 0.00 0.00 57.72 56.62 3f2h n HIS 161 Cb 0.09 -0.06 -0.13 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.22 2.95 0.34 1.59 1.01 -0.85 -4.51 120.40 119.71 3f2h s VAL 162 Ca 0.25 -2.98 0.08 0.00 0.00 0.00 0.00 61.98 59.33 3f2h s VAL 162 Cb 0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3f2h s VAL 162 CO 0.15 -0.79 0.11 -1.00 0.00 0.00 0.00 175.10 173.57 3f2h s HIS 163 N 0.05 2.67 0.22 5.22 3.76 -1.25 -1.97 115.29 123.99 3f2h s HIS 163 Ca 0.15 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.55 3f2h s HIS 163 Cb -0.23 -1.61 -0.07 0.00 1.11 0.00 0.00 32.58 31.78 3f2h s HIS 163 CO -0.02 0.37 0.57 -0.06 -0.85 0.00 0.00 174.74 174.75 3f2h s PHE 164 N -2.45 3.47 0.06 1.40 0.08 -1.26 -2.11 117.98 117.17 3f2h s PHE 164 Ca 0.37 0.97 0.03 0.00 0.12 0.00 0.00 56.93 58.42 3f2h s PHE 164 Cb -0.02 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3f2h s PHE 164 CO 0.22 0.29 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.48 3f2h s PHE 165 N -1.74 0.84 0.41 0.36 0.08 0.18 -1.57 117.98 116.54 3f2h s PHE 165 Ca 0.46 -0.55 0.21 0.00 0.12 0.00 0.00 56.93 57.17 3f2h s PHE 165 Cb -0.12 -0.48 1.19 0.00 -0.57 0.00 0.00 43.02 43.03 3f2h s PHE 165 CO 0.20 -0.05 2.00 0.00 -0.10 0.00 0.00 175.22 177.27 3f2h h ALA 166 N 4.21 1.40 -2.80 5.36 0.00 -1.90 0.75 119.26 126.29 3f2h h ALA 166 Ca -0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3f2h h ALA 166 Cb 1.20 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3f2h h ALA 166 CO 0.44 0.23 0.13 -1.54 0.00 0.00 0.00 179.25 178.51 3f2h s SER 167 N -6.51 -0.49 0.11 0.00 1.04 -1.26 -3.58 113.70 103.01 3f2h s SER 167 Ca -0.03 0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.26 3f2h s SER 167 Cb 0.14 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.77 3f2h s SER 167 CO 0.64 -0.88 1.56 0.58 0.98 0.00 0.00 173.24 176.12 3f2h h VAL 168 N 2.27 1.25 -0.30 5.02 2.07 -1.86 0.11 116.25 124.81 3f2h h VAL 168 Ca -0.33 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 3f2h h VAL 168 Cb 1.27 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3f2h h VAL 168 CO 0.40 0.31 0.10 -0.65 0.02 0.00 0.00 177.57 177.75 3f2h h PRO 169 N 0.39 0.47 -0.59 1.57 0.11 -1.97 0.14 132.00 132.11 3f2h h PRO 169 Ca 0.10 -0.10 0.08 0.00 0.11 0.00 0.00 66.00 66.19 3f2h h PRO 169 Cb 0.43 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.40 3f2h h PRO 169 CO 0.01 0.51 0.24 1.15 -0.21 0.00 0.00 178.00 179.70 3f2h h THR 170 N 0.34 0.81 -0.66 -1.15 2.02 -1.95 0.17 112.91 112.49 3f2h h THR 170 Ca 0.10 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3f2h h THR 170 Cb 0.23 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3f2h h THR 170 CO -0.00 0.08 0.39 0.00 0.37 0.00 0.00 175.52 176.35 3f2h h ALA 171 N 1.39 0.84 -0.49 6.16 0.00 -0.48 -2.24 119.26 124.44 3f2h h ALA 171 Ca 0.29 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3f2h h ALA 171 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3f2h h ALA 171 CO -0.28 0.33 -0.08 0.93 0.00 0.00 0.00 179.25 180.15 3f2h h GLU 172 N 0.89 0.88 -0.77 0.00 5.08 0.37 0.20 114.58 121.22 3f2h h GLU 172 Ca 0.23 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3f2h h GLU 172 Cb -0.01 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 3f2h h GLU 172 CO -0.04 0.92 0.47 0.22 -1.00 0.00 0.00 179.01 179.59 3f2h h ASP 173 N 0.80 0.75 -0.14 1.42 3.58 -0.59 -1.24 116.42 121.00 3f2h h ASP 173 Ca 0.14 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 3f2h h ASP 173 Cb 0.59 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3f2h h ASP 173 CO 0.04 0.50 0.01 -0.25 -2.88 0.00 0.00 179.24 176.65 3f2h h TRP 174 N 0.89 0.26 -0.47 0.28 7.01 -0.77 -2.94 115.95 120.21 3f2h h TRP 174 Ca 0.33 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.31 3f2h h TRP 174 Cb 0.11 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 3f2h h TRP 174 CO -0.04 0.45 0.31 0.00 -2.79 0.00 0.00 178.44 176.37 3f2h h ALA 175 N 0.78 1.77 0.00 2.65 0.00 -0.81 -1.71 119.26 121.94 3f2h h ALA 175 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3f2h h ALA 175 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3f2h h ALA 175 CO 0.01 0.18 -0.03 0.66 0.00 0.00 0.00 179.25 180.06 3f2h h SER 176 N 0.54 0.00 0.17 0.00 4.64 -1.04 -0.22 113.55 117.64 3f2h h SER 176 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3f2h h SER 176 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3f2h h SER 176 CO -0.05 0.03 -0.21 0.29 -0.87 0.00 0.00 176.83 176.03 3f2h n LYS 177 N -4.12 1.04 -3.32 4.77 5.02 -0.65 -4.63 118.16 116.26 3f2h n LYS 177 Ca -0.03 -0.62 -0.32 0.00 -2.02 0.00 0.00 58.31 55.32 3f2h n LYS 177 Cb 0.12 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.44 3.29 -1.66 2.13 8.25 -0.10 -5.04 115.22 121.65 3f2h n HIS 178 Ca 0.14 -3.73 -0.29 0.00 -0.26 0.00 0.00 57.72 53.57 3f2h n HIS 178 Cb 0.36 -0.76 0.12 0.00 1.12 0.00 0.00 29.99 30.82 3f2h n HIS 178 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3f2h s GLN 179 N -2.53 1.48 0.00 -0.41 1.03 -1.26 -3.98 119.66 113.99 3f2h s GLN 179 Ca 0.37 0.25 0.00 0.00 0.04 0.00 0.00 55.36 56.02 3f2h s GLN 179 Cb 0.11 -1.88 0.00 0.00 0.03 0.00 0.00 33.01 31.27 3f2h s GLN 179 CO 0.02 -1.95 0.00 0.41 -2.54 0.00 0.00 175.29 171.22 3f2h n GLY 180 N -2.58 3.27 3.65 2.60 0.00 -1.26 -5.02 105.19 105.85 3f2h n GLY 180 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 4.10 -0.06 0.99 1.02 -1.26 -5.00 118.68 118.47 3f2h s LEU 181 Ca 0.00 1.01 -0.30 0.00 0.02 0.00 0.00 54.13 54.86 3f2h s LEU 181 Cb 0.00 -3.14 -0.05 0.00 0.02 0.00 0.00 46.19 43.02 3f2h s LEU 181 CO 0.00 -0.46 1.61 -0.70 0.02 0.00 0.00 176.35 176.82 3f2h s GLU 182 N 2.62 4.19 -1.11 1.70 2.56 -1.26 -3.17 118.70 124.23 3f2h s GLU 182 Ca 0.34 2.14 0.00 0.00 0.00 0.00 0.00 54.97 57.45 3f2h s GLU 182 Cb -0.16 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 32.03 3f2h s GLU 182 CO 0.08 -0.82 0.00 0.41 -0.56 0.00 0.00 175.26 174.37 3f2h n GLY 183 N 4.07 -0.10 3.71 -1.50 0.00 -1.26 -0.26 105.19 109.85 3f2h n GLY 183 Ca 0.17 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3f2h n GLY 183 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3f2h n LEU 184 N -1.82 3.88 -3.88 0.99 7.94 -1.19 -4.02 117.00 118.90 3f2h n LEU 184 Ca -0.15 1.05 -0.11 0.00 -1.11 0.00 0.00 56.01 55.69 3f2h n LEU 184 Cb 0.61 -1.55 -0.11 0.00 0.53 0.00 0.00 43.42 42.90 3f2h n LEU 184 CO 0.18 0.12 -0.23 0.00 -1.11 0.00 0.00 177.39 176.35 3f2h s ALA 185 N 1.41 -0.23 -0.14 1.96 0.00 0.85 -4.98 121.76 120.63 3f2h s ALA 185 Ca 0.77 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 3f2h s ALA 185 Cb -0.53 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3f2h s ALA 185 CO 0.34 -0.15 -0.07 0.42 0.00 0.00 0.00 175.76 176.30 3f2h s ILE 186 N -0.92 3.57 0.25 0.00 -1.09 -1.26 -0.34 121.20 121.40 3f2h s ILE 186 Ca -0.10 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 57.88 3f2h s ILE 186 Cb -0.06 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.23 3f2h s ILE 186 CO 0.01 0.51 0.01 0.68 -1.23 0.00 0.00 174.94 174.91 3f2h s VAL 187 N 0.30 1.08 0.62 2.92 -7.23 -0.24 -4.99 120.40 112.86 3f2h s VAL 187 Ca -0.06 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 3f2h s VAL 187 Cb -0.15 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 3f2h s VAL 187 CO 0.04 -0.26 1.09 -0.94 -0.31 0.00 0.00 175.10 174.72 3f2h s SER 188 N -3.34 5.43 0.49 4.85 1.04 -1.26 -0.66 113.70 120.25 3f2h s SER 188 Ca 0.30 1.94 0.17 0.00 0.48 0.00 0.00 55.95 58.84 3f2h s SER 188 Cb 0.06 -2.55 1.21 0.00 0.10 0.00 0.00 66.02 64.84 3f2h s SER 188 CO 0.10 -1.41 2.06 1.62 0.98 0.00 0.00 173.24 176.60 3f2h h VAL 189 N 0.29 0.92 -0.43 5.02 3.04 -1.62 -0.46 116.25 123.01 3f2h h VAL 189 Ca -0.47 -0.05 -0.14 0.00 -1.01 0.00 0.00 66.70 65.03 3f2h h VAL 189 Cb 1.24 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 3f2h h VAL 189 CO 0.56 0.03 -0.28 0.45 -1.01 0.00 0.00 177.57 177.32 3f2h h HIS 190 N 0.15 1.07 -0.65 3.17 3.86 -1.91 -0.89 115.15 119.95 3f2h h HIS 190 Ca 0.14 -0.28 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 3f2h h HIS 190 Cb 0.37 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3f2h h HIS 190 CO -0.00 1.08 0.08 1.49 0.86 0.00 0.00 177.93 181.44 3f2h h GLU 191 N 0.78 1.09 -0.84 2.45 4.81 -1.66 -1.97 114.58 119.24 3f2h h GLU 191 Ca 0.09 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3f2h h GLU 191 Cb 0.85 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 3f2h h GLU 191 CO 0.07 1.01 0.40 0.00 -0.73 0.00 0.00 179.01 179.77 3f2h h ALA 192 N 1.03 1.12 -0.52 2.92 0.00 -0.91 -1.02 119.26 121.88 3f2h h ALA 192 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3f2h h ALA 192 Cb 0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3f2h h ALA 192 CO 0.02 0.66 0.04 0.35 0.00 0.00 0.00 179.25 180.32 3f2h h PHE 193 N 1.20 0.89 -0.77 0.00 3.57 -0.90 -1.43 116.94 119.50 3f2h h PHE 193 Ca 0.29 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3f2h h PHE 193 Cb 0.12 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3f2h h PHE 193 CO 0.02 0.79 0.27 0.78 -2.23 0.00 0.00 178.31 177.93 3f2h h GLY 194 N 0.98 1.26 0.97 2.40 0.00 -0.88 -1.03 103.07 106.78 3f2h h GLY 194 Ca 0.16 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.77 3f2h h GLY 194 CO 0.01 0.68 0.42 -2.00 0.00 0.00 0.00 176.54 175.65 3f2h h LEU 195 N 1.13 0.71 -1.09 3.11 5.85 -0.85 -1.65 115.31 122.53 3f2h h LEU 195 Ca 0.25 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3f2h h LEU 195 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3f2h h LEU 195 CO -0.01 0.51 -0.10 1.23 -0.34 0.00 0.00 178.44 179.73 3f2h h GLY 196 N 0.85 0.57 0.81 3.75 0.00 -0.78 -0.13 103.07 108.13 3f2h h GLY 196 Ca 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3f2h h GLY 196 CO -0.07 0.36 0.03 1.46 0.00 0.00 0.00 176.54 178.32 3f2h h GLN 197 N 0.49 0.21 -0.24 4.80 4.20 -0.73 -1.22 115.11 122.62 3f2h h GLN 197 Ca 0.09 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3f2h h GLN 197 Cb 0.47 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3f2h h GLN 197 CO 0.03 0.39 -0.04 0.93 -0.67 0.00 0.00 178.83 179.46 3f2h h GLU 198 N -0.00 0.03 -0.34 1.46 4.39 -0.98 -0.30 114.58 118.84 3f2h h GLU 198 Ca 0.04 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.81 3f2h h GLU 198 Cb 0.27 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.84 3f2h h GLU 198 CO 0.00 0.02 -0.18 0.35 -1.16 0.00 0.00 179.01 178.04 3f2h h PHE 199 N 0.03 -0.44 -0.48 4.33 3.57 -0.89 -2.02 116.94 121.04 3f2h h PHE 199 Ca 0.12 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3f2h h PHE 199 Cb 0.17 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3f2h h PHE 199 CO -0.23 -0.25 0.26 -0.91 -2.23 0.00 0.00 178.31 174.95 3f2h h ASN 200 N -0.12 0.61 -0.79 0.41 2.35 -0.70 0.67 115.58 118.01 3f2h h ASN 200 Ca 0.17 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3f2h h ASN 200 Cb 0.39 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3f2h h ASN 200 CO -0.42 0.53 0.47 0.08 -1.65 0.00 0.00 177.43 176.44 3f2h h ARG 201 N 0.64 1.08 0.24 0.81 0.11 -0.76 0.20 114.38 116.70 3f2h h ARG 201 Ca 0.17 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 3f2h h ARG 201 Cb 0.06 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 30.92 3f2h h ARG 201 CO -0.03 0.77 -0.11 0.45 0.10 0.00 0.00 179.97 181.15 3f2h h HIS 202 N 1.10 -0.29 -0.88 4.08 3.86 -1.16 -3.14 115.15 118.71 3f2h h HIS 202 Ca 0.28 -0.01 0.23 0.00 -1.16 0.00 0.00 60.37 59.72 3f2h h HIS 202 Cb -0.03 0.10 -0.14 0.00 1.06 0.00 0.00 27.41 28.40 3f2h h HIS 202 CO 0.01 0.08 0.23 1.25 0.86 0.00 0.00 177.93 180.35 3f2h h LEU 203 N -0.78 -0.01 -1.16 2.43 5.85 -0.55 -0.33 115.31 120.75 3f2h h LEU 203 Ca -0.03 0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 3f2h h LEU 203 Cb 0.51 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3f2h h LEU 203 CO 0.05 -0.16 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.56 3f2h h LEU 204 N 0.20 0.10 -1.12 2.25 3.38 -1.01 -1.74 115.31 117.38 3f2h h LEU 204 Ca 0.55 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.40 3f2h h LEU 204 Cb 1.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3f2h h LEU 204 CO -0.66 0.46 -0.38 1.56 0.09 0.00 0.00 178.44 179.51 3f2h h GLN 205 N 0.09 0.00 0.00 1.13 4.20 -1.02 -2.69 115.11 116.81 3f2h h GLN 205 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3f2h h GLN 205 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3f2h h GLN 205 CO 0.05 0.38 0.00 0.25 -0.67 0.00 0.00 178.83 178.84 3f2h n THR 206 N -3.74 0.61 -2.99 -0.54 -2.24 -0.67 -4.85 114.28 99.87 3f2h n THR 206 Ca -0.01 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 3f2h n THR 206 Cb 0.46 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.14 4.33 0.00 -0.78 -1.94 -1.02 -4.89 119.30 111.86 3f2h s MET 207 Ca 0.09 1.01 0.26 0.00 -1.71 0.00 0.00 55.69 55.34 3f2h s MET 207 Cb 0.12 -2.76 0.61 0.00 2.01 0.00 0.00 34.83 34.81 3f2h s MET 207 CO 0.51 0.31 1.50 -1.13 -0.01 0.00 0.00 175.02 176.19