#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8m n ASP 2 N 0.00 8.33 -4.75 6.12 8.00 -1.26 -4.87 116.55 128.12 3a8m n ASP 2 Ca 0.00 -2.73 -0.24 0.00 0.71 0.00 0.00 54.79 52.53 3a8m n ASP 2 Cb 0.00 -1.49 0.09 0.00 -0.02 0.00 0.00 41.12 39.70 3a8m n ASP 2 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a8m s GLY 3 N 1.65 1.77 0.40 0.44 0.00 -1.26 -4.97 107.32 105.35 3a8m s GLY 3 Ca 0.65 -1.51 0.29 0.00 0.00 0.00 0.00 44.72 44.15 3a8m s GLY 3 CO -0.07 -1.02 1.86 -0.39 0.00 0.00 0.00 173.10 173.48 3a8m h VAL 4 N -0.45 0.00 0.00 1.40 -1.51 -1.91 -1.67 116.25 112.11 3a8m h VAL 4 Ca -0.39 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3a8m h VAL 4 Cb 1.28 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3a8m h VAL 4 CO 0.45 0.00 0.00 1.12 -1.23 0.00 0.00 177.57 177.91 3a8m h HIS 5 N 0.00 0.00 -1.61 5.19 2.07 -1.93 -3.35 115.15 115.52 3a8m h HIS 5 Ca 0.00 0.00 -0.71 0.00 -2.85 0.00 0.00 60.37 56.81 3a8m h HIS 5 Cb 0.36 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.20 3a8m h HIS 5 CO 0.00 0.00 1.71 0.34 -3.07 0.00 0.00 177.93 176.91 3a8m s ASP 6 N -5.03 6.96 0.18 3.10 -1.08 -0.63 -4.75 116.67 115.41 3a8m s ASP 6 Ca -0.01 -2.74 0.22 0.00 -0.52 0.00 0.00 52.55 49.51 3a8m s ASP 6 Cb 0.10 -2.48 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 3a8m s ASP 6 CO 0.42 -0.94 1.00 0.18 0.52 0.00 0.00 175.17 176.36 3a8m n LEU 7 N 6.85 0.77 -4.67 -1.34 4.77 -1.26 -4.86 117.00 117.27 3a8m n LEU 7 Ca 0.42 0.29 -0.46 0.00 -0.03 0.00 0.00 56.01 56.23 3a8m n LEU 7 Cb 0.44 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 3a8m n LEU 7 CO 0.68 -0.17 1.19 0.00 -1.33 0.00 0.00 177.39 177.77 3a8m n ALA 8 N -2.17 1.24 0.00 -1.18 0.00 -1.26 -1.16 120.51 115.98 3a8m n ALA 8 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3a8m n ALA 8 Cb 0.55 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3a8m n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8m n GLY 9 N 3.42 1.78 3.77 0.00 0.00 -1.26 -4.76 105.19 108.14 3a8m n GLY 9 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3a8m n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8m s VAL 10 N -2.55 2.25 0.10 1.61 1.01 -0.31 -5.00 120.40 117.51 3a8m s VAL 10 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3a8m s VAL 10 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3a8m s VAL 10 CO 0.00 0.05 0.01 -1.10 0.00 0.00 0.00 175.10 174.06 3a8m s GLN 11 N -1.48 2.58 0.00 2.72 -0.21 -1.26 -4.68 119.66 117.34 3a8m s GLN 11 Ca 0.55 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 55.08 3a8m s GLN 11 Cb -0.45 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.02 3a8m s GLN 11 CO 0.56 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.67 3a8m n GLY 12 N 0.43 1.71 3.78 3.09 0.00 -1.26 -5.11 105.19 107.83 3a8m n GLY 12 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3a8m n GLY 12 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a8m s PHE 13 N -2.08 2.78 0.00 1.61 0.08 -1.26 -5.07 117.98 114.05 3a8m s PHE 13 Ca 0.00 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.60 3a8m s PHE 13 Cb 0.00 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 3a8m s PHE 13 CO 0.00 -1.34 0.00 0.41 -0.10 0.00 0.00 175.22 174.19 3a8m n GLY 14 N -0.15 0.63 3.77 4.36 0.00 -1.26 -5.04 105.19 107.49 3a8m n GLY 14 Ca 0.11 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 3a8m n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a8m s LYS 15 N 1.14 3.87 0.21 1.61 1.02 -1.26 -4.97 119.74 121.36 3a8m s LYS 15 Ca 0.00 2.20 -0.31 0.00 0.02 0.00 0.00 55.97 57.88 3a8m s LYS 15 Cb 0.00 -2.70 -0.10 0.00 -0.52 0.00 0.00 37.83 34.50 3a8m s LYS 15 CO 0.00 -0.59 1.56 0.08 -0.92 0.00 0.00 175.35 175.48 3a8m s VAL 16 N -1.26 2.46 -1.45 3.17 1.01 -1.26 -4.88 120.40 118.20 3a8m s VAL 16 Ca 0.59 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.80 3a8m s VAL 16 Cb -0.39 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 32.81 3a8m s VAL 16 CO 0.50 0.04 2.28 -0.81 0.00 0.00 0.00 175.10 177.10 3a8m n PRO 17 N 3.25 3.18 -3.61 2.72 -0.04 -1.26 -4.78 135.00 134.45 3a8m n PRO 17 Ca 0.11 -2.75 -0.10 0.00 -0.04 0.00 0.00 63.50 60.73 3a8m n PRO 17 Cb 0.38 -3.13 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 3a8m n PRO 17 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3a8m s HIS 18 N 2.37 -0.45 0.14 0.54 5.04 -1.26 -5.15 115.29 116.52 3a8m s HIS 18 Ca 0.49 0.98 0.10 0.00 -1.54 0.00 0.00 55.06 55.09 3a8m s HIS 18 Cb 0.14 0.39 -0.04 0.00 0.04 0.00 0.00 32.58 33.11 3a8m s HIS 18 CO -0.07 -0.28 -0.20 0.95 -2.34 0.00 0.00 174.74 172.80 3a8m s THR 19 N -0.27 2.68 0.33 0.89 -4.23 -1.26 -5.08 115.64 108.70 3a8m s THR 19 Ca 0.01 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 58.58 3a8m s THR 19 Cb -0.03 -2.24 -0.11 0.00 1.34 0.00 0.00 72.50 71.46 3a8m s THR 19 CO -0.03 0.05 1.52 0.68 -0.54 0.00 0.00 174.62 176.30 3a8m s VAL 20 N -1.25 2.13 -0.95 2.29 -7.23 -1.26 -1.43 120.40 112.69 3a8m s VAL 20 Ca 0.18 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 3a8m s VAL 20 Cb -0.10 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.77 3a8m s VAL 20 CO 0.10 0.02 0.00 0.59 -0.31 0.00 0.00 175.10 175.50 3a8m n ASN 21 N 1.29 -5.22 -4.74 4.85 5.03 -1.26 -4.99 115.26 110.22 3a8m n ASN 21 Ca 0.04 0.22 -0.33 0.00 0.87 0.00 0.00 54.58 55.39 3a8m n ASN 21 Cb 0.39 -3.51 0.08 0.00 -1.02 0.00 0.00 39.78 35.72 3a8m n ASN 21 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a8m s ALA 22 N -1.95 2.21 -0.01 5.41 0.00 -0.51 -4.92 121.76 121.97 3a8m s ALA 22 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 3a8m s ALA 22 Cb 0.00 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3a8m s ALA 22 CO 0.00 -1.72 1.89 0.34 0.00 0.00 0.00 175.76 176.27 3a8m s ASP 23 N -2.55 6.45 0.00 0.00 2.15 -1.26 -4.88 116.67 116.58 3a8m s ASP 23 Ca 0.68 2.47 0.23 0.00 0.43 0.00 0.00 52.55 56.37 3a8m s ASP 23 Cb -0.23 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.42 3a8m s ASP 23 CO 0.47 -1.08 1.46 2.30 -0.17 0.00 0.00 175.17 178.15 3a8m n ILE 24 N 5.69 0.26 -4.18 4.11 -5.35 -1.26 -5.07 119.36 113.56 3a8m n ILE 24 Ca 0.20 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3a8m n ILE 24 Cb 0.42 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 3a8m n ILE 24 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a8m n GLY 25 N 1.32 -1.49 3.75 3.28 0.00 -1.26 -4.88 105.19 105.91 3a8m n GLY 25 Ca 0.17 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 3a8m n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a8m s PRO 26 N 0.00 1.83 0.19 1.61 0.04 -1.26 -4.95 135.00 132.46 3a8m s PRO 26 Ca 0.00 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 3a8m s PRO 26 Cb 0.00 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.88 3a8m s PRO 26 CO 0.00 -1.88 1.76 1.15 0.04 0.00 0.00 177.00 178.08 3a8m h THR 27 N -1.29 0.86 -3.39 1.26 2.02 -2.03 -3.39 112.91 106.94 3a8m h THR 27 Ca -0.47 -0.15 -0.66 0.00 0.77 0.00 0.00 66.41 65.90 3a8m h THR 27 Cb 1.26 0.38 -0.27 0.00 -1.74 0.00 0.00 68.15 67.77 3a8m h THR 27 CO 0.54 0.08 -0.78 -0.36 0.37 0.00 0.00 175.52 175.38 3a8m s PHE 28 N -6.11 2.78 -2.67 3.16 0.08 -1.26 -5.01 117.98 108.95 3a8m s PHE 28 Ca -0.13 -0.63 0.24 0.00 0.12 0.00 0.00 56.93 56.52 3a8m s PHE 28 Cb 0.15 -1.81 0.42 0.00 -0.57 0.00 0.00 43.02 41.22 3a8m s PHE 28 CO 0.74 -0.19 1.39 0.72 -0.10 0.00 0.00 175.22 177.78 3a8m n HIS 29 N 3.41 0.23 -3.81 0.36 8.25 -1.26 -4.91 115.22 117.49 3a8m n HIS 29 Ca -0.18 -0.12 -0.11 0.00 -0.26 0.00 0.00 57.72 57.06 3a8m n HIS 29 Cb 0.53 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 3a8m n HIS 29 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a8m s ALA 30 N -1.77 -0.47 -0.85 -1.41 0.00 -1.26 -5.05 121.76 110.94 3a8m s ALA 30 Ca 0.34 -0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.25 3a8m s ALA 30 Cb 0.21 0.34 0.76 0.00 0.00 0.00 0.00 23.12 24.43 3a8m s ALA 30 CO 0.31 -0.41 1.57 0.39 0.00 0.00 0.00 175.76 177.61 3a8m n GLU 31 N 0.49 0.06 0.00 0.00 -0.58 -1.26 -2.20 120.64 117.15 3a8m n GLU 31 Ca -0.18 0.28 0.11 0.00 -0.42 0.00 0.00 57.16 56.95 3a8m n GLU 31 Cb 0.60 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.87 3a8m n GLU 31 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3a8m n TRP 32 N -1.72 0.00 0.28 -0.32 4.27 -1.26 -4.62 117.44 114.08 3a8m n TRP 32 Ca 0.03 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.82 3a8m n TRP 32 Cb 0.20 -0.07 0.71 0.00 -1.36 0.00 0.00 31.31 30.79 3a8m n TRP 32 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 3a8m h GLU 33 N 0.21 0.00 0.00 -2.67 5.08 -1.86 -0.47 114.58 114.88 3a8m h GLU 33 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a8m h GLU 33 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3a8m h GLU 33 CO 0.00 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 175.62 3a8m n HIS 34 N -3.07 0.27 -0.07 4.33 1.44 -1.26 -4.18 115.22 112.68 3a8m n HIS 34 Ca 0.00 0.09 -0.13 0.00 -2.01 0.00 0.00 57.72 55.67 3a8m n HIS 34 Cb 0.29 -0.64 -0.06 0.00 0.12 0.00 0.00 29.99 29.70 3a8m n HIS 34 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3a8m h LEU 35 N 0.00 0.51 -0.57 2.39 3.38 -1.41 -2.42 115.31 117.19 3a8m h LEU 35 Ca 0.00 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3a8m h LEU 35 Cb 0.48 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3a8m h LEU 35 CO 0.00 0.86 0.29 1.55 0.09 0.00 0.00 178.44 181.22 3a8m h PRO 36 N 0.18 0.52 -0.15 1.13 0.13 -1.77 0.81 132.00 132.84 3a8m h PRO 36 Ca 0.04 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 3a8m h PRO 36 Cb 0.69 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 3a8m h PRO 36 CO 0.04 0.34 -0.66 1.88 -0.23 0.00 0.00 178.00 179.38 3a8m h TYR 37 N 0.54 0.77 -0.66 1.56 0.05 -1.82 -0.53 116.97 116.87 3a8m h TYR 37 Ca 0.26 -0.31 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 3a8m h TYR 37 Cb 0.20 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3a8m h TYR 37 CO -0.11 1.08 0.08 0.77 -1.05 0.00 0.00 178.16 178.93 3a8m h SER 38 N 0.43 1.07 0.91 3.88 0.02 -1.07 -0.98 113.55 117.80 3a8m h SER 38 Ca -0.02 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.52 3a8m h SER 38 Cb 1.23 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3a8m h SER 38 CO 0.12 1.08 -0.68 -0.07 -1.14 0.00 0.00 176.83 176.14 3a8m h LEU 39 N 1.03 0.00 -0.39 5.07 3.38 -0.80 -1.30 115.31 122.30 3a8m h LEU 39 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3a8m h LEU 39 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3a8m h LEU 39 CO 0.02 0.68 0.25 -0.03 0.09 0.00 0.00 178.44 179.45 3a8m h MET 40 N 0.00 0.51 -0.31 1.13 4.05 -0.82 -1.07 114.93 118.42 3a8m h MET 40 Ca -0.01 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 3a8m h MET 40 Cb 1.32 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.99 3a8m h MET 40 CO 0.09 0.35 -0.15 0.74 0.23 0.00 0.00 176.91 178.16 3a8m h PHE 41 N 0.52 0.60 -0.46 1.39 0.04 -0.91 0.84 116.94 118.96 3a8m h PHE 41 Ca 0.14 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.87 3a8m h PHE 41 Cb -0.05 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 3a8m h PHE 41 CO -0.05 0.68 0.17 0.00 -0.60 0.00 0.00 178.31 178.51 3a8m h ALA 42 N 1.34 0.56 -0.42 2.45 0.00 -0.96 0.21 119.26 122.44 3a8m h ALA 42 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3a8m h ALA 42 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3a8m h ALA 42 CO 0.04 -0.22 0.19 0.78 0.00 0.00 0.00 179.25 180.04 3a8m h GLY 43 N 0.35 0.66 0.26 0.00 0.00 -0.27 0.22 103.07 104.29 3a8m h GLY 43 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3a8m h GLY 43 CO -0.22 0.32 -0.06 -2.08 0.00 0.00 0.00 176.54 174.51 3a8m h VAL 44 N 0.53 0.83 0.00 4.60 2.07 -0.68 0.15 116.25 123.75 3a8m h VAL 44 Ca 0.14 -1.26 -0.27 0.00 0.82 0.00 0.00 66.70 66.13 3a8m h VAL 44 Cb 0.15 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3a8m h VAL 44 CO -0.01 0.24 -2.05 0.00 0.02 0.00 0.00 177.57 175.76 3a8m n ALA 45 N -2.61 1.77 -0.11 1.67 0.00 0.72 -2.96 120.51 118.99 3a8m n ALA 45 Ca -0.07 -0.99 -0.20 0.00 0.00 0.00 0.00 53.44 52.19 3a8m n ALA 45 Cb 0.26 -0.51 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 3a8m n ALA 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a8m n GLU 46 N -2.75 0.66 0.04 0.00 -0.58 -0.29 -4.59 120.64 113.13 3a8m n GLU 46 Ca -0.22 0.18 0.07 0.00 -0.42 0.00 0.00 57.16 56.77 3a8m n GLU 46 Cb 1.00 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 30.24 3a8m n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3a8m n LEU 47 N -3.40 0.53 -1.63 -4.62 4.77 0.61 -4.97 117.00 108.29 3a8m n LEU 47 Ca -0.45 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 55.59 3a8m n LEU 47 Cb 0.98 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 42.07 3a8m n LEU 47 CO 0.26 -0.01 -0.19 0.61 -1.33 0.00 0.00 177.39 176.73 3a8m n GLY 48 N 1.29 0.32 0.16 -0.72 0.00 -0.54 -4.89 105.19 100.81 3a8m n GLY 48 Ca -0.06 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.80 3a8m n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8m h ALA 49 N 0.52 0.77 -2.63 4.61 0.00 -0.97 -3.48 119.26 118.07 3a8m h ALA 49 Ca -0.36 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.39 3a8m h ALA 49 Cb 1.20 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 3a8m h ALA 49 CO 0.46 0.30 0.36 -0.59 0.00 0.00 0.00 179.25 179.79 3a8m s PHE 50 N -3.13 -0.32 0.38 0.00 -0.12 -1.25 -5.02 117.98 108.53 3a8m s PHE 50 Ca 0.04 0.07 0.02 0.00 -0.05 0.00 0.00 56.93 57.00 3a8m s PHE 50 Cb 0.07 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 3a8m s PHE 50 CO 0.73 -0.82 0.57 -1.54 -0.05 0.00 0.00 175.22 174.11 3a8m s SER 51 N -2.75 6.05 0.31 1.98 1.04 -1.26 -4.10 113.70 114.97 3a8m s SER 51 Ca 0.07 0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 3a8m s SER 51 Cb -0.02 -1.68 0.51 0.00 0.10 0.00 0.00 66.02 64.93 3a8m s SER 51 CO -0.05 -0.47 1.95 0.58 0.98 0.00 0.00 173.24 176.23 3a8m h VAL 52 N 0.66 1.15 -0.94 5.02 2.07 -1.96 -2.16 116.25 120.08 3a8m h VAL 52 Ca -0.48 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 66.75 3a8m h VAL 52 Cb 1.24 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3a8m h VAL 52 CO 0.58 0.19 0.60 0.44 0.02 0.00 0.00 177.57 179.40 3a8m h ASP 53 N 1.05 0.95 -0.09 0.57 3.32 -1.94 -0.08 116.42 120.19 3a8m h ASP 53 Ca 0.33 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 3a8m h ASP 53 Cb 0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3a8m h ASP 53 CO -0.09 0.60 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.68 3a8m h GLU 54 N 1.08 0.30 -0.29 3.56 5.08 -1.55 -1.18 114.58 121.58 3a8m h GLU 54 Ca 0.41 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 3a8m h GLU 54 Cb 0.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3a8m h GLU 54 CO -0.18 0.35 -0.04 0.28 -1.00 0.00 0.00 179.01 178.42 3a8m h VAL 55 N 0.29 1.27 -0.51 3.13 2.07 -0.76 -0.67 116.25 121.07 3a8m h VAL 55 Ca 0.07 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.59 3a8m h VAL 55 Cb 0.24 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3a8m h VAL 55 CO 0.01 0.33 0.30 0.03 0.02 0.00 0.00 177.57 178.25 3a8m h ARG 56 N 0.31 0.57 -0.37 1.57 3.08 -0.78 -2.32 114.38 116.44 3a8m h ARG 56 Ca 0.08 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 3a8m h ARG 56 Cb 0.49 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3a8m h ARG 56 CO 0.02 0.38 -0.28 -0.92 -1.07 0.00 0.00 179.97 178.10 3a8m h TYR 57 N 0.59 0.91 -0.12 3.04 3.20 -1.12 -1.51 116.97 121.95 3a8m h TYR 57 Ca 0.21 -0.23 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 3a8m h TYR 57 Cb 0.04 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3a8m h TYR 57 CO -0.07 0.97 -0.32 -0.24 -1.64 0.00 0.00 178.16 176.86 3a8m h VAL 58 N 0.67 1.27 -0.40 1.81 3.04 -0.89 -1.08 116.25 120.67 3a8m h VAL 58 Ca 0.08 -1.29 -0.07 0.00 -1.01 0.00 0.00 66.70 64.41 3a8m h VAL 58 Cb 0.81 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 3a8m h VAL 58 CO 0.07 0.39 -0.02 0.58 -1.01 0.00 0.00 177.57 177.58 3a8m h VAL 59 N 0.20 1.26 -0.22 1.51 2.07 -1.12 -2.48 116.25 117.48 3a8m h VAL 59 Ca 0.03 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.57 3a8m h VAL 59 Cb 0.68 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3a8m h VAL 59 CO 0.05 0.35 0.18 -0.33 0.02 0.00 0.00 177.57 177.84 3a8m h GLU 60 N 0.54 0.00 -0.01 1.57 5.08 -0.44 -1.78 114.58 119.55 3a8m h GLU 60 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3a8m h GLU 60 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3a8m h GLU 60 CO 0.02 0.00 -0.01 0.54 -1.00 0.00 0.00 179.01 178.56 3a8m n ARG 61 N -4.23 1.19 -1.64 2.33 1.74 -0.49 -4.87 116.66 110.68 3a8m n ARG 61 Ca 0.02 -0.36 -0.40 0.00 -0.77 0.00 0.00 57.85 56.34 3a8m n ARG 61 Cb 0.32 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.29 3a8m n ARG 61 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3a8m n MET 62 N -0.59 1.44 -1.69 5.56 2.81 -0.67 -1.35 117.12 122.62 3a8m n MET 62 Ca 0.21 0.52 -0.42 0.00 -1.81 0.00 0.00 57.70 56.20 3a8m n MET 62 Cb 0.21 -2.20 0.00 0.00 -0.71 0.00 0.00 33.22 30.53 3a8m n MET 62 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3a8m n GLU 63 N -0.20 2.00 -0.21 0.03 0.00 -1.26 -4.67 120.64 116.33 3a8m n GLU 63 Ca 0.10 0.71 -0.06 0.00 0.00 0.00 0.00 57.16 57.90 3a8m n GLU 63 Cb 0.41 -2.32 0.03 0.00 0.00 0.00 0.00 31.44 29.57 3a8m n GLU 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3a8m h PRO 64 N 2.32 0.79 -0.60 5.31 0.11 -1.93 0.69 132.00 138.70 3a8m h PRO 64 Ca -0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3a8m h PRO 64 Cb 1.29 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3a8m h PRO 64 CO 0.61 0.55 0.18 0.00 -0.21 0.00 0.00 178.00 179.13 3a8m h ARG 65 N 0.80 0.91 -0.41 1.05 3.08 -2.00 -1.96 114.38 115.86 3a8m h ARG 65 Ca 0.21 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3a8m h ARG 65 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3a8m h ARG 65 CO -0.04 0.79 0.25 1.25 -1.07 0.00 0.00 179.97 181.15 3a8m h HIS 66 N 0.88 0.54 -0.36 3.04 2.76 -1.53 -2.33 115.15 118.16 3a8m h HIS 66 Ca 0.20 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.43 3a8m h HIS 66 Cb 0.27 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 3a8m h HIS 66 CO 0.02 0.37 0.04 -0.92 -1.30 0.00 0.00 177.93 176.14 3a8m h TYR 67 N 0.54 0.07 0.00 5.26 5.03 -0.66 -2.56 116.97 124.65 3a8m h TYR 67 Ca 0.15 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 3a8m h TYR 67 Cb -0.01 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 3a8m h TYR 67 CO -0.04 -0.01 -0.12 0.52 -1.32 0.00 0.00 178.16 177.19 3a8m h MET 68 N 0.16 0.00 -0.12 1.82 2.86 -0.90 -2.80 114.93 115.95 3a8m h MET 68 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3a8m h MET 68 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3a8m h MET 68 CO -0.25 0.12 0.00 0.00 1.06 0.00 0.00 176.91 177.84 3a8m n MET 69 N -3.40 2.04 -3.81 1.72 0.00 -0.92 -4.96 117.12 107.79 3a8m n MET 69 Ca -0.01 -1.87 -0.36 0.00 0.00 0.00 0.00 57.70 55.47 3a8m n MET 69 Cb 0.30 -1.42 -0.10 0.00 0.00 0.00 0.00 33.22 32.00 3a8m n MET 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3a8m s THR 70 N -1.65 4.99 0.76 3.17 2.01 -0.99 -5.08 115.64 118.85 3a8m s THR 70 Ca 0.27 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 3a8m s THR 70 Cb 0.18 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.44 3a8m s THR 70 CO 0.27 0.39 1.12 -2.65 -0.69 0.00 0.00 174.62 173.06 3a8m n PRO 71 N 4.07 0.39 -0.13 4.92 -0.02 -1.26 -4.74 135.00 138.23 3a8m n PRO 71 Ca -0.16 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.39 3a8m n PRO 71 Cb 0.52 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 3a8m n PRO 71 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3a8m h PHE 72 N -0.53 -1.64 -0.12 6.00 3.57 -1.98 -1.93 116.94 120.30 3a8m h PHE 72 Ca -0.47 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.03 3a8m h PHE 72 Cb 1.31 0.77 -0.01 0.00 2.79 0.00 0.00 35.95 40.81 3a8m h PHE 72 CO 0.43 -0.48 -0.27 1.88 -2.23 0.00 0.00 178.31 177.65 3a8m h TYR 73 N -0.39 0.25 -0.34 0.41 0.05 -1.96 -1.29 116.97 113.70 3a8m h TYR 73 Ca 0.07 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 3a8m h TYR 73 Cb 0.58 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3a8m h TYR 73 CO -0.72 0.48 -0.01 1.49 -1.05 0.00 0.00 178.16 178.35 3a8m h GLU 74 N 0.20 0.52 -0.81 4.88 4.81 -1.75 -1.98 114.58 120.46 3a8m h GLU 74 Ca 0.03 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3a8m h GLU 74 Cb 0.58 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 3a8m h GLU 74 CO 0.04 0.56 0.53 0.00 -0.73 0.00 0.00 179.01 179.41 3a8m h ARG 75 N 0.50 0.85 0.00 1.92 3.08 -0.51 -1.13 114.38 119.09 3a8m h ARG 75 Ca 0.11 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 3a8m h ARG 75 Cb 0.34 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3a8m h ARG 75 CO 0.01 0.56 -0.79 1.88 -1.07 0.00 0.00 179.97 180.57 3a8m h TYR 76 N 0.88 0.00 -0.05 3.04 0.05 -1.35 0.14 116.97 119.68 3a8m h TYR 76 Ca 0.35 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.15 3a8m h TYR 76 Cb 0.24 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3a8m h TYR 76 CO -0.00 0.79 -0.05 0.28 -1.05 0.00 0.00 178.16 178.13 3a8m h VAL 77 N 0.00 0.86 -0.58 -2.88 2.07 -0.85 -0.41 116.25 114.46 3a8m h VAL 77 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3a8m h VAL 77 Cb 1.51 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3a8m h VAL 77 CO 0.10 0.00 0.25 0.40 0.02 0.00 0.00 177.57 178.34 3a8m h ILE 78 N -0.06 1.22 -0.18 4.57 2.04 -1.07 -1.34 117.51 122.69 3a8m h ILE 78 Ca 0.04 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3a8m h ILE 78 Cb 0.12 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3a8m h ILE 78 CO -0.09 0.26 0.05 1.23 0.00 0.00 0.00 178.15 179.59 3a8m h GLY 79 N 0.80 0.30 0.96 5.37 0.00 -0.59 -0.74 103.07 109.16 3a8m h GLY 79 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3a8m h GLY 79 CO -0.02 0.17 0.16 -2.08 0.00 0.00 0.00 176.54 174.78 3a8m h VAL 80 N 0.10 1.21 -0.55 4.60 2.07 -1.06 -1.07 116.25 121.55 3a8m h VAL 80 Ca 0.06 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3a8m h VAL 80 Cb 0.26 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3a8m h VAL 80 CO 0.00 0.25 0.29 0.00 0.02 0.00 0.00 177.57 178.13 3a8m h ALA 81 N 1.01 0.71 -0.38 1.67 0.00 -1.14 -1.13 119.26 120.01 3a8m h ALA 81 Ca 0.15 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3a8m h ALA 81 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3a8m h ALA 81 CO -0.01 -0.04 0.19 1.15 0.00 0.00 0.00 179.25 180.54 3a8m h THR 82 N 0.56 0.98 -0.84 0.00 2.02 -0.63 -1.47 112.91 113.53 3a8m h THR 82 Ca 0.24 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 3a8m h THR 82 Cb 0.13 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3a8m h THR 82 CO -0.16 0.07 0.41 -0.07 0.37 0.00 0.00 175.52 176.14 3a8m h LEU 83 N 0.38 1.10 -1.04 2.58 3.38 -0.79 0.70 115.31 121.62 3a8m h LEU 83 Ca 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3a8m h LEU 83 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3a8m h LEU 83 CO -0.11 0.92 -0.01 0.24 0.09 0.00 0.00 178.44 179.57 3a8m h MET 84 N 1.20 0.67 -0.09 1.13 2.86 -0.70 0.29 114.93 120.29 3a8m h MET 84 Ca 0.29 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3a8m h MET 84 Cb 0.12 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3a8m h MET 84 CO -0.04 0.69 -0.05 0.28 1.06 0.00 0.00 176.91 178.86 3a8m h VAL 85 N 0.63 1.32 -0.14 -2.22 2.07 -0.81 -0.27 116.25 116.85 3a8m h VAL 85 Ca 0.13 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 3a8m h VAL 85 Cb 0.41 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3a8m h VAL 85 CO 0.02 0.30 -0.14 -0.33 0.02 0.00 0.00 177.57 177.44 3a8m h GLU 86 N -0.17 0.21 0.00 1.57 5.08 -0.50 -1.02 114.58 119.75 3a8m h GLU 86 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3a8m h GLU 86 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3a8m h GLU 86 CO 0.01 0.37 0.00 1.63 -1.00 0.00 0.00 179.01 180.02 3a8m n LYS 87 N -4.27 0.41 -0.54 2.33 4.76 0.06 -4.92 118.16 115.98 3a8m n LYS 87 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3a8m n LYS 87 Cb 0.27 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3a8m n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a8m n GLY 88 N 1.27 0.74 0.14 0.72 0.00 -0.39 -4.94 105.19 102.74 3a8m n GLY 88 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3a8m n GLY 88 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a8m h ILE 89 N 0.00 1.23 -2.65 -0.61 2.04 -1.29 -3.47 117.51 112.76 3a8m h ILE 89 Ca 0.00 -2.59 -0.49 0.00 1.00 0.00 0.00 64.86 62.77 3a8m h ILE 89 Cb 0.00 2.99 -0.14 0.00 -0.74 0.00 0.00 36.82 38.93 3a8m h ILE 89 CO 0.00 0.79 -0.70 -0.76 0.00 0.00 0.00 178.15 177.48 3a8m s LEU 90 N -7.59 2.52 0.15 1.44 1.43 -0.71 -5.00 118.68 110.92 3a8m s LEU 90 Ca -0.13 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 51.93 3a8m s LEU 90 Cb 0.04 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 3a8m s LEU 90 CO 0.89 -0.25 -0.07 0.42 0.23 0.00 0.00 176.35 177.57 3a8m s THR 91 N -2.94 3.44 0.31 5.49 -4.23 -1.26 -3.98 115.64 112.46 3a8m s THR 91 Ca 0.27 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 3a8m s THR 91 Cb 0.02 -2.68 0.11 0.00 1.34 0.00 0.00 72.50 71.29 3a8m s THR 91 CO 0.11 -0.03 1.80 -0.61 -0.54 0.00 0.00 174.62 175.35 3a8m h GLN 92 N 3.10 0.51 -0.46 3.99 4.15 -1.96 -2.05 115.11 122.39 3a8m h GLN 92 Ca -0.48 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 58.87 3a8m h GLN 92 Cb 1.19 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.77 3a8m h GLN 92 CO 0.55 0.63 0.12 0.22 -1.93 0.00 0.00 178.83 178.42 3a8m h ASP 93 N 0.48 0.07 0.06 -0.69 1.82 -1.99 0.21 116.42 116.38 3a8m h ASP 93 Ca 0.09 0.07 -0.15 0.00 -0.39 0.00 0.00 57.03 56.65 3a8m h ASP 93 Cb 0.49 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 3a8m h ASP 93 CO 0.03 0.07 -0.52 1.05 -1.61 0.00 0.00 179.24 178.26 3a8m h GLU 94 N 0.27 0.50 -0.55 0.28 4.11 -1.88 0.08 114.58 117.39 3a8m h GLU 94 Ca 0.23 -0.30 0.01 0.00 0.07 0.00 0.00 59.36 59.36 3a8m h GLU 94 Cb 0.27 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3a8m h GLU 94 CO -0.27 0.90 0.36 -0.07 0.07 0.00 0.00 179.01 180.01 3a8m h LEU 95 N 0.39 0.63 -0.67 3.06 3.38 -0.77 -0.89 115.31 120.43 3a8m h LEU 95 Ca 0.01 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3a8m h LEU 95 Cb 1.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3a8m h LEU 95 CO 0.10 0.45 -0.39 -0.33 0.09 0.00 0.00 178.44 178.36 3a8m h GLU 96 N 0.74 0.59 -0.43 1.13 5.08 -0.80 0.05 114.58 120.94 3a8m h GLU 96 Ca 0.20 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3a8m h GLU 96 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3a8m h GLU 96 CO -0.05 0.88 0.07 0.77 -1.00 0.00 0.00 179.01 179.68 3a8m h SER 97 N 0.49 0.68 -0.34 1.42 0.02 -0.73 0.36 113.55 115.44 3a8m h SER 97 Ca 0.04 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.63 3a8m h SER 97 Cb 0.89 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 3a8m h SER 97 CO 0.08 0.77 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.31 3a8m h LEU 98 N 0.56 0.81 -0.68 5.07 3.38 -1.06 -3.05 115.31 120.34 3a8m h LEU 98 Ca 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3a8m h LEU 98 Cb 0.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a8m h LEU 98 CO 0.01 0.96 -0.09 0.00 0.09 0.00 0.00 178.44 179.41 3a8m h ALA 99 N 1.10 0.97 0.00 1.53 0.00 -0.71 -3.47 119.26 118.68 3a8m h ALA 99 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a8m h ALA 99 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3a8m h ALA 99 CO 0.05 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.82 3a8m n GLY 100 N 0.60 0.41 0.00 0.00 0.00 0.08 -4.96 105.19 101.33 3a8m n GLY 100 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3a8m n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a8m n GLY 101 N -2.95 -1.48 3.77 -0.02 0.00 -1.00 -5.06 105.19 98.45 3a8m n GLY 101 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 3a8m n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a8m s PRO 102 N -1.28 4.03 -0.42 1.61 0.02 -1.26 -4.53 135.00 133.17 3a8m s PRO 102 Ca 0.00 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.29 3a8m s PRO 102 Cb 0.00 -2.81 0.25 0.00 0.02 0.00 0.00 34.50 31.96 3a8m s PRO 102 CO 0.00 -0.46 0.55 0.34 -0.33 0.00 0.00 177.00 177.11 3a8m n PHE 103 N 0.23 0.13 -1.99 6.54 -0.00 -1.26 -5.03 117.46 116.08 3a8m n PHE 103 Ca 0.03 -3.64 -0.38 0.00 -0.00 0.00 0.00 57.45 53.46 3a8m n PHE 103 Cb 0.43 -0.38 0.02 0.00 -0.00 0.00 0.00 39.48 39.55 3a8m n PHE 103 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3a8m s PRO 104 N -1.38 3.48 0.47 -7.13 0.04 -1.26 -4.96 135.00 124.26 3a8m s PRO 104 Ca 0.36 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.52 3a8m s PRO 104 Cb 0.17 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3a8m s PRO 104 CO -0.10 -0.86 0.30 -0.51 0.04 0.00 0.00 177.00 175.87 3a8m s LEU 105 N -3.19 2.96 0.89 -3.56 1.43 -1.26 -4.96 118.68 110.98 3a8m s LEU 105 Ca 0.67 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3a8m s LEU 105 Cb -0.36 -1.43 0.13 0.00 0.03 0.00 0.00 46.19 44.56 3a8m s LEU 105 CO 0.43 -0.81 1.10 -0.44 0.23 0.00 0.00 176.35 176.86 3a8m s SER 106 N -4.11 3.36 0.54 2.29 0.01 -1.26 -4.75 113.70 109.78 3a8m s SER 106 Ca 0.38 1.85 -0.17 0.00 1.31 0.00 0.00 55.95 59.32 3a8m s SER 106 Cb -0.00 -2.44 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 3a8m s SER 106 CO 0.22 -2.77 1.01 -0.13 0.41 0.00 0.00 173.24 171.99 3a8m s ARG 107 N -4.78 3.74 0.65 12.44 0.52 -0.46 -4.95 118.95 126.12 3a8m s ARG 107 Ca 0.64 1.07 -0.18 0.00 -0.52 0.00 0.00 55.73 56.75 3a8m s ARG 107 Cb -0.20 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 3a8m s ARG 107 CO 0.58 -0.45 1.21 -2.30 0.02 0.00 0.00 175.30 174.35 3a8m n PRO 108 N -1.65 1.01 -2.08 3.54 -0.02 -1.26 -4.84 135.00 129.69 3a8m n PRO 108 Ca 0.07 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 3a8m n PRO 108 Cb 0.53 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3a8m n PRO 108 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3a8m s SER 109 N -1.39 6.32 -0.04 2.55 0.15 -1.26 -4.93 113.70 115.10 3a8m s SER 109 Ca 0.81 2.61 0.15 0.00 0.70 0.00 0.00 55.95 60.22 3a8m s SER 109 Cb -0.38 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 61.76 3a8m s SER 109 CO 0.42 -0.84 1.39 -0.62 1.20 0.00 0.00 173.24 174.80 3a8m n GLU 110 N 0.10 2.99 -4.03 5.44 1.02 -1.26 -4.95 120.64 119.96 3a8m n GLU 110 Ca 0.04 -2.41 -0.13 0.00 -0.02 0.00 0.00 57.16 54.64 3a8m n GLU 110 Cb 0.44 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 3a8m n GLU 110 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a8m s SER 111 N -1.11 0.43 0.00 1.62 0.15 -1.26 -4.97 113.70 108.56 3a8m s SER 111 Ca 0.35 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.06 3a8m s SER 111 Cb 0.21 0.00 1.53 0.00 -1.71 0.00 0.00 66.02 66.05 3a8m s SER 111 CO 0.20 -0.07 2.01 -0.62 1.20 0.00 0.00 173.24 175.95 3a8m n GLU 112 N 2.44 1.22 0.00 5.44 1.02 -1.26 -4.90 120.64 124.60 3a8m n GLU 112 Ca -0.17 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 3a8m n GLU 112 Cb 0.57 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3a8m n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a8m n GLY 113 N 1.03 -2.11 3.21 0.62 0.00 -1.26 -4.92 105.19 101.76 3a8m n GLY 113 Ca 0.21 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 3a8m n GLY 113 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3a8m s ARG 114 N -0.13 0.73 0.81 1.61 1.70 -0.84 -5.02 118.95 117.81 3a8m s ARG 114 Ca 0.00 -0.56 -0.12 0.00 -0.47 0.00 0.00 55.73 54.58 3a8m s ARG 114 Cb 0.00 0.31 0.08 0.00 -0.57 0.00 0.00 34.95 34.76 3a8m s ARG 114 CO 0.00 -0.22 1.10 -1.25 -1.08 0.00 0.00 175.30 173.85 3a8m s PRO 115 N -2.48 1.99 0.15 3.89 0.04 -1.26 -2.67 135.00 134.65 3a8m s PRO 115 Ca -0.06 0.60 -0.34 0.00 0.04 0.00 0.00 61.00 61.24 3a8m s PRO 115 Cb -0.01 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 3a8m s PRO 115 CO -0.03 -1.68 1.58 0.00 0.04 0.00 0.00 177.00 176.91 3a8m n ALA 116 N -3.47 1.28 -1.78 8.56 0.00 -0.92 -4.86 120.51 119.32 3a8m n ALA 116 Ca 0.07 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 3a8m n ALA 116 Cb 0.57 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.67 3a8m n ALA 116 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3a8m n PRO 117 N 3.48 2.70 0.08 0.00 -0.02 -1.26 -4.90 135.00 135.08 3a8m n PRO 117 Ca 0.17 0.95 -0.11 0.00 -2.02 0.00 0.00 63.50 62.49 3a8m n PRO 117 Cb 0.28 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 3a8m n PRO 117 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3a8m h VAL 118 N 2.99 1.51 -3.62 -1.45 3.04 -2.01 -3.41 116.25 113.28 3a8m h VAL 118 Ca -0.51 -2.78 -0.69 0.00 -1.01 0.00 0.00 66.70 61.72 3a8m h VAL 118 Cb 1.24 2.61 -0.26 0.00 -2.01 0.00 0.00 31.29 32.87 3a8m h VAL 118 CO 0.65 0.81 -0.58 -1.61 -1.01 0.00 0.00 177.57 175.83 3a8m s GLU 119 N -3.04 2.96 0.26 4.17 2.02 -1.26 -5.05 118.70 118.76 3a8m s GLU 119 Ca -0.03 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.02 3a8m s GLU 119 Cb 0.09 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 3a8m s GLU 119 CO 0.85 -0.55 0.16 0.95 0.02 0.00 0.00 175.26 176.69 3a8m s THR 120 N 1.51 0.14 -0.00 3.63 -4.23 -1.26 -5.03 115.64 110.39 3a8m s THR 120 Ca 0.02 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3a8m s THR 120 Cb -0.18 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 3a8m s THR 120 CO 0.04 0.00 -0.22 -0.89 -0.54 0.00 0.00 174.62 173.01 3a8m s THR 121 N -3.84 1.75 -0.28 3.99 2.01 -1.26 -5.11 115.64 112.89 3a8m s THR 121 Ca 0.38 -1.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 3a8m s THR 121 Cb 0.06 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 71.11 3a8m s THR 121 CO 0.17 0.44 0.87 -0.89 -0.69 0.00 0.00 174.62 174.51 3a8m s THR 122 N -0.58 4.75 0.17 -0.82 2.01 -1.26 -5.00 115.64 114.91 3a8m s THR 122 Ca 0.09 1.47 0.02 0.00 0.31 0.00 0.00 61.69 63.57 3a8m s THR 122 Cb -0.09 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 3a8m s THR 122 CO -0.00 -0.23 0.31 -0.36 -0.69 0.00 0.00 174.62 173.65 3a8m s PHE 123 N 3.06 3.48 0.17 4.92 0.08 -1.26 -5.12 117.98 123.32 3a8m s PHE 123 Ca 0.36 0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.66 3a8m s PHE 123 Cb -0.14 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3a8m s PHE 123 CO 0.11 0.48 -0.08 -1.21 -0.10 0.00 0.00 175.22 174.41 3a8m s GLU 124 N -3.29 2.11 0.15 0.44 0.41 -1.26 -4.90 118.70 112.35 3a8m s GLU 124 Ca 0.35 -1.22 -0.34 0.00 -0.41 0.00 0.00 54.97 53.35 3a8m s GLU 124 Cb -0.11 -2.20 -0.15 0.00 -1.78 0.00 0.00 34.13 29.89 3a8m s GLU 124 CO 0.29 0.44 1.42 0.28 -0.49 0.00 0.00 175.26 177.21 3a8m n VAL 125 N 0.09 0.24 0.00 2.63 0.31 -1.26 -1.62 118.33 118.72 3a8m n VAL 125 Ca -0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3a8m n VAL 125 Cb 0.55 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 3a8m n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a8m n GLY 126 N 2.77 1.62 3.78 2.92 0.00 0.24 -4.98 105.19 111.55 3a8m n GLY 126 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3a8m n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a8m s GLN 127 N -0.74 3.84 -0.09 1.61 -0.21 -0.64 -4.65 119.66 118.78 3a8m s GLN 127 Ca 0.00 1.51 -0.19 0.00 0.02 0.00 0.00 55.36 56.71 3a8m s GLN 127 Cb 0.00 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 3a8m s GLN 127 CO 0.00 -0.43 0.50 1.03 -2.12 0.00 0.00 175.29 174.28 3a8m s ARG 128 N -2.93 4.32 0.11 2.91 1.81 -1.26 -1.17 118.95 122.74 3a8m s ARG 128 Ca 0.65 0.51 0.05 0.00 -1.72 0.00 0.00 55.73 55.22 3a8m s ARG 128 Cb -0.21 -3.41 -0.04 0.00 -0.45 0.00 0.00 34.95 30.84 3a8m s ARG 128 CO 0.26 0.21 -0.13 0.14 -0.68 0.00 0.00 175.30 175.09 3a8m s VAL 129 N 0.44 1.26 -0.03 3.52 -7.23 -0.17 -1.98 120.40 116.20 3a8m s VAL 129 Ca 0.27 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 3a8m s VAL 129 Cb -0.16 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 3a8m s VAL 129 CO 0.12 -0.42 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.74 3a8m s ARG 130 N -2.61 2.43 -0.07 4.82 3.52 -0.09 -0.92 118.95 126.04 3a8m s ARG 130 Ca 0.07 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.63 3a8m s ARG 130 Cb -0.05 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 3a8m s ARG 130 CO 0.02 0.61 1.17 0.08 -0.81 0.00 0.00 175.30 176.38 3a8m s VAL 131 N -0.77 4.33 0.20 7.11 1.01 -0.18 -1.39 120.40 130.73 3a8m s VAL 131 Ca 0.12 1.64 -0.32 0.00 0.00 0.00 0.00 61.98 63.43 3a8m s VAL 131 Cb -0.11 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 3a8m s VAL 131 CO 0.01 -0.00 1.24 0.54 0.00 0.00 0.00 175.10 176.89 3a8m n ARG 132 N 5.20 1.48 -2.65 2.72 1.74 0.48 -1.34 116.66 124.30 3a8m n ARG 132 Ca 0.11 0.53 -0.43 0.00 -0.77 0.00 0.00 57.85 57.28 3a8m n ARG 132 Cb 0.46 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 3a8m n ARG 132 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a8m n ASP 133 N 2.00 5.02 -4.18 0.55 4.64 -1.26 -4.09 116.55 119.24 3a8m n ASP 133 Ca 0.13 -2.97 -0.18 0.00 -1.38 0.00 0.00 54.79 50.39 3a8m n ASP 133 Cb 0.27 -1.61 -0.12 0.00 -1.04 0.00 0.00 41.12 38.63 3a8m n ASP 133 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3a8m s GLU 134 N 2.19 0.84 -0.14 -0.67 2.02 -1.26 -5.02 118.70 116.66 3a8m s GLU 134 Ca 0.46 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.48 3a8m s GLU 134 Cb 0.02 -0.81 0.01 0.00 0.10 0.00 0.00 34.13 33.46 3a8m s GLU 134 CO 0.02 0.17 -0.21 0.71 0.02 0.00 0.00 175.26 175.97 3a8m s TYR 135 N -1.43 2.57 -0.21 1.61 1.51 -1.26 -5.04 117.35 115.10 3a8m s TYR 135 Ca -0.01 -1.31 0.01 0.00 -1.01 0.00 0.00 57.07 54.75 3a8m s TYR 135 Cb -0.09 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3a8m s TYR 135 CO 0.02 -0.61 -0.12 0.08 -1.11 0.00 0.00 175.55 173.81 3a8m s VAL 136 N 0.89 1.81 -0.32 0.71 1.01 -1.26 -5.02 120.40 118.22 3a8m s VAL 136 Ca -0.06 -1.15 0.26 0.00 0.00 0.00 0.00 61.98 61.03 3a8m s VAL 136 Cb -0.15 -1.87 0.35 0.00 0.00 0.00 0.00 36.38 34.71 3a8m s VAL 136 CO -0.03 0.16 1.71 1.55 0.00 0.00 0.00 175.10 178.49 3a8m h PRO 137 N 7.92 0.00 0.00 2.72 0.13 -1.97 -1.49 132.00 139.31 3a8m h PRO 137 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3a8m h PRO 137 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3a8m h PRO 137 CO 0.49 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 3a8m n GLY 138 N 0.84 1.19 3.77 1.56 0.00 -1.26 -4.16 105.19 107.12 3a8m n GLY 138 Ca 0.03 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 3a8m n GLY 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a8m s HIS 139 N 1.52 3.07 -0.15 1.61 5.65 -1.26 -0.07 115.29 125.66 3a8m s HIS 139 Ca 0.00 1.47 -0.21 0.00 0.25 0.00 0.00 55.06 56.57 3a8m s HIS 139 Cb 0.00 -3.59 0.05 0.00 -1.18 0.00 0.00 32.58 27.86 3a8m s HIS 139 CO 0.00 -1.67 0.55 -1.50 -0.65 0.00 0.00 174.74 171.47 3a8m s ILE 140 N -1.21 0.01 -0.62 0.89 2.07 -1.26 -3.89 121.20 117.20 3a8m s ILE 140 Ca 0.51 -0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.68 3a8m s ILE 140 Cb -0.37 -0.81 0.44 0.00 0.13 0.00 0.00 42.46 41.85 3a8m s ILE 140 CO 0.49 -0.04 1.84 0.54 -1.91 0.00 0.00 174.94 175.86 3a8m n ARG 141 N 2.19 2.90 -4.04 3.50 5.12 -1.26 -4.70 116.66 120.38 3a8m n ARG 141 Ca -0.16 -3.54 -0.32 0.00 -1.93 0.00 0.00 57.85 51.90 3a8m n ARG 141 Cb 0.56 -2.28 -0.15 0.00 -1.16 0.00 0.00 32.46 29.43 3a8m n ARG 141 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 3a8m s MET 142 N -3.81 2.13 0.42 5.56 1.75 -1.26 -4.82 119.30 119.26 3a8m s MET 142 Ca 0.60 -1.44 -0.25 0.00 -1.25 0.00 0.00 55.69 53.35 3a8m s MET 142 Cb 0.48 -2.99 -0.08 0.00 2.84 0.00 0.00 34.83 35.07 3a8m s MET 142 CO -0.07 -0.65 1.28 -1.25 -0.65 0.00 0.00 175.02 173.68 3a8m s PRO 143 N 1.09 3.91 0.54 4.11 0.04 -1.26 -4.90 135.00 138.52 3a8m s PRO 143 Ca -0.05 2.10 0.22 0.00 0.04 0.00 0.00 61.00 63.31 3a8m s PRO 143 Cb -0.20 -2.69 1.47 0.00 0.04 0.00 0.00 34.50 33.12 3a8m s PRO 143 CO -0.05 -0.52 2.16 0.00 0.04 0.00 0.00 177.00 178.63 3a8m h ALA 144 N 2.56 1.70 -0.03 8.56 0.00 -1.93 -2.16 119.26 127.96 3a8m h ALA 144 Ca -0.50 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.39 3a8m h ALA 144 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3a8m h ALA 144 CO 0.62 0.05 0.11 0.10 0.00 0.00 0.00 179.25 180.12 3a8m h TYR 145 N 0.00 0.00 -0.02 0.00 -0.00 -1.90 -1.90 116.97 113.14 3a8m h TYR 145 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3a8m h TYR 145 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.81 3a8m h TYR 145 CO 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 178.16 177.98 3a8m n ARG 147 N 0.55 2.39 -0.89 0.00 0.63 -0.72 -1.29 116.66 117.33 3a8m n ARG 147 Ca 0.10 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.89 3a8m n ARG 147 Cb 0.44 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.68 3a8m n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3a8m n GLY 148 N 3.70 0.59 3.95 5.14 0.00 -0.45 -4.98 105.19 113.14 3a8m n GLY 148 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3a8m n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a8m s ARG 149 N -0.40 3.37 -0.09 1.61 1.81 -0.42 -4.68 118.95 120.15 3a8m s ARG 149 Ca 0.00 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 53.57 3a8m s ARG 149 Cb 0.00 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 3a8m s ARG 149 CO 0.00 0.07 -0.04 0.08 -0.68 0.00 0.00 175.30 174.72 3a8m s VAL 150 N -2.34 3.92 0.05 3.52 1.01 -1.26 -1.01 120.40 124.28 3a8m s VAL 150 Ca 0.42 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 3a8m s VAL 150 Cb -0.10 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3a8m s VAL 150 CO 0.36 0.58 0.06 0.61 0.00 0.00 0.00 175.10 176.71 3a8m n GLY 151 N 2.49 3.08 3.28 4.51 0.00 -0.10 -4.71 105.19 113.75 3a8m n GLY 151 Ca -0.18 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3a8m n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a8m s THR 152 N -2.46 1.89 -0.11 2.61 2.01 -0.41 -1.00 115.64 118.17 3a8m s THR 152 Ca 0.04 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 3a8m s THR 152 Cb -0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 3a8m s THR 152 CO 0.03 0.41 1.29 -0.63 -0.69 0.00 0.00 174.62 175.03 3a8m s ILE 153 N -0.67 4.17 -0.32 1.82 -1.09 -0.31 -0.54 121.20 124.25 3a8m s ILE 153 Ca 0.09 1.45 0.15 0.00 -2.23 0.00 0.00 60.65 60.12 3a8m s ILE 153 Cb -0.09 -3.94 -0.21 0.00 -1.58 0.00 0.00 42.46 36.64 3a8m s ILE 153 CO 0.00 -0.08 0.47 -1.54 -1.23 0.00 0.00 174.94 172.57 3a8m n SER 154 N 6.12 1.12 -3.63 3.58 3.41 0.24 -0.59 113.62 123.86 3a8m n SER 154 Ca 0.13 -0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 3a8m n SER 154 Cb 0.45 1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 65.73 3a8m n SER 154 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a8m s HIS 155 N -2.80 -0.74 -0.18 7.33 5.65 -1.22 -4.94 115.29 118.38 3a8m s HIS 155 Ca -0.01 1.81 -0.02 0.00 0.25 0.00 0.00 55.06 57.09 3a8m s HIS 155 Cb 0.11 0.29 -0.01 0.00 -1.18 0.00 0.00 32.58 31.79 3a8m s HIS 155 CO 0.64 -0.36 -0.08 0.50 -0.65 0.00 0.00 174.74 174.79 3a8m s ARG 156 N 0.38 3.41 0.55 2.88 3.52 -1.26 -1.20 118.95 127.23 3a8m s ARG 156 Ca 0.00 -0.63 -0.21 0.00 -0.13 0.00 0.00 55.73 54.75 3a8m s ARG 156 Cb -0.05 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 3a8m s ARG 156 CO -0.01 0.00 1.32 0.95 -0.81 0.00 0.00 175.30 176.75 3a8m s THR 157 N 0.94 2.24 -2.29 4.11 -4.23 -0.33 -4.90 115.64 111.18 3a8m s THR 157 Ca -0.01 0.18 0.24 0.00 -1.18 0.00 0.00 61.69 60.91 3a8m s THR 157 Cb -0.15 -3.09 0.53 0.00 1.34 0.00 0.00 72.50 71.14 3a8m s THR 157 CO 0.00 -0.01 1.69 0.35 -0.54 0.00 0.00 174.62 176.11 3a8m n THR 158 N -1.08 0.10 -4.45 3.99 -2.24 -1.26 -4.74 114.28 104.60 3a8m n THR 158 Ca 0.11 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 3a8m n THR 158 Cb 0.46 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 3a8m n THR 158 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3a8m s GLU 159 N -1.90 1.60 0.11 -0.78 0.41 -1.26 -5.15 118.70 111.73 3a8m s GLU 159 Ca 0.35 -1.82 0.05 0.00 -0.41 0.00 0.00 54.97 53.14 3a8m s GLU 159 Cb 0.18 -1.24 -0.04 0.00 -1.78 0.00 0.00 34.13 31.26 3a8m s GLU 159 CO 0.29 0.04 -0.14 0.15 -0.49 0.00 0.00 175.26 175.12 3a8m s LYS 160 N -3.71 0.95 0.05 1.61 1.02 -1.26 -4.30 119.74 114.10 3a8m s LYS 160 Ca 0.30 -1.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 3a8m s LYS 160 Cb 0.04 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.47 3a8m s LYS 160 CO 0.13 0.16 -0.02 -1.58 -0.92 0.00 0.00 175.35 173.12 3a8m s TRP 161 N -1.99 0.48 0.48 3.18 0.51 0.21 -4.81 118.94 116.99 3a8m s TRP 161 Ca 0.06 -1.00 -0.24 0.00 -2.12 0.00 0.00 56.10 52.80 3a8m s TRP 161 Cb -0.06 -0.36 -0.08 0.00 -0.81 0.00 0.00 33.47 32.17 3a8m s TRP 161 CO 0.02 -0.37 1.39 -2.30 -0.51 0.00 0.00 176.95 175.18 3a8m n PRO 162 N 0.22 2.05 -2.05 4.98 -0.02 -1.25 -1.22 135.00 137.71 3a8m n PRO 162 Ca -0.15 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3a8m n PRO 162 Cb 0.61 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3a8m n PRO 162 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3a8m s PHE 163 N -1.22 2.44 0.43 6.00 5.36 -0.43 -4.88 117.98 125.66 3a8m s PHE 163 Ca 0.64 0.45 0.10 0.00 -0.96 0.00 0.00 56.93 57.16 3a8m s PHE 163 Cb -0.45 -3.85 0.95 0.00 -0.34 0.00 0.00 43.02 39.34 3a8m s PHE 163 CO 0.55 -3.38 2.04 -1.35 -1.46 0.00 0.00 175.22 171.62 3a8m h PRO 164 N 8.51 0.45 0.00 10.12 0.11 -1.91 -1.35 132.00 147.94 3a8m h PRO 164 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3a8m h PRO 164 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a8m h PRO 164 CO 0.93 0.30 0.00 -0.44 -0.21 0.00 0.00 178.00 178.58 3a8m h ASP 165 N 0.46 0.00 0.00 -2.05 5.19 -1.84 0.17 116.42 118.35 3a8m h ASP 165 Ca 0.18 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.34 3a8m h ASP 165 Cb 0.15 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 3a8m h ASP 165 CO -0.05 0.00 -1.74 0.00 -3.12 0.00 0.00 179.24 174.34 3a8m n ALA 166 N -1.86 0.99 0.21 3.45 0.00 -0.75 -1.98 120.51 120.56 3a8m n ALA 166 Ca 0.01 -0.89 0.08 0.00 0.00 0.00 0.00 53.44 52.64 3a8m n ALA 166 Cb 0.22 0.02 0.39 0.00 0.00 0.00 0.00 19.45 20.07 3a8m n ALA 166 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a8m h ILE 167 N -1.00 0.67 0.00 0.00 2.10 -1.21 -1.40 117.51 116.66 3a8m h ILE 167 Ca -0.38 -1.30 0.00 0.00 1.08 0.00 0.00 64.86 64.26 3a8m h ILE 167 Cb 1.29 1.86 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 3a8m h ILE 167 CO -0.23 0.28 0.00 0.61 -1.08 0.00 0.00 178.15 177.73 3a8m n GLY 168 N 0.25 -0.79 0.40 8.18 0.00 0.60 -1.48 105.19 112.36 3a8m n GLY 168 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.00 3a8m n GLY 168 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a8m n HIS 169 N -1.35 0.24 -1.70 1.61 8.25 -0.59 -4.12 115.22 117.55 3a8m n HIS 169 Ca 0.05 -0.37 -0.13 0.00 -0.26 0.00 0.00 57.72 57.01 3a8m n HIS 169 Cb 0.12 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 3a8m n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8m n GLY 170 N 0.25 0.78 3.84 -1.41 0.00 -0.55 -5.01 105.19 103.10 3a8m n GLY 170 Ca 0.07 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3a8m n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a8m s ARG 171 N -3.67 3.04 0.00 1.61 0.52 -0.86 -4.97 118.95 114.60 3a8m s ARG 171 Ca 0.00 0.78 0.23 0.00 -0.52 0.00 0.00 55.73 56.22 3a8m s ARG 171 Cb 0.00 -2.01 0.68 0.00 0.52 0.00 0.00 34.95 34.14 3a8m s ARG 171 CO 0.00 -0.98 1.53 0.27 0.02 0.00 0.00 175.30 176.14 3a8m n ASN 172 N -3.03 2.15 -1.24 0.23 0.23 -1.26 -4.36 115.26 107.99 3a8m n ASN 172 Ca 0.07 -1.75 -0.06 0.00 -0.53 0.00 0.00 54.58 52.30 3a8m n ASN 172 Cb 0.55 -0.09 0.13 0.00 -2.08 0.00 0.00 39.78 38.28 3a8m n ASN 172 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3a8m n ASP 173 N 0.65 2.99 0.08 0.53 5.68 -1.26 -4.71 116.55 120.51 3a8m n ASP 173 Ca 0.17 -3.76 0.13 0.00 -0.50 0.00 0.00 54.79 50.83 3a8m n ASP 173 Cb 0.43 -0.45 0.46 0.00 -1.14 0.00 0.00 41.12 40.42 3a8m n ASP 173 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a8m n ALA 174 N -0.90 2.12 -0.48 2.12 0.00 -1.26 -2.17 120.51 119.93 3a8m n ALA 174 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3a8m n ALA 174 Cb 0.82 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3a8m n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8m n GLY 175 N 0.98 1.56 3.34 0.00 0.00 -1.26 -1.32 105.19 108.50 3a8m n GLY 175 Ca 0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3a8m n GLY 175 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a8m s GLU 176 N 0.00 0.52 0.04 1.61 -1.05 -1.26 -3.89 118.70 114.67 3a8m s GLU 176 Ca 0.00 0.63 0.02 0.00 -0.15 0.00 0.00 54.97 55.46 3a8m s GLU 176 Cb 0.00 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 3a8m s GLU 176 CO 0.00 -0.06 -0.06 -1.21 0.95 0.00 0.00 175.26 174.87 3a8m s GLU 177 N 0.26 0.47 0.82 -4.83 2.02 -0.35 -4.83 118.70 112.25 3a8m s GLU 177 Ca -0.00 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 3a8m s GLU 177 Cb -0.03 -0.17 0.08 0.00 0.10 0.00 0.00 34.13 34.11 3a8m s GLU 177 CO 0.00 0.02 1.16 -1.25 0.02 0.00 0.00 175.26 175.21 3a8m s PRO 178 N -1.59 1.92 0.38 0.39 0.04 -1.26 -0.62 135.00 134.27 3a8m s PRO 178 Ca -0.11 0.20 0.08 0.00 0.04 0.00 0.00 61.00 61.21 3a8m s PRO 178 Cb -0.10 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3a8m s PRO 178 CO -0.00 -1.64 0.06 0.95 0.04 0.00 0.00 177.00 176.41 3a8m s THR 179 N -3.48 2.32 -0.05 1.26 -4.23 -1.26 -2.00 115.64 108.20 3a8m s THR 179 Ca 0.62 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3a8m s THR 179 Cb -0.12 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.82 3a8m s THR 179 CO 0.50 -0.08 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.11 3a8m s TYR 180 N -2.60 1.06 -0.38 3.99 1.51 0.01 -1.18 117.35 119.75 3a8m s TYR 180 Ca 0.37 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.80 3a8m s TYR 180 Cb 0.04 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 3a8m s TYR 180 CO 0.20 -0.20 1.26 -1.01 -1.11 0.00 0.00 175.55 174.68 3a8m s HIS 181 N 0.67 2.71 -0.22 2.71 3.76 -0.34 -0.66 115.29 123.91 3a8m s HIS 181 Ca -0.11 0.82 -0.05 0.00 -0.15 0.00 0.00 55.06 55.57 3a8m s HIS 181 Cb -0.14 -4.12 -0.02 0.00 1.11 0.00 0.00 32.58 29.41 3a8m s HIS 181 CO 0.02 -1.54 -0.01 0.08 -0.85 0.00 0.00 174.74 172.44 3a8m s VAL 182 N 4.58 3.70 -0.23 -0.90 1.01 0.02 -0.59 120.40 127.98 3a8m s VAL 182 Ca 0.54 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 3a8m s VAL 182 Cb -0.13 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3a8m s VAL 182 CO 0.27 0.40 0.52 -0.75 0.00 0.00 0.00 175.10 175.55 3a8m s LYS 183 N 1.42 4.12 -0.09 2.72 2.20 0.30 -1.01 119.74 129.40 3a8m s LYS 183 Ca 0.05 0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 3a8m s LYS 183 Cb -0.15 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 3a8m s LYS 183 CO -0.01 -0.27 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.64 3a8m s PHE 184 N 2.02 3.10 0.38 4.03 0.40 0.41 -1.29 117.98 127.03 3a8m s PHE 184 Ca 0.23 0.12 -0.27 0.00 -0.60 0.00 0.00 56.93 56.40 3a8m s PHE 184 Cb -0.15 -1.79 -0.09 0.00 0.51 0.00 0.00 43.02 41.49 3a8m s PHE 184 CO 0.09 0.40 1.32 0.00 0.70 0.00 0.00 175.22 177.73 3a8m s ALA 185 N -0.75 3.36 0.29 5.36 0.00 -1.26 -0.97 121.76 127.79 3a8m s ALA 185 Ca 0.12 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.36 3a8m s ALA 185 Cb -0.11 -3.50 0.54 0.00 0.00 0.00 0.00 23.12 20.05 3a8m s ALA 185 CO 0.02 -0.79 1.87 0.00 0.00 0.00 0.00 175.76 176.86 3a8m h ALA 186 N 2.91 1.52 0.00 0.00 0.00 -1.41 -0.65 119.26 121.62 3a8m h ALA 186 Ca -0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3a8m h ALA 186 Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3a8m h ALA 186 CO 0.63 0.28 -0.20 1.05 0.00 0.00 0.00 179.25 181.02 3a8m h GLU 187 N 1.02 0.00 -0.15 0.00 9.09 -1.83 -1.21 114.58 121.50 3a8m h GLU 187 Ca 0.45 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.77 3a8m h GLU 187 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 3a8m h GLU 187 CO -0.21 0.20 -0.29 1.49 0.05 0.00 0.00 179.01 180.25 3a8m h GLU 188 N 0.00 0.29 0.04 1.06 4.57 -1.42 -0.77 114.58 118.36 3a8m h GLU 188 Ca -0.00 -0.11 -0.32 0.00 -1.18 0.00 0.00 59.36 57.75 3a8m h GLU 188 Cb 0.48 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 3a8m h GLU 188 CO 0.03 0.56 -1.87 1.28 -1.18 0.00 0.00 179.01 177.82 3a8m n LEU 189 N -4.12 1.46 -0.21 1.64 4.77 -0.82 -4.63 117.00 115.09 3a8m n LEU 189 Ca -0.01 0.30 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 3a8m n LEU 189 Cb 0.40 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3a8m n LEU 189 CO 0.41 0.56 0.29 0.49 -1.33 0.00 0.00 177.39 177.81 3a8m n PHE 190 N -3.17 0.00 -4.10 -1.77 3.72 -0.52 -5.00 117.46 106.61 3a8m n PHE 190 Ca -0.24 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 3a8m n PHE 190 Cb 1.06 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 3a8m n PHE 190 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a8m n GLY 191 N -0.15 3.09 0.08 1.37 0.00 -0.29 -0.98 105.19 108.31 3a8m n GLY 191 Ca 0.01 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3a8m n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a8m n SER 192 N 1.60 0.55 -3.67 1.61 3.41 -1.26 -4.23 113.62 111.63 3a8m n SER 192 Ca 0.00 0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 58.78 3a8m n SER 192 Cb 0.00 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.24 3a8m n SER 192 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3a8m n ASP 193 N -2.05 7.15 -3.50 4.04 2.03 -0.15 -4.87 116.55 119.19 3a8m n ASP 193 Ca 0.04 -3.36 -0.15 0.00 0.52 0.00 0.00 54.79 51.85 3a8m n ASP 193 Cb 0.32 -1.30 -0.05 0.00 -0.72 0.00 0.00 41.12 39.37 3a8m n ASP 193 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3a8m s THR 194 N -2.21 0.00 -0.17 5.18 -1.32 -1.26 -4.90 115.64 110.97 3a8m s THR 194 Ca 0.44 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.99 3a8m s THR 194 Cb 0.15 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.30 3a8m s THR 194 CO -0.06 0.00 1.10 -0.90 -2.21 0.00 0.00 174.62 172.55 3a8m n ASP 195 N 0.48 2.35 -1.52 8.08 5.68 -1.26 -5.06 116.55 125.31 3a8m n ASP 195 Ca -0.17 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.75 3a8m n ASP 195 Cb 0.59 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 3a8m n ASP 195 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a8m n GLY 196 N -0.62 1.77 0.78 6.12 0.00 -1.26 -5.08 105.19 106.91 3a8m n GLY 196 Ca 0.07 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 3a8m n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a8m n GLY 197 N 5.00 -0.10 3.21 -0.02 0.00 -1.26 -4.76 105.19 107.26 3a8m n GLY 197 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3a8m n GLY 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a8m s SER 198 N -5.35 0.18 -0.05 1.61 1.04 -1.26 -1.11 113.70 108.77 3a8m s SER 198 Ca -0.03 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.61 3a8m s SER 198 Cb 0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3a8m s SER 198 CO 0.05 -0.74 -0.10 -0.69 0.98 0.00 0.00 173.24 172.74 3a8m s VAL 199 N -3.91 0.94 -0.22 5.02 1.01 -0.14 -4.84 120.40 118.26 3a8m s VAL 199 Ca 0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3a8m s VAL 199 Cb 0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3a8m s VAL 199 CO -0.07 0.30 -0.02 -0.69 0.00 0.00 0.00 175.10 174.62 3a8m s VAL 200 N 0.56 3.59 -0.08 2.92 1.01 -1.26 -0.45 120.40 126.70 3a8m s VAL 200 Ca -0.11 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3a8m s VAL 200 Cb -0.14 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3a8m s VAL 200 CO 0.02 0.41 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 3a8m s VAL 201 N 1.45 3.63 -0.63 2.92 1.01 -0.18 -4.89 120.40 123.71 3a8m s VAL 201 Ca 0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 3a8m s VAL 201 Cb -0.14 -2.49 0.13 0.00 0.00 0.00 0.00 36.38 33.88 3a8m s VAL 201 CO -0.01 0.59 0.67 -0.62 0.00 0.00 0.00 175.10 175.72 3a8m s ASP 202 N -0.66 6.31 -0.14 3.32 2.15 -1.26 -0.80 116.67 125.59 3a8m s ASP 202 Ca 0.10 -1.80 -0.01 0.00 0.43 0.00 0.00 52.55 51.27 3a8m s ASP 202 Cb -0.11 -2.26 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 3a8m s ASP 202 CO 0.02 -0.94 -0.12 -0.76 -0.17 0.00 0.00 175.17 173.20 3a8m s LEU 203 N 1.91 2.75 0.54 -1.34 1.43 0.16 -4.82 118.68 119.32 3a8m s LEU 203 Ca 0.11 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 3a8m s LEU 203 Cb -0.23 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 3a8m s LEU 203 CO 0.02 0.15 1.10 0.49 0.23 0.00 0.00 176.35 178.34 3a8m n PHE 204 N 3.65 1.38 -0.33 0.29 3.01 -1.26 -0.81 117.46 123.40 3a8m n PHE 204 Ca -0.18 0.46 0.13 0.00 1.01 0.00 0.00 57.45 58.87 3a8m n PHE 204 Cb 0.52 -2.23 0.31 0.00 -0.01 0.00 0.00 39.48 38.07 3a8m n PHE 204 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3a8m h GLU 205 N 1.03 0.59 0.00 -1.08 4.81 -1.74 -1.25 114.58 116.94 3a8m h GLU 205 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3a8m h GLU 205 Cb 1.34 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3a8m h GLU 205 CO 0.54 0.39 0.00 0.41 -0.73 0.00 0.00 179.01 179.62 3a8m n GLY 206 N -1.33 -0.76 0.56 1.92 0.00 -1.26 -1.64 105.19 102.69 3a8m n GLY 206 Ca 0.22 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3a8m n GLY 206 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a8m n TYR 207 N -1.24 0.00 -4.43 1.61 4.01 -0.47 -4.92 117.16 111.72 3a8m n TYR 207 Ca 0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.57 3a8m n TYR 207 Cb 0.11 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 3a8m n TYR 207 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3a8m s LEU 208 N -2.16 2.57 0.07 7.72 1.43 -0.65 -0.38 118.68 127.28 3a8m s LEU 208 Ca 0.30 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 3a8m s LEU 208 Cb 0.20 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 3a8m s LEU 208 CO 0.39 0.08 0.09 -1.83 0.23 0.00 0.00 176.35 175.31 3a8m s GLU 209 N -3.09 0.75 0.46 1.70 -1.05 -0.48 -4.79 118.70 112.19 3a8m s GLU 209 Ca 0.26 -1.09 -0.25 0.00 -0.15 0.00 0.00 54.97 53.74 3a8m s GLU 209 Cb -0.07 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.83 3a8m s GLU 209 CO 0.13 -0.20 1.44 -2.14 0.95 0.00 0.00 175.26 175.43 3a8m s PRO 210 N -3.89 3.62 0.22 -4.83 0.02 -1.26 -0.91 135.00 127.97 3a8m s PRO 210 Ca 0.06 2.43 -0.24 0.00 0.02 0.00 0.00 61.00 63.27 3a8m s PRO 210 Cb 0.06 -2.62 -0.09 0.00 0.02 0.00 0.00 34.50 31.88 3a8m s PRO 210 CO -0.10 -0.87 0.81 0.00 -0.33 0.00 0.00 177.00 176.51 3a8m s ALA 211 N -1.20 3.38 0.00 -1.55 0.00 -0.84 -4.43 121.76 117.13 3a8m s ALA 211 Ca 0.62 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3a8m s ALA 211 Cb -0.44 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3a8m s ALA 211 CO 0.56 0.27 0.00 0.00 0.00 0.00 0.00 175.76 176.60