#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3civ s SER 6 N 0.00 1.87 -0.02 -1.84 1.04 -1.26 -4.89 113.70 108.60 3civ s SER 6 Ca 0.00 0.99 -0.22 0.00 0.48 0.00 0.00 55.95 57.21 3civ s SER 6 Cb 0.00 -1.52 -0.24 0.00 0.10 0.00 0.00 66.02 64.36 3civ s SER 6 CO 0.00 -3.58 1.05 0.00 0.98 0.00 0.00 173.24 171.69 3civ h ALA 7 N -2.20 0.04 0.00 5.32 0.00 -1.98 -3.06 119.26 117.38 3civ h ALA 7 Ca -0.52 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 53.76 3civ h ALA 7 Cb 1.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3civ h ALA 7 CO 0.49 0.27 -0.39 0.74 0.00 0.00 0.00 179.25 180.37 3civ h PHE 8 N -0.27 0.00 0.00 0.00 -1.00 -1.95 -2.85 116.94 110.87 3civ h PHE 8 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3civ h PHE 8 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 3civ h PHE 8 CO 0.16 0.39 -0.04 -0.25 -1.61 0.00 0.00 178.31 176.96 3civ n ASP 9 N -3.53 0.09 -4.71 2.17 8.00 -1.25 -4.92 116.55 112.40 3civ n ASP 9 Ca -0.00 0.44 -0.43 0.00 0.71 0.00 0.00 54.79 55.51 3civ n ASP 9 Cb 0.52 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3civ n ASP 9 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3civ n LEU 10 N -1.55 3.81 -4.77 0.64 7.94 -1.08 -4.94 117.00 117.05 3civ n LEU 10 Ca 0.07 1.16 -0.40 0.00 -1.11 0.00 0.00 56.01 55.73 3civ n LEU 10 Cb 0.35 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.78 3civ n LEU 10 CO 0.28 -0.17 1.03 -0.83 -1.11 0.00 0.00 177.39 176.59 3civ s GLY 11 N 0.29 2.93 0.12 -3.96 0.00 -1.26 -4.92 107.32 100.52 3civ s GLY 11 Ca 0.64 1.38 -0.35 0.00 0.00 0.00 0.00 44.72 46.39 3civ s GLY 11 CO 0.51 2.00 1.45 0.33 0.00 0.00 0.00 173.10 177.39 3civ n PHE 12 N 0.07 1.87 -2.75 1.90 7.35 -1.26 -4.89 117.46 119.75 3civ n PHE 12 Ca 0.04 0.46 -0.43 0.00 -0.76 0.00 0.00 57.45 56.76 3civ n PHE 12 Cb 0.42 -2.43 -0.03 0.00 0.35 0.00 0.00 39.48 37.79 3civ n PHE 12 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3civ s ILE 13 N 0.68 4.74 -0.58 -2.13 1.01 0.11 -4.98 121.20 120.06 3civ s ILE 13 Ca 0.82 1.85 0.03 0.00 0.00 0.00 0.00 60.65 63.35 3civ s ILE 13 Cb -0.82 -4.24 0.15 0.00 0.01 0.00 0.00 42.46 37.56 3civ s ILE 13 CO 0.43 -0.13 0.35 -0.13 0.00 0.00 0.00 174.94 175.45 3civ s ARG 14 N 3.03 2.21 0.34 2.79 0.52 -1.26 -1.05 118.95 125.53 3civ s ARG 14 Ca 0.41 -2.75 0.06 0.00 -0.52 0.00 0.00 55.73 52.92 3civ s ARG 14 Cb -0.15 -3.43 -0.07 0.00 0.52 0.00 0.00 34.95 31.82 3civ s ARG 14 CO 0.07 -1.15 -0.00 0.20 0.02 0.00 0.00 175.30 174.43 3civ s GLY 15 N -0.31 2.15 -0.03 -3.53 0.00 0.90 -0.76 107.32 105.73 3civ s GLY 15 Ca 0.19 -2.10 -0.02 0.00 0.00 0.00 0.00 44.72 42.79 3civ s GLY 15 CO -0.04 -1.93 0.08 -0.29 0.00 0.00 0.00 173.10 170.92 3civ s MET 16 N -3.76 0.07 0.10 2.90 1.75 -0.95 -1.23 119.30 118.18 3civ s MET 16 Ca 0.34 0.18 -0.26 0.00 -1.25 0.00 0.00 55.69 54.70 3civ s MET 16 Cb 0.07 -0.06 -0.07 0.00 2.84 0.00 0.00 34.83 37.62 3civ s MET 16 CO 0.15 -0.07 0.80 0.99 -0.65 0.00 0.00 175.02 176.24 3civ s THR 17 N 0.46 4.55 -0.04 10.11 2.01 0.04 -1.22 115.64 131.56 3civ s THR 17 Ca -0.04 1.72 0.05 0.00 0.31 0.00 0.00 61.69 63.73 3civ s THR 17 Cb -0.05 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 3civ s THR 17 CO -0.02 0.42 -0.17 0.12 -0.69 0.00 0.00 174.62 174.28 3civ s PHE 18 N -0.48 1.67 0.00 4.92 5.36 0.11 -0.14 117.98 129.42 3civ s PHE 18 Ca 0.39 -0.44 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 3civ s PHE 18 Cb -0.22 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 3civ s PHE 18 CO 0.25 -0.13 0.00 0.41 -1.46 0.00 0.00 175.22 174.29 3civ n GLY 19 N 3.02 0.76 3.77 13.12 0.00 -0.66 -2.58 105.19 122.62 3civ n GLY 19 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3civ n GLY 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3civ s PHE 20 N -2.75 2.76 -2.01 1.61 5.36 -1.18 -0.24 117.98 121.52 3civ s PHE 20 Ca 0.00 1.11 0.10 0.00 -0.96 0.00 0.00 56.93 57.18 3civ s PHE 20 Cb 0.00 -3.95 0.30 0.00 -0.34 0.00 0.00 43.02 39.03 3civ s PHE 20 CO 0.00 -2.89 1.25 1.33 -1.46 0.00 0.00 175.22 173.45 3civ n VAL 21 N 1.15 0.43 -3.27 3.12 0.24 -1.26 -4.82 118.33 113.92 3civ n VAL 21 Ca 0.03 -0.44 -0.15 0.00 -2.04 0.00 0.00 64.34 61.74 3civ n VAL 21 Cb 0.39 0.22 0.08 0.00 -1.47 0.00 0.00 33.84 33.06 3civ n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3civ n GLY 22 N 1.02 -0.31 3.76 7.63 0.00 0.66 -1.60 105.19 116.36 3civ n GLY 22 Ca 0.11 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3civ n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3civ s GLN 23 N -5.17 3.57 0.06 1.61 -0.21 -1.26 -0.88 119.66 117.37 3civ s GLN 23 Ca 0.02 2.13 -0.37 0.00 0.02 0.00 0.00 55.36 57.16 3civ s GLN 23 Cb -0.00 -2.47 -0.17 0.00 1.00 0.00 0.00 33.01 31.37 3civ s GLN 23 CO 0.65 -0.81 1.39 1.58 -2.12 0.00 0.00 175.29 175.97 3civ n HIS 24 N -0.50 1.59 0.00 0.91 -0.00 -1.09 -2.01 115.22 114.12 3civ n HIS 24 Ca 0.07 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.41 3civ n HIS 24 Cb 0.45 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 3civ n HIS 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3civ n GLY 25 N 2.70 3.21 0.23 1.57 0.00 -1.26 -4.87 105.19 106.76 3civ n GLY 25 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 3civ n GLY 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3civ h THR 26 N 0.00 1.27 0.00 2.61 1.35 -1.78 -2.96 112.91 113.41 3civ h THR 26 Ca 0.00 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 3civ h THR 26 Cb 0.00 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3civ h THR 26 CO 0.00 0.41 -0.37 0.79 -0.25 0.00 0.00 175.52 176.09 3civ n TRP 27 N -4.10 0.59 1.42 4.73 7.02 -1.26 -3.37 117.44 122.46 3civ n TRP 27 Ca -0.01 0.17 0.07 0.00 -1.02 0.00 0.00 57.50 56.71 3civ n TRP 27 Cb 0.42 -0.70 0.29 0.00 -2.42 0.00 0.00 31.31 28.90 3civ n TRP 27 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3civ n GLY 28 N 1.35 -0.10 3.91 6.99 0.00 -1.12 -4.65 105.19 111.58 3civ n GLY 28 Ca 0.04 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 3civ n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3civ s THR 29 N -1.80 4.97 0.31 2.61 -4.23 -1.22 -4.99 115.64 111.29 3civ s THR 29 Ca 0.24 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 3civ s THR 29 Cb 0.12 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.44 3civ s THR 29 CO 0.18 -0.55 1.94 0.44 -0.54 0.00 0.00 174.62 176.09 3civ h ASP 30 N 1.00 0.89 -0.35 3.99 3.32 -1.91 -2.72 116.42 120.63 3civ h ASP 30 Ca -0.48 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.61 3civ h ASP 30 Cb 1.20 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 3civ h ASP 30 CO 0.63 0.60 0.12 -0.33 -1.72 0.00 0.00 179.24 178.54 3civ h GLU 31 N 1.03 0.25 -0.44 3.56 3.07 -1.91 -0.48 114.58 119.65 3civ h GLU 31 Ca 0.34 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.19 3civ h GLU 31 Cb 0.07 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3civ h GLU 31 CO -0.11 0.17 0.27 0.00 -1.40 0.00 0.00 179.01 177.94 3civ h ALA 32 N 1.23 0.56 -0.67 3.43 0.00 -1.20 0.18 119.26 122.79 3civ h ALA 32 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3civ h ALA 32 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3civ h ALA 32 CO -0.17 0.04 0.39 0.00 0.00 0.00 0.00 179.25 179.51 3civ h ARG 33 N 0.59 0.91 -0.64 0.00 3.08 -1.25 0.25 114.38 117.32 3civ h ARG 33 Ca 0.16 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3civ h ARG 33 Cb -0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3civ h ARG 33 CO -0.03 0.66 0.06 0.00 -1.07 0.00 0.00 179.97 179.59 3civ h ALA 34 N 1.20 0.86 -0.64 0.04 0.00 -0.78 -2.12 119.26 117.82 3civ h ALA 34 Ca 0.24 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3civ h ALA 34 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3civ h ALA 34 CO -0.04 0.66 0.06 1.03 0.00 0.00 0.00 179.25 180.96 3civ h SER 35 N 1.01 1.06 -0.62 0.00 0.87 -0.24 -1.69 113.55 113.93 3civ h SER 35 Ca 0.19 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 3civ h SER 35 Cb 0.49 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3civ h SER 35 CO 0.02 1.08 0.09 -0.03 -0.53 0.00 0.00 176.83 177.45 3civ h MET 36 N 1.00 1.03 -0.76 2.24 -1.53 -0.89 -0.71 114.93 115.31 3civ h MET 36 Ca 0.19 -0.28 0.03 0.00 -3.44 0.00 0.00 59.70 56.20 3civ h MET 36 Cb 0.50 -0.12 -0.05 0.00 -0.55 0.00 0.00 31.60 31.38 3civ h MET 36 CO 0.02 0.97 0.48 0.00 0.14 0.00 0.00 176.91 178.52 3civ h ARG 37 N 0.94 0.91 -0.44 0.39 3.08 -1.16 -0.84 114.38 117.25 3civ h ARG 37 Ca 0.19 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3civ h ARG 37 Cb 0.45 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3civ h ARG 37 CO 0.01 0.60 0.09 0.00 -1.07 0.00 0.00 179.97 179.61 3civ h ALA 38 N 1.33 0.58 -0.34 0.04 0.00 -0.97 -2.71 119.26 117.18 3civ h ALA 38 Ca 0.31 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3civ h ALA 38 Cb 0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3civ h ALA 38 CO -0.12 0.29 -0.00 1.25 0.00 0.00 0.00 179.25 180.67 3civ h LEU 39 N 0.59 -0.14 -1.37 0.00 6.46 -0.81 -2.37 115.31 117.66 3civ h LEU 39 Ca 0.14 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3civ h LEU 39 Cb 0.35 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 3civ h LEU 39 CO 0.01 -0.03 0.00 0.00 -0.62 0.00 0.00 178.44 177.79 3civ h ALA 40 N 1.29 1.00 0.00 1.25 0.00 -0.95 -1.81 119.26 120.05 3civ h ALA 40 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3civ h ALA 40 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3civ h ALA 40 CO -0.28 0.00 0.00 0.93 0.00 0.00 0.00 179.25 179.90 3civ h GLU 41 N 0.00 0.00 -7.33 0.00 5.08 -1.11 -3.45 114.58 107.76 3civ h GLU 41 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3civ h GLU 41 Cb 0.22 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.53 3civ h GLU 41 CO 0.00 0.00 0.40 -0.65 -1.00 0.00 0.00 179.01 177.76 3civ s GLN 42 N -3.28 3.46 -0.89 2.33 -1.52 -0.68 -4.93 119.66 114.14 3civ s GLN 42 Ca 0.06 0.84 -0.07 0.00 -1.95 0.00 0.00 55.36 54.25 3civ s GLN 42 Cb 0.07 -2.06 -0.10 0.00 -0.22 0.00 0.00 33.01 30.70 3civ s GLN 42 CO 0.62 -0.68 2.57 -0.35 -0.25 0.00 0.00 175.29 177.19 3civ n PRO 43 N -2.69 2.42 -3.95 2.91 -0.04 -1.26 -4.86 135.00 127.54 3civ n PRO 43 Ca 0.07 -1.49 -0.36 0.00 -0.04 0.00 0.00 63.50 61.67 3civ n PRO 43 Cb 0.54 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.53 3civ n PRO 43 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3civ s PHE 44 N 2.51 3.49 -1.25 0.54 0.08 -1.26 -4.68 117.98 117.42 3civ s PHE 44 Ca 0.52 0.43 0.19 0.00 0.12 0.00 0.00 56.93 58.18 3civ s PHE 44 Cb 0.16 -1.95 -0.12 0.00 -0.57 0.00 0.00 43.02 40.55 3civ s PHE 44 CO -0.03 0.61 0.86 0.27 -0.10 0.00 0.00 175.22 176.83 3civ n ASN 45 N 2.27 1.28 -4.10 1.36 6.94 0.06 -4.89 115.26 118.19 3civ n ASN 45 Ca -0.19 -1.14 -0.16 0.00 -0.02 0.00 0.00 54.58 53.07 3civ n ASN 45 Cb 0.54 0.77 -0.12 0.00 -2.36 0.00 0.00 39.78 38.62 3civ n ASN 45 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3civ s TRP 46 N -2.49 0.90 -0.00 -2.53 0.52 -1.10 -1.30 118.94 112.94 3civ s TRP 46 Ca 0.11 -0.45 0.04 0.00 0.02 0.00 0.00 56.10 55.82 3civ s TRP 46 Cb 0.15 -0.52 -0.01 0.00 -1.15 0.00 0.00 33.47 31.93 3civ s TRP 46 CO 0.64 -0.02 -0.12 0.54 0.02 0.00 0.00 176.95 178.00 3civ s VAL 47 N -1.21 0.98 -0.22 4.03 0.11 -0.18 -2.24 120.40 121.67 3civ s VAL 47 Ca -0.05 -0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 58.33 3civ s VAL 47 Cb -0.09 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3civ s VAL 47 CO 0.01 0.22 0.02 -0.89 -3.33 0.00 0.00 175.10 171.12 3civ s THR 48 N -0.40 3.99 -0.51 5.04 2.01 -0.36 -1.06 115.64 124.35 3civ s THR 48 Ca 0.04 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.54 3civ s THR 48 Cb -0.05 -2.83 0.05 0.00 0.01 0.00 0.00 72.50 69.68 3civ s THR 48 CO -0.00 0.40 0.74 -0.76 -0.69 0.00 0.00 174.62 174.31 3civ s LEU 49 N 1.28 4.57 -0.08 4.42 1.43 -0.06 0.06 118.68 130.30 3civ s LEU 49 Ca 0.04 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3civ s LEU 49 Cb -0.15 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 3civ s LEU 49 CO 0.01 -0.99 -0.11 0.00 0.23 0.00 0.00 176.35 175.49 3civ s ALA 50 N 3.14 2.77 0.14 4.21 0.00 -1.07 -1.31 121.76 129.65 3civ s ALA 50 Ca 0.22 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 3civ s ALA 50 Cb -0.16 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.84 3civ s ALA 50 CO 0.16 0.45 0.43 -0.59 0.00 0.00 0.00 175.76 176.22 3civ s PHE 51 N -0.39 -0.19 -0.11 0.00 -0.71 -0.99 -3.12 117.98 112.47 3civ s PHE 51 Ca 0.05 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 55.84 3civ s PHE 51 Cb -0.12 0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.99 3civ s PHE 51 CO 0.02 -0.75 -0.18 0.00 -1.34 0.00 0.00 175.22 172.97 3civ s ALA 52 N -3.82 1.84 0.95 1.99 0.00 -0.63 -1.02 121.76 121.08 3civ s ALA 52 Ca 0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 3civ s ALA 52 Cb 0.01 -0.83 0.16 0.00 0.00 0.00 0.00 23.12 22.46 3civ s ALA 52 CO -0.10 0.02 1.10 0.20 0.00 0.00 0.00 175.76 176.98 3civ s GLY 53 N 0.79 1.58 -0.05 0.00 0.00 0.47 -4.76 107.32 105.35 3civ s GLY 53 Ca -0.10 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.37 3civ s GLY 53 CO 0.01 0.27 -0.19 1.08 0.00 0.00 0.00 173.10 174.27 3civ s LEU 54 N -6.31 1.95 -0.04 0.66 1.43 0.63 -1.03 118.68 115.97 3civ s LEU 54 Ca 0.64 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3civ s LEU 54 Cb -0.18 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 3civ s LEU 54 CO 0.57 0.17 0.11 -0.04 0.23 0.00 0.00 176.35 177.38 3civ s MET 55 N 0.06 3.21 0.18 1.70 -1.94 -0.13 -0.58 119.30 121.80 3civ s MET 55 Ca -0.06 -0.37 -0.10 0.00 -1.71 0.00 0.00 55.69 53.45 3civ s MET 55 Cb -0.13 -2.97 0.07 0.00 2.01 0.00 0.00 34.83 33.82 3civ s MET 55 CO 0.03 0.69 1.67 0.93 -0.01 0.00 0.00 175.02 178.33 3civ h GLU 56 N 4.33 1.01 -3.64 2.03 4.39 -1.87 0.16 114.58 120.99 3civ h GLU 56 Ca -0.50 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 58.86 3civ h GLU 56 Cb 1.19 -0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.59 3civ h GLU 56 CO 0.62 0.94 -0.24 -1.01 -1.16 0.00 0.00 179.01 178.17 3civ s HIS 57 N -5.22 0.04 -1.50 4.33 3.76 -1.26 -3.46 115.29 111.97 3civ s HIS 57 Ca -0.12 -0.42 0.14 0.00 -0.15 0.00 0.00 55.06 54.51 3civ s HIS 57 Cb 0.13 0.08 0.73 0.00 1.11 0.00 0.00 32.58 34.63 3civ s HIS 57 CO 0.83 -0.64 1.36 -0.35 -0.85 0.00 0.00 174.74 175.10 3civ n PRO 58 N -0.15 0.23 -0.15 8.40 -0.04 -1.26 -2.15 135.00 139.88 3civ n PRO 58 Ca -0.14 0.13 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 3civ n PRO 58 Cb 0.63 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.71 3civ n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3civ n GLY 59 N -0.10 3.31 3.60 0.55 0.00 -1.26 -1.65 105.19 109.64 3civ n GLY 59 Ca 0.07 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 3civ n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3civ s ASP 60 N -1.38 6.28 0.00 1.61 -1.08 -0.91 -4.86 116.67 116.33 3civ s ASP 60 Ca 0.20 0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.73 3civ s ASP 60 Cb 0.14 -2.22 1.04 0.00 -1.46 0.00 0.00 42.92 40.41 3civ s ASP 60 CO 0.08 -0.23 1.78 -0.81 0.52 0.00 0.00 175.17 176.51 3civ n PRO 61 N 5.40 0.00 -2.68 4.34 -0.04 -1.26 -4.81 135.00 135.95 3civ n PRO 61 Ca -0.08 0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 3civ n PRO 61 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 3civ n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3civ s ALA 62 N -3.00 3.28 -0.13 0.55 0.00 -1.26 -4.24 121.76 116.97 3civ s ALA 62 Ca 0.12 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3civ s ALA 62 Cb 0.16 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 20.01 3civ s ALA 62 CO 0.44 -0.04 -0.18 0.42 0.00 0.00 0.00 175.76 176.41 3civ s ILE 63 N -0.20 1.75 -0.25 0.00 1.01 -1.26 -4.49 121.20 117.78 3civ s ILE 63 Ca 0.47 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 3civ s ILE 63 Cb -0.25 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 3civ s ILE 63 CO 0.31 0.49 0.29 0.00 0.00 0.00 0.00 174.94 176.03 3civ s ALA 64 N 0.96 3.57 0.25 9.38 0.00 0.26 -4.90 121.76 131.27 3civ s ALA 64 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3civ s ALA 64 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 3civ s ALA 64 CO -0.03 -0.42 0.22 1.52 0.00 0.00 0.00 175.76 177.06 3civ s TYR 65 N 1.54 1.24 0.16 0.00 1.13 -1.26 -0.27 117.35 119.89 3civ s TYR 65 Ca 0.12 -1.39 0.00 0.00 -1.41 0.00 0.00 57.07 54.39 3civ s TYR 65 Cb -0.15 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.21 3civ s TYR 65 CO 0.08 -0.76 0.00 0.41 -2.51 0.00 0.00 175.55 172.77 3civ n GLY 66 N -0.39 -1.78 3.75 5.49 0.00 -1.26 -4.77 105.19 106.23 3civ n GLY 66 Ca 0.03 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 3civ n GLY 66 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3civ s PRO 67 N -1.87 3.23 0.00 1.61 0.02 -1.21 -0.73 135.00 136.05 3civ s PRO 67 Ca 0.00 2.28 0.11 0.00 0.02 0.00 0.00 61.00 63.42 3civ s PRO 67 Cb 0.00 -2.33 0.32 0.00 0.02 0.00 0.00 34.50 32.51 3civ s PRO 67 CO 0.00 -1.14 1.27 -0.35 -0.33 0.00 0.00 177.00 176.45 3civ n PRO 68 N -0.88 1.84 -0.06 5.54 -0.04 -1.26 -4.85 135.00 135.28 3civ n PRO 68 Ca 0.09 -1.31 -0.04 0.00 -0.04 0.00 0.00 63.50 62.21 3civ n PRO 68 Cb 0.44 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 3civ n PRO 68 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3civ h VAL 69 N 2.12 0.21 -1.47 0.52 2.07 -1.39 -3.40 116.25 114.91 3civ h VAL 69 Ca 0.00 -1.18 -0.47 0.00 0.82 0.00 0.00 66.70 65.87 3civ h VAL 69 Cb 0.49 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3civ h VAL 69 CO 0.00 0.07 -0.33 0.42 0.02 0.00 0.00 177.57 177.75 3civ s THR 70 N -1.86 2.76 0.37 2.57 -4.23 0.09 -2.68 115.64 112.65 3civ s THR 70 Ca -0.08 -1.22 -0.25 0.00 -1.18 0.00 0.00 61.69 58.97 3civ s THR 70 Cb 0.01 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.73 3civ s THR 70 CO 0.16 0.00 0.71 1.33 -0.54 0.00 0.00 174.62 176.28 3civ n VAL 71 N -1.66 1.94 -1.43 2.29 0.24 -0.06 -3.31 118.33 116.33 3civ n VAL 71 Ca 0.05 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 3civ n VAL 71 Cb 0.61 -0.67 0.10 0.00 -1.47 0.00 0.00 33.84 32.41 3civ n VAL 71 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3civ s SER 72 N -0.84 4.35 0.36 -1.34 1.04 -1.26 -4.44 113.70 111.58 3civ s SER 72 Ca 0.62 1.45 0.08 0.00 0.48 0.00 0.00 55.95 58.58 3civ s SER 72 Cb -0.66 -2.19 0.80 0.00 0.10 0.00 0.00 66.02 64.07 3civ s SER 72 CO 0.58 -2.08 1.89 0.44 0.98 0.00 0.00 173.24 175.06 3civ h ASP 73 N -1.16 0.66 -0.57 7.02 3.32 -1.99 -1.45 116.42 122.25 3civ h ASP 73 Ca -0.47 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.52 3civ h ASP 73 Cb 1.26 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3civ h ASP 73 CO 0.57 0.36 -0.02 -0.78 -1.72 0.00 0.00 179.24 177.65 3civ h ASP 74 N 0.71 1.00 -0.80 6.45 3.58 -1.99 -1.18 116.42 124.20 3civ h ASP 74 Ca 0.42 -0.32 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 3civ h ASP 74 Cb 0.61 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 3civ h ASP 74 CO -0.18 1.08 0.40 -0.33 -2.88 0.00 0.00 179.24 177.32 3civ h GLU 75 N 0.90 1.15 0.01 0.28 5.08 -1.73 0.14 114.58 120.41 3civ h GLU 75 Ca 0.16 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3civ h GLU 75 Cb 0.58 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3civ h GLU 75 CO 0.03 0.88 -0.01 0.82 -1.00 0.00 0.00 179.01 179.74 3civ h ILE 76 N 1.13 1.07 -0.88 3.13 2.04 -1.19 -1.63 117.51 121.18 3civ h ILE 76 Ca 0.28 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 66.00 3civ h ILE 76 Cb 0.10 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 3civ h ILE 76 CO -0.04 0.06 0.52 0.00 0.00 0.00 0.00 178.15 178.69 3civ h ALA 77 N 0.87 1.27 -0.27 1.87 0.00 -1.00 0.99 119.26 122.99 3civ h ALA 77 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3civ h ALA 77 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3civ h ALA 77 CO 0.00 0.15 0.14 0.77 0.00 0.00 0.00 179.25 180.31 3civ h SER 78 N 0.87 0.34 -0.37 0.00 0.02 -0.48 0.27 113.55 114.20 3civ h SER 78 Ca 0.42 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3civ h SER 78 Cb 0.38 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3civ h SER 78 CO -0.25 0.35 -0.04 0.24 -1.14 0.00 0.00 176.83 176.00 3civ h MET 79 N 0.31 0.68 -0.62 3.45 2.07 -0.95 -1.20 114.93 118.68 3civ h MET 79 Ca 0.09 -0.24 0.02 0.00 -2.07 0.00 0.00 59.70 57.51 3civ h MET 79 Cb 0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.73 3civ h MET 79 CO -0.01 0.80 0.39 0.00 1.07 0.00 0.00 176.91 179.16 3civ h ALA 80 N 0.85 0.79 -0.38 6.32 0.00 -0.72 -0.45 119.26 125.67 3civ h ALA 80 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3civ h ALA 80 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3civ h ALA 80 CO 0.03 0.16 0.16 1.49 0.00 0.00 0.00 179.25 181.09 3civ h GLU 81 N 0.78 0.56 0.20 0.00 4.81 -0.86 -0.60 114.58 119.47 3civ h GLU 81 Ca 0.24 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3civ h GLU 81 Cb -0.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3civ h GLU 81 CO -0.08 0.53 -0.10 1.25 -0.73 0.00 0.00 179.01 179.88 3civ h LEU 82 N 0.47 -0.23 -0.56 1.64 5.85 -1.03 -1.23 115.31 120.23 3civ h LEU 82 Ca 0.13 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3civ h LEU 82 Cb 0.17 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3civ h LEU 82 CO -0.01 -0.08 0.23 0.00 -0.34 0.00 0.00 178.44 178.24 3civ h ALA 83 N 0.42 0.71 -0.91 1.25 0.00 -1.01 -1.21 119.26 118.52 3civ h ALA 83 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3civ h ALA 83 Cb 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3civ h ALA 83 CO 0.04 -0.16 0.54 0.45 0.00 0.00 0.00 179.25 180.13 3civ h HIS 84 N 0.44 1.20 0.00 0.00 3.86 -1.04 -0.93 115.15 118.67 3civ h HIS 84 Ca 0.27 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3civ h HIS 84 Cb 0.27 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 3civ h HIS 84 CO -0.14 0.80 -0.16 0.00 0.86 0.00 0.00 177.93 179.29 3civ h ALA 85 N 1.34 1.04 -0.10 2.45 0.00 -0.53 -2.33 119.26 121.14 3civ h ALA 85 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3civ h ALA 85 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3civ h ALA 85 CO -0.06 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.67 3civ n LEU 86 N -3.34 1.74 0.00 0.00 4.77 -0.52 -4.94 117.00 114.71 3civ n LEU 86 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3civ n LEU 86 Cb 0.38 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3civ n LEU 86 CO 0.31 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3civ n GLY 87 N 1.18 0.81 3.86 -0.72 0.00 -0.87 -5.02 105.19 104.42 3civ n GLY 87 Ca 0.18 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3civ n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3civ s LEU 88 N 0.00 4.33 0.39 0.99 1.43 -0.43 -4.95 118.68 120.45 3civ s LEU 88 Ca 0.00 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 53.84 3civ s LEU 88 Cb 0.00 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 3civ s LEU 88 CO 0.00 0.13 0.83 -0.54 0.23 0.00 0.00 176.35 177.00 3civ s LYS 89 N -1.99 4.01 -0.10 1.70 1.02 -0.42 -3.89 119.74 120.07 3civ s LYS 89 Ca 0.36 0.79 0.02 0.00 0.02 0.00 0.00 55.97 57.16 3civ s LYS 89 Cb -0.14 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3civ s LYS 89 CO 0.19 0.01 -0.17 0.08 -0.92 0.00 0.00 175.35 174.54 3civ s VAL 90 N -2.19 1.57 -0.19 3.17 1.01 -1.26 -1.01 120.40 121.49 3civ s VAL 90 Ca 0.56 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3civ s VAL 90 Cb -0.10 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3civ s VAL 90 CO 0.21 0.45 0.07 0.00 0.00 0.00 0.00 175.10 175.83 3civ s LEU 92 N 0.51 4.21 -0.49 0.00 2.96 -0.35 -0.88 118.68 124.64 3civ s LEU 92 Ca 0.04 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 3civ s LEU 92 Cb -0.13 -2.41 0.16 0.00 0.50 0.00 0.00 46.19 44.32 3civ s LEU 92 CO 0.01 0.04 0.34 -0.75 -1.32 0.00 0.00 176.35 174.67 3civ s LYS 93 N 0.75 1.37 0.33 1.98 2.20 -0.42 -1.09 119.74 124.86 3civ s LYS 93 Ca 0.17 -2.32 -0.27 0.00 -0.36 0.00 0.00 55.97 53.19 3civ s LYS 93 Cb -0.14 -2.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.94 3civ s LYS 93 CO 0.05 -1.29 1.06 -2.14 -0.36 0.00 0.00 175.35 172.68 3civ s PRO 94 N -0.15 4.43 0.01 4.03 0.02 -1.26 -2.34 135.00 139.74 3civ s PRO 94 Ca 0.25 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3civ s PRO 94 Cb -0.08 -2.88 -0.00 0.00 0.02 0.00 0.00 34.50 31.55 3civ s PRO 94 CO -0.12 0.07 0.01 -2.37 -0.33 0.00 0.00 177.00 174.27 3civ n THR 95 N 0.61 0.00 -4.63 0.99 5.66 -0.19 -4.62 114.28 112.10 3civ n THR 95 Ca 0.02 -0.08 -0.23 0.00 -3.05 0.00 0.00 64.05 60.71 3civ n THR 95 Cb 0.47 0.04 -0.15 0.00 -1.55 0.00 0.00 70.33 69.14 3civ n THR 95 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3civ s VAL 96 N -2.22 1.10 0.29 1.08 -7.23 -1.26 -0.40 120.40 111.76 3civ s VAL 96 Ca 0.01 -0.57 0.11 0.00 -1.81 0.00 0.00 61.98 59.73 3civ s VAL 96 Cb 0.00 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 3civ s VAL 96 CO 0.01 0.32 -0.14 0.20 -0.31 0.00 0.00 175.10 175.18 3civ s ASN 97 N -0.12 3.82 -0.15 4.85 0.01 -0.20 -4.63 114.94 118.53 3civ s ASN 97 Ca 0.01 -0.97 -0.05 0.00 -0.71 0.00 0.00 52.86 51.14 3civ s ASN 97 Cb -0.08 -0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.12 3civ s ASN 97 CO 0.00 -0.00 0.03 0.00 -1.51 0.00 0.00 177.10 175.62 3civ h ARG 99 N 6.16 0.00 -0.00 0.00 3.08 -0.75 -0.87 114.38 122.00 3civ h ARG 99 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3civ h ARG 99 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3civ h ARG 99 CO 0.64 0.08 -0.03 -0.40 -1.07 0.00 0.00 179.97 179.18 3civ n ASP 100 N -3.98 0.31 0.00 7.04 5.75 -1.22 -4.91 116.55 119.54 3civ n ASP 100 Ca -0.03 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 3civ n ASP 100 Cb 0.17 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3civ n ASP 100 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3civ n GLY 101 N 1.16 0.54 3.73 6.12 0.00 -0.33 -5.05 105.19 111.36 3civ n GLY 101 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3civ n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3civ s THR 102 N -2.22 2.13 0.30 2.61 2.01 -1.26 -4.91 115.64 114.30 3civ s THR 102 Ca 0.00 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 3civ s THR 102 Cb 0.00 -3.06 -0.11 0.00 0.01 0.00 0.00 72.50 69.34 3civ s THR 102 CO 0.00 0.01 1.51 0.86 -0.69 0.00 0.00 174.62 176.31 3civ s TRP 103 N 0.86 2.80 0.60 4.92 -0.00 -1.26 -3.87 118.94 123.00 3civ s TRP 103 Ca 0.71 0.97 0.41 0.00 -0.00 0.00 0.00 56.10 58.19 3civ s TRP 103 Cb -0.48 -3.97 2.21 0.00 -0.00 0.00 0.00 33.47 31.23 3civ s TRP 103 CO 0.36 -3.11 2.31 0.07 -0.00 0.00 0.00 176.95 176.58 3civ h ARG 104 N 4.39 0.00 0.00 5.86 0.11 -1.89 -0.94 114.38 121.90 3civ h ARG 104 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 3civ h ARG 104 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3civ h ARG 104 CO 0.75 0.01 0.00 0.41 0.10 0.00 0.00 179.97 181.23 3civ n GLY 105 N -1.02 -0.83 0.05 0.08 0.00 -1.20 -3.03 105.19 99.24 3civ n GLY 105 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3civ n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3civ n GLU 106 N -1.24 2.97 -1.73 1.61 1.02 -0.36 -2.53 120.64 120.37 3civ n GLU 106 Ca 0.09 -1.54 -0.39 0.00 -0.02 0.00 0.00 57.16 55.31 3civ n GLU 106 Cb 0.13 -1.02 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 3civ n GLU 106 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3civ n ILE 107 N -0.42 3.78 -3.58 -3.67 -5.35 -1.17 -5.00 119.36 103.95 3civ n ILE 107 Ca 0.01 -0.50 -0.16 0.00 -0.27 0.00 0.00 62.75 61.83 3civ n ILE 107 Cb 0.26 -1.62 -0.07 0.00 -1.74 0.00 0.00 39.64 36.48 3civ n ILE 107 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3civ s ARG 108 N -2.85 0.94 0.04 6.28 3.52 -0.66 -4.69 118.95 121.53 3civ s ARG 108 Ca 0.72 0.66 0.05 0.00 -0.13 0.00 0.00 55.73 57.03 3civ s ARG 108 Cb -0.42 0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 3civ s ARG 108 CO 0.49 -0.20 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.57 3civ s PHE 109 N -0.33 1.28 -0.56 5.12 0.40 -1.26 -4.09 117.98 118.54 3civ s PHE 109 Ca -0.05 -0.36 0.26 0.00 -0.60 0.00 0.00 56.93 56.18 3civ s PHE 109 Cb -0.03 -0.76 0.81 0.00 0.51 0.00 0.00 43.02 43.55 3civ s PHE 109 CO 0.05 0.04 1.75 0.93 0.70 0.00 0.00 175.22 178.69 3civ h GLU 110 N 4.90 0.00 -5.05 0.44 5.08 -1.96 -3.45 114.58 114.55 3civ h GLU 110 Ca -0.39 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.55 3civ h GLU 110 Cb 1.18 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.16 3civ h GLU 110 CO 0.44 0.00 -0.79 0.15 -1.00 0.00 0.00 179.01 177.81 3civ s LYS 111 N -3.21 0.88 0.02 2.33 -0.14 -1.26 -5.05 119.74 113.31 3civ s LYS 111 Ca 0.08 -0.53 -0.21 0.00 -1.36 0.00 0.00 55.97 53.95 3civ s LYS 111 Cb 0.10 -0.85 -0.18 0.00 -1.68 0.00 0.00 37.83 35.22 3civ s LYS 111 CO 0.56 0.22 1.23 1.49 -0.76 0.00 0.00 175.35 178.09 3civ h GLU 112 N 5.48 0.36 -6.15 1.68 4.81 -1.92 -1.00 114.58 117.84 3civ h GLU 112 Ca -0.34 -0.26 -0.60 0.00 -0.13 0.00 0.00 59.36 58.03 3civ h GLU 112 Cb 1.18 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 3civ h GLU 112 CO 0.47 0.88 -0.72 -1.01 -0.73 0.00 0.00 179.01 177.90 3civ s HIS 113 N -3.81 2.38 0.00 0.92 3.76 -1.26 -1.11 115.29 116.17 3civ s HIS 113 Ca -0.14 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 3civ s HIS 113 Cb 0.04 -1.12 0.00 0.00 1.11 0.00 0.00 32.58 32.62 3civ s HIS 113 CO 0.77 0.67 0.00 0.41 -0.85 0.00 0.00 174.74 175.74 3civ n GLY 114 N -0.71 2.07 0.29 -2.22 0.00 -1.26 -4.82 105.19 98.54 3civ n GLY 114 Ca -0.05 -0.50 0.17 0.00 0.00 0.00 0.00 46.02 45.64 3civ n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3civ h PRO 115 N 0.00 0.00 -0.36 1.61 0.13 -1.97 -2.19 132.00 129.22 3civ h PRO 115 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3civ h PRO 115 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3civ h PRO 115 CO 0.00 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 177.43 3civ n ASP 116 N -3.35 3.46 -4.95 1.44 5.75 -1.26 -4.76 116.55 112.88 3civ n ASP 116 Ca -0.02 -2.38 -0.21 0.00 -0.01 0.00 0.00 54.79 52.17 3civ n ASP 116 Cb 0.21 -0.38 0.01 0.00 -1.03 0.00 0.00 41.12 39.93 3civ n ASP 116 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3civ s LEU 117 N -1.69 3.21 -1.13 -2.12 1.43 -0.82 -5.03 118.68 112.53 3civ s LEU 117 Ca 0.33 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 3civ s LEU 117 Cb 0.22 -1.86 0.13 0.00 0.03 0.00 0.00 46.19 44.71 3civ s LEU 117 CO 0.15 -0.95 1.40 -1.61 0.23 0.00 0.00 176.35 175.56 3civ s GLU 118 N -4.34 3.89 0.31 1.70 2.02 -1.26 -4.73 118.70 116.28 3civ s GLU 118 Ca 0.50 -2.13 0.11 0.00 0.02 0.00 0.00 54.97 53.47 3civ s GLU 118 Cb -0.05 -5.12 -0.05 0.00 0.10 0.00 0.00 34.13 29.00 3civ s GLU 118 CO 0.30 -1.89 -0.13 -1.54 0.02 0.00 0.00 175.26 172.02 3civ s SER 119 N 3.47 3.76 0.30 -0.19 1.04 -1.26 -3.94 113.70 116.88 3civ s SER 119 Ca 0.42 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3civ s SER 119 Cb -0.02 -0.38 0.51 0.00 0.10 0.00 0.00 66.02 66.23 3civ s SER 119 CO -0.02 -0.07 1.92 -0.50 0.98 0.00 0.00 173.24 175.55 3civ h TRP 120 N 2.12 1.05 -0.05 5.02 4.06 -1.14 -1.94 115.95 125.06 3civ h TRP 120 Ca -0.41 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.60 3civ h TRP 120 Cb 1.26 -0.35 -0.04 0.00 -1.00 0.00 0.00 29.16 29.03 3civ h TRP 120 CO 0.78 0.57 -0.17 1.49 -3.56 0.00 0.00 178.44 177.55 3civ h GLU 121 N 1.05 -0.24 -0.56 0.49 4.81 -1.37 0.25 114.58 119.01 3civ h GLU 121 Ca 0.38 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3civ h GLU 121 Cb 0.14 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3civ h GLU 121 CO -0.13 -0.16 0.30 0.00 -0.73 0.00 0.00 179.01 178.29 3civ h ALA 122 N 0.73 0.72 -0.39 2.92 0.00 -1.67 -0.84 119.26 120.72 3civ h ALA 122 Ca 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3civ h ALA 122 Cb 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3civ h ALA 122 CO -0.20 0.25 0.08 2.35 0.00 0.00 0.00 179.25 181.73 3civ h TRP 123 N 0.76 0.68 -0.06 0.00 7.01 -1.15 -2.45 115.95 120.73 3civ h TRP 123 Ca 0.20 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 3civ h TRP 123 Cb 0.06 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 3civ h TRP 123 CO -0.01 0.67 -0.28 0.74 -2.79 0.00 0.00 178.44 176.77 3civ h PHE 124 N 0.49 0.12 -0.06 2.65 0.04 -0.81 0.15 116.94 119.52 3civ h PHE 124 Ca 0.12 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.91 3civ h PHE 124 Cb 0.35 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.42 3civ h PHE 124 CO 0.02 0.38 -0.23 0.78 -0.60 0.00 0.00 178.31 178.66 3civ h GLY 125 N 0.94 -0.29 1.06 -1.45 0.00 -0.88 0.38 103.07 102.83 3civ h GLY 125 Ca 0.01 0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 3civ h GLY 125 CO 0.04 -0.20 0.21 1.76 0.00 0.00 0.00 176.54 178.35 3civ h SER 126 N -0.33 1.06 -0.19 0.19 0.02 -0.94 -1.93 113.55 111.43 3civ h SER 126 Ca 0.08 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 3civ h SER 126 Cb 0.45 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3civ h SER 126 CO -0.25 1.00 -0.23 0.22 -1.14 0.00 0.00 176.83 176.43 3civ h TYR 127 N 1.07 0.59 -0.52 3.45 3.20 -0.52 -1.66 116.97 122.57 3civ h TYR 127 Ca 0.23 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3civ h TYR 127 Cb 0.33 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3civ h TYR 127 CO 0.03 0.87 0.31 1.03 -1.64 0.00 0.00 178.16 178.75 3civ h SER 128 N 0.14 0.63 -0.43 -2.11 0.87 -0.23 0.37 113.55 112.79 3civ h SER 128 Ca 0.02 -0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3civ h SER 128 Cb 0.79 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.53 3civ h SER 128 CO 0.05 0.51 0.10 0.44 -0.53 0.00 0.00 176.83 177.40 3civ h ASP 129 N 0.70 0.04 -0.06 6.23 3.32 -1.28 0.45 116.42 125.81 3civ h ASP 129 Ca 0.19 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3civ h ASP 129 Cb 0.00 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3civ h ASP 129 CO -0.03 0.06 0.03 -0.03 -1.72 0.00 0.00 179.24 177.54 3civ h MET 130 N 0.24 0.09 -0.82 3.56 4.05 -0.86 -2.05 114.93 119.14 3civ h MET 130 Ca 0.21 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.58 3civ h MET 130 Cb 0.25 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 3civ h MET 130 CO -0.26 0.20 0.36 0.52 0.23 0.00 0.00 176.91 177.96 3civ h MET 131 N -0.04 1.20 -0.61 0.39 2.86 -0.72 -1.63 114.93 116.38 3civ h MET 131 Ca 0.02 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3civ h MET 131 Cb 0.14 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 3civ h MET 131 CO -0.00 0.94 0.38 0.00 1.06 0.00 0.00 176.91 179.29 3civ h ALA 132 N 1.21 0.78 -0.07 6.32 0.00 -0.84 0.33 119.26 127.00 3civ h ALA 132 Ca 0.28 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3civ h ALA 132 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3civ h ALA 132 CO -0.03 0.14 0.00 1.25 0.00 0.00 0.00 179.25 180.62 3civ h HIS 133 N 0.77 0.00 0.00 0.00 6.17 -0.85 -1.58 115.15 119.66 3civ h HIS 133 Ca 0.24 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.22 3civ h HIS 133 Cb -0.02 0.01 -0.02 0.00 2.52 0.00 0.00 27.41 29.90 3civ h HIS 133 CO -0.05 -0.00 -0.50 1.88 0.71 0.00 0.00 177.93 179.97 3civ h TYR 134 N 0.03 0.00 -0.73 5.26 0.05 -1.08 -2.27 116.97 118.23 3civ h TYR 134 Ca 0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 3civ h TYR 134 Cb 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3civ h TYR 134 CO -0.11 0.50 0.30 0.00 -1.05 0.00 0.00 178.16 177.80 3civ h ALA 135 N 1.50 1.15 -0.54 3.88 0.00 -0.14 0.12 119.26 125.23 3civ h ALA 135 Ca -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3civ h ALA 135 Cb 1.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3civ h ALA 135 CO 0.07 0.62 0.01 1.25 0.00 0.00 0.00 179.25 181.19 3civ h HIS 136 N 1.06 1.03 -0.38 0.00 -0.00 -1.11 -1.61 115.15 114.13 3civ h HIS 136 Ca 0.25 -0.17 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3civ h HIS 136 Cb 0.19 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 3civ h HIS 136 CO 0.02 0.93 0.19 0.28 -0.00 0.00 0.00 177.93 179.35 3civ h VAL 137 N 0.82 0.98 -0.65 5.26 2.07 -1.06 -0.98 116.25 122.70 3civ h VAL 137 Ca 0.15 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3civ h VAL 137 Cb 0.52 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3civ h VAL 137 CO 0.03 0.07 0.36 0.00 0.02 0.00 0.00 177.57 178.05 3civ h ALA 138 N 1.20 0.86 0.06 1.67 0.00 -0.62 -0.10 119.26 122.33 3civ h ALA 138 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3civ h ALA 138 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3civ h ALA 138 CO -0.11 0.04 -0.03 -0.22 0.00 0.00 0.00 179.25 178.93 3civ h LYS 139 N 0.67 -0.07 -0.40 0.00 3.64 -1.03 -0.38 116.57 119.00 3civ h LYS 139 Ca 0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3civ h LYS 139 Cb 0.16 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3civ h LYS 139 CO -0.17 0.03 0.13 0.00 -2.27 0.00 0.00 179.45 177.17 3civ h ARG 140 N -0.16 0.57 -0.27 1.90 3.08 -0.77 -2.47 114.38 116.26 3civ h ARG 140 Ca -0.01 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3civ h ARG 140 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3civ h ARG 140 CO 0.01 0.50 0.00 0.25 -1.07 0.00 0.00 179.97 179.66 3civ n THR 141 N -4.36 0.35 -2.07 2.04 -2.24 -0.09 -4.95 114.28 102.95 3civ n THR 141 Ca 0.03 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 3civ n THR 141 Cb 0.16 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 3civ n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3civ n GLY 142 N 1.29 0.22 3.73 3.38 0.00 -0.81 -4.82 105.19 108.18 3civ n GLY 142 Ca 0.17 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3civ n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3civ h GLU 144 N 6.02 0.00 -3.66 0.00 3.07 -1.28 -3.45 114.58 115.28 3civ h GLU 144 Ca -0.44 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.27 3civ h GLU 144 Cb 1.21 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.92 3civ h GLU 144 CO 0.88 0.00 -0.54 1.41 -1.40 0.00 0.00 179.01 179.36 3civ s MET 145 N -3.22 0.48 -0.03 2.33 1.75 -0.88 -2.67 119.30 117.05 3civ s MET 145 Ca 0.07 -0.52 0.02 0.00 -1.25 0.00 0.00 55.69 54.02 3civ s MET 145 Cb 0.07 0.19 0.01 0.00 2.84 0.00 0.00 34.83 37.94 3civ s MET 145 CO 0.64 -0.11 -0.09 0.12 -0.65 0.00 0.00 175.02 174.92 3civ s PHE 146 N -1.67 1.05 -0.29 4.11 5.36 -0.16 -1.21 117.98 125.17 3civ s PHE 146 Ca -0.13 -0.29 -0.08 0.00 -0.96 0.00 0.00 56.93 55.48 3civ s PHE 146 Cb -0.07 -0.76 -0.01 0.00 -0.34 0.00 0.00 43.02 41.85 3civ s PHE 146 CO -0.00 -0.14 0.10 0.00 -1.46 0.00 0.00 175.22 173.72 3civ n VAL 148 N 4.92 0.00 -3.63 0.00 0.24 -0.16 -4.28 118.33 115.42 3civ n VAL 148 Ca -0.15 -0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.13 3civ n VAL 148 Cb 0.49 -0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 32.43 3civ n VAL 148 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3civ s GLY 149 N -2.88 -0.24 -0.12 7.63 0.00 -1.26 -5.03 107.32 105.42 3civ s GLY 149 Ca 0.18 1.76 -0.04 0.00 0.00 0.00 0.00 44.72 46.62 3civ s GLY 149 CO 0.53 0.58 0.09 0.00 0.00 0.00 0.00 173.10 174.29 3civ n GLU 151 N 5.29 -4.56 -1.97 0.00 1.02 0.63 -4.82 120.64 116.24 3civ n GLU 151 Ca -0.05 0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 57.60 3civ n GLU 151 Cb 0.49 -5.73 -0.01 0.00 -0.02 0.00 0.00 31.44 26.17 3civ n GLU 151 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3civ n MET 152 N -3.90 4.50 -0.07 3.49 2.81 -1.26 -3.24 117.12 119.45 3civ n MET 152 Ca -0.13 -3.39 -0.08 0.00 -1.81 0.00 0.00 57.70 52.30 3civ n MET 152 Cb 0.63 -2.66 -0.01 0.00 -0.71 0.00 0.00 33.22 30.47 3civ n MET 152 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3civ h THR 153 N 2.68 0.92 0.00 2.03 2.02 -1.84 -0.45 112.91 118.28 3civ h THR 153 Ca 0.70 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.75 3civ h THR 153 Cb 0.32 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3civ h THR 153 CO 1.51 0.04 -0.26 0.71 0.37 0.00 0.00 175.52 177.88 3civ h THR 154 N 0.20 0.90 0.00 3.16 1.35 -1.78 -3.01 112.91 113.73 3civ h THR 154 Ca 0.12 -1.02 -0.20 0.00 -0.55 0.00 0.00 66.41 64.77 3civ h THR 154 Cb 0.10 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 3civ h THR 154 CO -0.13 0.26 -0.94 0.00 -0.25 0.00 0.00 175.52 174.46 3civ h ALA 155 N 1.74 0.41 -0.73 6.62 0.00 -1.46 -3.39 119.26 122.45 3civ h ALA 155 Ca -0.00 -0.85 0.16 0.00 0.00 0.00 0.00 54.91 54.21 3civ h ALA 155 Cb 0.58 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 3civ h ALA 155 CO 0.03 1.17 0.17 0.93 0.00 0.00 0.00 179.25 181.56 3civ h GLU 156 N 0.00 0.26 0.00 0.00 5.08 -1.00 -1.05 114.58 117.87 3civ h GLU 156 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3civ h GLU 156 Cb 1.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3civ h GLU 156 CO 0.12 0.17 0.00 -0.35 -1.00 0.00 0.00 179.01 177.95 3civ n PRO 157 N -5.16 0.04 -2.01 2.33 -0.04 -1.26 -3.66 135.00 125.23 3civ n PRO 157 Ca 0.14 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.64 3civ n PRO 157 Cb 0.45 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3civ n PRO 157 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3civ n HIS 158 N -1.68 3.23 -0.04 0.54 8.25 -0.40 -4.78 115.22 120.35 3civ n HIS 158 Ca 0.01 -2.89 -0.10 0.00 -0.26 0.00 0.00 57.72 54.48 3civ n HIS 158 Cb 0.06 -2.26 -0.04 0.00 1.12 0.00 0.00 29.99 28.87 3civ n HIS 158 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3civ h GLU 159 N 5.86 0.25 -0.73 -0.41 4.81 -1.83 -1.50 114.58 121.03 3civ h GLU 159 Ca 0.49 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 3civ h GLU 159 Cb 0.63 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3civ h GLU 159 CO 1.76 0.17 0.45 0.00 -0.73 0.00 0.00 179.01 180.66 3civ h ALA 160 N 1.07 0.93 -0.42 2.92 0.00 -1.93 0.71 119.26 122.54 3civ h ALA 160 Ca 0.07 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3civ h ALA 160 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3civ h ALA 160 CO -0.02 0.39 -0.24 0.52 0.00 0.00 0.00 179.25 179.90 3civ h MET 161 N 0.99 0.86 -0.64 0.00 2.86 -1.91 -1.59 114.93 115.51 3civ h MET 161 Ca 0.26 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3civ h MET 161 Cb -0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3civ h MET 161 CO -0.05 1.01 0.34 -1.49 1.06 0.00 0.00 176.91 177.78 3civ h TRP 162 N 0.74 0.88 -0.46 -0.22 4.06 -0.85 -1.97 115.95 118.14 3civ h TRP 162 Ca 0.10 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 3civ h TRP 162 Cb 0.78 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 3civ h TRP 162 CO 0.05 0.64 0.15 0.00 -3.56 0.00 0.00 178.44 175.71 3civ h ARG 163 N 0.87 0.67 -0.13 0.49 3.08 -0.58 -0.33 114.38 118.44 3civ h ARG 163 Ca 0.22 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3civ h ARG 163 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3civ h ARG 163 CO -0.03 0.58 0.03 1.49 -1.07 0.00 0.00 179.97 180.97 3civ h GLU 164 N 0.66 0.21 -0.62 0.04 4.22 -1.13 -0.23 114.58 117.73 3civ h GLU 164 Ca 0.16 -0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.60 3civ h GLU 164 Cb 0.19 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3civ h GLU 164 CO -0.01 0.38 0.34 1.15 -2.18 0.00 0.00 179.01 178.68 3civ h THR 165 N 0.01 0.96 -0.38 0.32 2.02 -0.96 -0.19 112.91 114.70 3civ h THR 165 Ca 0.04 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3civ h THR 165 Cb 0.26 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3civ h THR 165 CO 0.00 0.12 0.05 0.40 0.37 0.00 0.00 175.52 176.46 3civ h ILE 166 N 0.63 1.24 -0.58 3.11 2.04 -0.97 -1.39 117.51 121.60 3civ h ILE 166 Ca 0.28 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 3civ h ILE 166 Cb 0.17 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3civ h ILE 166 CO -0.18 0.30 0.26 0.00 0.00 0.00 0.00 178.15 178.53 3civ h ALA 167 N 0.91 1.38 -0.48 1.87 0.00 -0.69 0.09 119.26 122.33 3civ h ALA 167 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3civ h ALA 167 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3civ h ALA 167 CO 0.01 0.48 0.09 -0.09 0.00 0.00 0.00 179.25 179.74 3civ h ARG 168 N 0.82 0.79 -0.10 0.00 2.43 -0.82 -1.84 114.38 115.65 3civ h ARG 168 Ca 0.20 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3civ h ARG 168 Cb 0.11 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3civ h ARG 168 CO -0.02 0.79 0.06 0.28 -1.51 0.00 0.00 179.97 179.57 3civ h VAL 169 N 0.66 1.05 -0.80 0.20 2.07 -0.64 -2.56 116.25 116.22 3civ h VAL 169 Ca 0.15 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.71 3civ h VAL 169 Cb 0.38 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3civ h VAL 169 CO 0.01 0.04 0.53 0.03 0.02 0.00 0.00 177.57 178.20 3civ h ARG 170 N 0.11 0.43 -0.37 1.57 2.47 -0.88 0.15 114.38 117.86 3civ h ARG 170 Ca 0.04 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.67 3civ h ARG 170 Cb 0.02 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 3civ h ARG 170 CO -0.01 0.29 -0.01 1.15 0.56 0.00 0.00 179.97 181.95 3civ h THR 171 N 0.44 1.21 0.00 2.04 2.02 -0.93 -3.17 112.91 114.53 3civ h THR 171 Ca 0.40 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3civ h THR 171 Cb 0.90 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3civ h THR 171 CO -0.14 0.29 -1.38 -0.62 0.37 0.00 0.00 175.52 174.04 3civ n GLU 172 N -4.26 0.48 -3.71 6.66 -0.58 0.14 -4.96 120.64 114.42 3civ n GLU 172 Ca 0.02 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.59 3civ n GLU 172 Cb 0.26 -1.62 -0.13 0.00 -0.57 0.00 0.00 31.44 29.39 3civ n GLU 172 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3civ s TYR 173 N -3.34 -0.40 -0.35 -0.32 5.04 0.28 -4.40 117.35 113.86 3civ s TYR 173 Ca -0.01 0.91 0.13 0.00 -2.44 0.00 0.00 57.07 55.66 3civ s TYR 173 Cb 0.13 0.07 0.36 0.00 0.35 0.00 0.00 41.96 42.87 3civ s TYR 173 CO 0.84 -0.28 1.27 -0.40 -1.34 0.00 0.00 175.55 175.65 3civ n ASP 174 N 4.47 3.10 -2.00 4.32 5.68 -1.26 -4.24 116.55 126.62 3civ n ASP 174 Ca -0.21 -2.63 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 3civ n ASP 174 Cb 0.53 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3civ n ASP 174 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3civ n GLY 175 N -0.41 0.04 3.75 6.12 0.00 -1.26 -5.04 105.19 108.39 3civ n GLY 175 Ca 0.15 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3civ n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3civ s LEU 176 N 0.00 4.55 -0.07 0.99 1.43 -1.09 -4.92 118.68 119.57 3civ s LEU 176 Ca 0.00 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 3civ s LEU 176 Cb 0.00 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 3civ s LEU 176 CO 0.00 -0.13 -0.21 -0.69 0.23 0.00 0.00 176.35 175.55 3civ s VAL 177 N -0.91 1.75 0.15 -1.59 1.01 -1.26 -0.99 120.40 118.56 3civ s VAL 177 Ca 0.45 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3civ s VAL 177 Cb -0.31 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3civ s VAL 177 CO 0.38 0.49 -0.11 0.28 0.00 0.00 0.00 175.10 176.14 3civ s THR 178 N 0.19 1.28 -0.07 3.92 -1.32 -0.77 -0.82 115.64 118.04 3civ s THR 178 Ca -0.10 -2.03 0.05 0.00 -1.21 0.00 0.00 61.69 58.40 3civ s THR 178 Cb -0.15 -1.82 -0.01 0.00 -1.51 0.00 0.00 72.50 69.01 3civ s THR 178 CO 0.05 -0.67 -0.22 -0.47 -2.21 0.00 0.00 174.62 171.10 3civ s TYR 179 N -3.07 2.53 -0.51 9.09 5.04 -1.25 -0.98 117.35 128.19 3civ s TYR 179 Ca 0.16 -0.73 -0.16 0.00 -2.44 0.00 0.00 57.07 53.90 3civ s TYR 179 Cb 0.01 -1.65 0.11 0.00 0.35 0.00 0.00 41.96 40.77 3civ s TYR 179 CO 0.02 -0.22 0.46 1.21 -1.34 0.00 0.00 175.55 175.68 3civ s ASN 180 N -0.05 6.17 0.60 4.32 3.04 -0.45 -2.70 114.94 125.88 3civ s ASN 180 Ca -0.06 -1.62 -0.03 0.00 0.04 0.00 0.00 52.86 51.18 3civ s ASN 180 Cb -0.15 -2.20 0.03 0.00 -1.54 0.00 0.00 41.25 37.40 3civ s ASN 180 CO 0.05 -0.78 0.88 0.00 -3.04 0.00 0.00 177.10 174.20 3civ s ASN 182 N -4.40 5.95 0.35 0.00 2.47 -1.26 -0.27 114.94 117.77 3civ s ASN 182 Ca 0.56 1.53 -0.27 0.00 0.42 0.00 0.00 52.86 55.10 3civ s ASN 182 Cb -0.10 -2.49 -0.12 0.00 -1.45 0.00 0.00 41.25 37.09 3civ s ASN 182 CO 0.42 -1.06 1.21 0.00 -3.72 0.00 0.00 177.10 173.95 3civ n HIS 183 N -2.72 1.97 -0.60 0.43 1.44 -0.76 -1.62 115.22 113.36 3civ n HIS 183 Ca 0.07 0.57 0.00 0.00 -2.01 0.00 0.00 57.72 56.35 3civ n HIS 183 Cb 0.54 -2.36 0.00 0.00 0.12 0.00 0.00 29.99 28.29 3civ n HIS 183 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3civ n GLY 184 N 0.90 1.46 0.31 -1.39 0.00 -1.26 -4.86 105.19 100.35 3civ n GLY 184 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3civ n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3civ n ARG 185 N -2.00 1.82 -0.23 1.61 5.12 -0.64 -4.67 116.66 117.66 3civ n ARG 185 Ca 0.00 -0.74 0.02 0.00 -1.93 0.00 0.00 57.85 55.19 3civ n ARG 185 Cb 0.00 -1.19 0.14 0.00 -1.16 0.00 0.00 32.46 30.24 3civ n ARG 185 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3civ h GLU 186 N 1.54 0.44 -0.00 5.56 3.07 -1.90 -0.43 114.58 122.87 3civ h GLU 186 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3civ h GLU 186 Cb 0.46 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3civ h GLU 186 CO 0.00 0.29 -0.08 -0.85 -1.40 0.00 0.00 179.01 176.98 3civ n GLU 187 N -4.97 0.05 -0.02 2.33 0.00 -1.26 -4.06 120.64 112.71 3civ n GLU 187 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 57.16 57.24 3civ n GLU 187 Cb 0.31 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.13 3civ n GLU 187 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3civ n HIS 188 N -1.47 0.49 -2.02 -1.84 8.25 -0.20 -4.93 115.22 113.50 3civ n HIS 188 Ca 0.07 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.29 3civ n HIS 188 Cb 0.33 -0.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.46 3civ n HIS 188 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3civ s VAL 189 N -2.87 2.65 -1.57 1.59 1.01 -1.02 -4.94 120.40 115.25 3civ s VAL 189 Ca -0.06 0.56 0.13 0.00 0.00 0.00 0.00 61.98 62.60 3civ s VAL 189 Cb 0.09 -3.36 0.13 0.00 0.00 0.00 0.00 36.38 33.25 3civ s VAL 189 CO 0.84 0.10 0.96 0.54 0.00 0.00 0.00 175.10 177.53 3civ n ARG 190 N 2.09 1.06 -0.39 2.72 5.12 -1.26 -4.52 116.66 121.48 3civ n ARG 190 Ca 0.06 -1.38 0.06 0.00 -1.93 0.00 0.00 57.85 54.66 3civ n ARG 190 Cb 0.40 -1.26 0.19 0.00 -1.16 0.00 0.00 32.46 30.64 3civ n ARG 190 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3civ n PHE 191 N 0.73 0.42 0.23 -1.55 -1.74 -1.26 -4.73 117.46 109.56 3civ n PHE 191 Ca 0.08 -1.17 0.12 0.00 -0.56 0.00 0.00 57.45 55.92 3civ n PHE 191 Cb 0.34 -0.27 0.72 0.00 1.52 0.00 0.00 39.48 41.79 3civ n PHE 191 CO 0.00 0.00 0.00 -1.49 -0.56 0.00 0.00 176.76 174.71 3civ h TRP 192 N 0.80 0.00 -0.03 2.97 -0.00 -1.95 -0.92 115.95 116.81 3civ h TRP 192 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 3civ h TRP 192 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.38 3civ h TRP 192 CO 0.44 0.00 0.03 0.38 -0.00 0.00 0.00 178.44 179.29 3civ h ASP 193 N 0.00 0.00 0.52 -3.49 2.03 -1.91 -2.36 116.42 111.20 3civ h ASP 193 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3civ h ASP 193 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 3civ h ASP 193 CO -0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 179.24 178.09 3civ n ALA 194 N -2.40 2.73 -2.53 4.15 0.00 -0.35 -4.87 120.51 117.24 3civ n ALA 194 Ca -0.02 -0.23 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 3civ n ALA 194 Cb 0.12 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 3civ n ALA 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3civ s VAL 195 N -2.64 2.06 -0.08 0.00 -7.23 -0.89 -4.99 120.40 106.63 3civ s VAL 195 Ca 0.24 -1.83 0.13 0.00 -1.81 0.00 0.00 61.98 58.71 3civ s VAL 195 Cb 0.20 -2.88 -0.23 0.00 0.56 0.00 0.00 36.38 34.02 3civ s VAL 195 CO 0.51 0.00 0.54 0.47 -0.31 0.00 0.00 175.10 176.30 3civ n ASP 196 N -1.17 0.78 -3.88 4.85 8.00 0.00 -4.91 116.55 120.22 3civ n ASP 196 Ca -0.04 0.33 -0.17 0.00 0.71 0.00 0.00 54.79 55.61 3civ n ASP 196 Cb 0.66 0.09 -0.16 0.00 -0.02 0.00 0.00 41.12 41.69 3civ n ASP 196 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3civ s LEU 197 N -6.02 1.49 0.04 0.64 1.43 -1.10 -4.52 118.68 110.63 3civ s LEU 197 Ca -0.07 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 3civ s LEU 197 Cb 0.08 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 3civ s LEU 197 CO 0.82 -0.03 0.95 -0.63 0.23 0.00 0.00 176.35 177.69 3civ s ILE 198 N 0.62 4.75 0.05 -0.59 1.01 -0.49 -3.91 121.20 122.63 3civ s ILE 198 Ca -0.07 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.60 3civ s ILE 198 Cb -0.10 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 3civ s ILE 198 CO -0.01 0.22 -0.05 -0.94 0.00 0.00 0.00 174.94 174.17 3civ s SER 199 N 0.62 0.58 0.09 3.58 1.04 -1.10 -0.95 113.70 117.57 3civ s SER 199 Ca 0.49 -0.74 -0.05 0.00 0.48 0.00 0.00 55.95 56.13 3civ s SER 199 Cb -0.22 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 3civ s SER 199 CO 0.28 -0.39 0.10 -0.94 0.98 0.00 0.00 173.24 173.27 3civ s SER 200 N -2.16 0.27 -0.96 7.02 1.04 -0.95 -1.28 113.70 116.68 3civ s SER 200 Ca -0.04 -0.86 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 3civ s SER 200 Cb -0.02 0.29 0.16 0.00 0.10 0.00 0.00 66.02 66.55 3civ s SER 200 CO -0.04 -0.70 1.12 -0.44 0.98 0.00 0.00 173.24 174.16 3civ s SER 201 N -2.91 6.74 -1.43 7.02 0.01 0.62 -0.99 113.70 122.76 3civ s SER 201 Ca 0.09 -2.34 -0.07 0.00 1.31 0.00 0.00 55.95 54.94 3civ s SER 201 Cb 0.06 -2.36 0.05 0.00 0.21 0.00 0.00 66.02 63.97 3civ s SER 201 CO -0.08 -0.92 2.59 0.00 0.41 0.00 0.00 173.24 175.24 3civ n ALA 202 N 5.90 7.08 -2.04 1.44 0.00 0.36 -1.83 120.51 131.43 3civ n ALA 202 Ca 0.24 -3.89 -0.42 0.00 0.00 0.00 0.00 53.44 49.37 3civ n ALA 202 Cb 0.48 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.94 3civ n ALA 202 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3civ n TYR 203 N 2.37 3.42 -3.36 0.00 4.02 -1.26 -4.76 117.16 117.60 3civ n TYR 203 Ca 0.68 -2.91 -0.38 0.00 -0.01 0.00 0.00 57.90 55.28 3civ n TYR 203 Cb 0.24 -2.33 -0.06 0.00 -0.02 0.00 0.00 39.34 37.17 3civ n TYR 203 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3civ s TYR 204 N 2.17 3.64 0.67 -0.72 2.02 -1.26 -4.52 117.35 119.35 3civ s TYR 204 Ca 0.45 1.01 -0.17 0.00 -0.37 0.00 0.00 57.07 57.99 3civ s TYR 204 Cb 0.11 -2.47 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 3civ s TYR 204 CO -0.04 0.40 0.94 -2.30 -1.57 0.00 0.00 175.55 172.98 3civ n PRO 205 N 2.69 0.67 -0.32 -1.71 -0.02 -1.26 -4.81 135.00 130.24 3civ n PRO 205 Ca -0.10 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 3civ n PRO 205 Cb 0.52 -2.17 0.25 0.00 -0.02 0.00 0.00 33.50 32.07 3civ n PRO 205 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3civ h ILE 206 N 0.07 0.13 -0.00 4.25 2.04 -1.51 0.92 117.51 123.39 3civ h ILE 206 Ca -0.48 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3civ h ILE 206 Cb 1.35 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3civ h ILE 206 CO 0.48 0.01 -0.03 -0.90 0.00 0.00 0.00 178.15 177.71 3civ n ASP 207 N -5.44 0.37 0.00 1.72 5.75 -1.26 -3.72 116.55 113.97 3civ n ASP 207 Ca 0.20 -0.83 0.11 0.00 -0.01 0.00 0.00 54.79 54.26 3civ n ASP 207 Cb 0.66 -0.06 -0.11 0.00 -1.03 0.00 0.00 41.12 40.58 3civ n ASP 207 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3civ n ARG 208 N -0.85 0.31 0.13 0.11 5.12 0.31 -4.64 116.66 117.15 3civ n ARG 208 Ca 0.19 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.90 3civ n ARG 208 Cb 0.22 -1.53 -0.06 0.00 -1.16 0.00 0.00 32.46 29.93 3civ n ARG 208 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 3civ h TRP 209 N 0.00 -0.66 -0.81 -1.55 4.06 -1.63 -1.51 115.95 113.85 3civ h TRP 209 Ca 0.00 0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.02 3civ h TRP 209 Cb 0.74 0.27 -0.06 0.00 -1.00 0.00 0.00 29.16 29.11 3civ h TRP 209 CO 0.00 -0.35 0.49 0.00 -3.56 0.00 0.00 178.44 175.01 3civ h ARG 210 N -0.47 0.86 -0.04 0.49 2.47 -1.86 -1.96 114.38 113.87 3civ h ARG 210 Ca 0.02 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 3civ h ARG 210 Cb 0.48 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 3civ h ARG 210 CO -0.12 0.57 -0.29 -0.44 0.56 0.00 0.00 179.97 180.25 3civ h ASP 211 N 0.88 0.07 0.64 7.04 3.32 -1.77 -3.27 116.42 123.33 3civ h ASP 211 Ca 0.36 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.12 3civ h ASP 211 Cb 0.19 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3civ h ASP 211 CO -0.18 0.36 -1.41 -0.09 -1.72 0.00 0.00 179.24 176.21 3civ h ARG 212 N 0.06 0.09 -0.62 3.56 9.65 -0.54 -3.38 114.38 123.21 3civ h ARG 212 Ca 0.01 -0.16 0.13 0.00 -1.10 0.00 0.00 59.98 58.85 3civ h ARG 212 Cb 0.55 0.06 -0.11 0.00 -1.39 0.00 0.00 29.97 29.08 3civ h ARG 212 CO 0.04 0.90 -0.08 0.28 2.80 0.00 0.00 179.97 183.91 3civ h VAL 213 N 0.03 0.43 -0.67 0.20 2.07 -1.49 -2.18 116.25 114.64 3civ h VAL 213 Ca -0.18 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.46 3civ h VAL 213 Cb 1.93 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.98 3civ h VAL 213 CO 0.13 0.01 0.12 -0.65 0.02 0.00 0.00 177.57 177.20 3civ h PRO 214 N 0.05 0.23 -0.49 1.57 0.11 -1.77 -0.16 132.00 131.53 3civ h PRO 214 Ca 0.31 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.30 3civ h PRO 214 Cb 0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3civ h PRO 214 CO -0.58 0.15 -0.10 0.28 -0.21 0.00 0.00 178.00 177.54 3civ h VAL 215 N 0.24 1.26 -0.15 3.15 2.07 -1.66 -0.74 116.25 120.42 3civ h VAL 215 Ca 0.36 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3civ h VAL 215 Cb 0.59 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3civ h VAL 215 CO -0.48 0.42 0.09 -0.07 0.02 0.00 0.00 177.57 177.55 3civ h LEU 216 N 0.80 0.18 -0.49 2.57 3.38 -1.06 0.83 115.31 121.53 3civ h LEU 216 Ca 0.13 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3civ h LEU 216 Cb 0.62 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3civ h LEU 216 CO 0.04 0.18 0.19 -0.09 0.09 0.00 0.00 178.44 178.85 3civ h ARG 217 N 0.16 0.36 -0.73 1.13 2.43 -0.92 -1.87 114.38 114.94 3civ h ARG 217 Ca 0.05 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3civ h ARG 217 Cb 0.04 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3civ h ARG 217 CO -0.01 0.24 0.38 0.93 -1.51 0.00 0.00 179.97 180.00 3civ h GLU 218 N 0.37 1.02 -0.14 0.20 5.08 -0.68 -0.31 114.58 120.11 3civ h GLU 218 Ca 0.23 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3civ h GLU 218 Cb 0.23 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3civ h GLU 218 CO -0.22 0.77 0.03 0.28 -1.00 0.00 0.00 179.01 178.86 3civ h VAL 219 N 1.03 1.21 -0.27 3.13 2.07 -0.55 0.13 116.25 123.00 3civ h VAL 219 Ca 0.26 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3civ h VAL 219 Cb 0.06 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3civ h VAL 219 CO -0.04 0.20 0.17 0.00 0.02 0.00 0.00 177.57 177.92 3civ h ALA 220 N 0.81 0.34 -0.32 1.67 0.00 -1.04 -2.21 119.26 118.51 3civ h ALA 220 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3civ h ALA 220 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3civ h ALA 220 CO 0.00 -0.21 -0.43 0.93 0.00 0.00 0.00 179.25 179.55 3civ h GLU 221 N 0.35 0.81 -0.77 0.00 5.08 -1.05 -0.43 114.58 118.57 3civ h GLU 221 Ca 0.10 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3civ h GLU 221 Cb -0.02 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3civ h GLU 221 CO -0.04 1.08 0.44 0.00 -1.00 0.00 0.00 179.01 179.49 3civ h ALA 222 N 0.86 0.98 -0.02 3.43 0.00 -0.89 -2.88 119.26 120.75 3civ h ALA 222 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3civ h ALA 222 Cb 1.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3civ h ALA 222 CO 0.10 0.48 -0.08 0.72 0.00 0.00 0.00 179.25 180.46 3civ n HIS 223 N -4.46 0.00 -3.84 0.00 8.25 -0.84 -4.95 115.22 109.38 3civ n HIS 223 Ca 0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 3civ n HIS 223 Cb 0.08 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.20 3civ n HIS 223 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3civ n GLU 224 N 0.35 -5.59 -4.30 -0.41 1.02 -0.24 -4.92 120.64 106.55 3civ n GLU 224 Ca 0.16 0.62 -0.20 0.00 -0.02 0.00 0.00 57.16 57.72 3civ n GLU 224 Cb 0.43 -5.45 -0.13 0.00 -0.02 0.00 0.00 31.44 26.27 3civ n GLU 224 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3civ s LYS 225 N -6.45 0.90 0.61 3.49 -0.14 -0.79 -5.04 119.74 112.33 3civ s LYS 225 Ca 0.50 -0.81 -0.17 0.00 -1.36 0.00 0.00 55.97 54.13 3civ s LYS 225 Cb -0.25 -0.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.96 3civ s LYS 225 CO 0.82 0.22 1.11 -2.14 -0.76 0.00 0.00 175.35 174.60 3civ s PRO 226 N -1.31 3.03 -0.05 -1.68 0.02 -1.26 -4.53 135.00 129.23 3civ s PRO 226 Ca 0.01 1.45 0.04 0.00 0.02 0.00 0.00 61.00 62.52 3civ s PRO 226 Cb -0.08 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.46 3civ s PRO 226 CO 0.02 -1.07 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.26 3civ s LEU 227 N -4.47 1.92 0.30 -5.54 0.20 0.63 -1.40 118.68 110.32 3civ s LEU 227 Ca 0.69 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 55.17 3civ s LEU 227 Cb -0.21 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 3civ s LEU 227 CO 0.36 0.16 0.20 0.72 -0.29 0.00 0.00 176.35 177.50 3civ s PHE 228 N 0.07 1.58 -0.39 5.38 -0.71 -0.12 -0.47 117.98 123.32 3civ s PHE 228 Ca -0.05 -1.49 -0.13 0.00 -1.04 0.00 0.00 56.93 54.21 3civ s PHE 228 Cb -0.12 -0.75 0.02 0.00 -1.21 0.00 0.00 43.02 40.96 3civ s PHE 228 CO 0.03 -0.68 0.26 -0.06 -1.34 0.00 0.00 175.22 173.43 3civ s PHE 229 N -3.64 3.24 -0.17 3.49 0.08 -0.49 -2.23 117.98 118.26 3civ s PHE 229 Ca 0.38 -0.66 0.29 0.00 0.12 0.00 0.00 56.93 57.05 3civ s PHE 229 Cb 0.04 -2.53 0.93 0.00 -0.57 0.00 0.00 43.02 40.89 3civ s PHE 229 CO 0.20 -0.58 1.82 0.52 -0.10 0.00 0.00 175.22 177.08 3civ h MET 230 N 8.55 0.00 -3.36 0.44 2.86 -1.32 0.33 114.93 122.43 3civ h MET 230 Ca -0.27 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.09 3civ h MET 230 Cb 1.12 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 32.45 3civ h MET 230 CO 0.70 0.00 -0.66 -1.21 1.06 0.00 0.00 176.91 176.80 3civ s GLU 231 N -3.45 0.03 -0.14 1.72 2.02 -1.00 -4.66 118.70 113.21 3civ s GLU 231 Ca 0.04 0.30 -0.13 0.00 0.02 0.00 0.00 54.97 55.20 3civ s GLU 231 Cb 0.07 -0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.12 3civ s GLU 231 CO 0.59 -0.18 0.37 0.14 0.02 0.00 0.00 175.26 176.20 3civ s VAL 232 N 1.22 -0.00 -3.19 2.63 -7.23 -0.95 -0.48 120.40 112.40 3civ s VAL 232 Ca -0.08 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.10 3civ s VAL 232 Cb -0.12 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.30 3civ s VAL 232 CO -0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3civ n GLY 233 N 2.95 -2.22 3.54 2.32 0.00 -1.26 0.46 105.19 110.98 3civ n GLY 233 Ca -0.14 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 3civ n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3civ s PRO 235 N 1.29 3.24 -1.48 0.00 0.02 -1.26 -4.53 135.00 132.27 3civ s PRO 235 Ca -0.08 1.53 -0.10 0.00 0.02 0.00 0.00 61.00 62.37 3civ s PRO 235 Cb -0.06 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.49 3civ s PRO 235 CO -0.14 -0.93 2.53 -1.13 -0.33 0.00 0.00 177.00 177.01 3civ n SER 236 N -1.59 7.02 -4.17 2.53 3.41 -0.95 -4.32 113.62 115.55 3civ n SER 236 Ca 0.11 -2.83 -0.17 0.00 -0.26 0.00 0.00 58.87 55.72 3civ n SER 236 Cb 0.51 -1.53 -0.12 0.00 -0.26 0.00 0.00 64.21 62.82 3civ n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3civ s ARG 237 N 1.45 0.81 0.13 4.33 0.52 -1.23 -0.58 118.95 124.37 3civ s ARG 237 Ca 0.57 -0.98 -0.34 0.00 -0.52 0.00 0.00 55.73 54.47 3civ s ARG 237 Cb 0.16 -0.75 -0.13 0.00 0.52 0.00 0.00 34.95 34.74 3civ s ARG 237 CO -0.07 0.16 1.64 0.45 0.02 0.00 0.00 175.30 177.51 3civ n SER 238 N 1.17 3.26 0.00 0.23 2.88 0.86 -2.21 113.62 119.80 3civ n SER 238 Ca -0.20 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 3civ n SER 238 Cb 0.55 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3civ n SER 238 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3civ n GLY 239 N 3.64 1.11 0.29 0.46 0.00 -1.26 -4.67 105.19 104.76 3civ n GLY 239 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3civ n GLY 239 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3civ h SER 240 N 0.00 0.00 0.05 1.61 0.02 -1.75 -2.34 113.55 111.14 3civ h SER 240 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3civ h SER 240 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3civ h SER 240 CO 0.00 0.00 0.00 1.23 -1.14 0.00 0.00 176.83 176.92 3civ h GLY 241 N 0.00 0.00 1.00 -3.77 0.00 -1.85 -0.88 103.07 97.57 3civ h GLY 241 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3civ h GLY 241 CO -0.00 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.61 3civ n ALA 242 N -1.95 2.67 -3.14 3.60 0.00 -0.88 -1.24 120.51 119.57 3civ n ALA 242 Ca -0.02 -0.25 -0.19 0.00 0.00 0.00 0.00 53.44 52.98 3civ n ALA 242 Cb 0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3civ n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3civ h PRO 244 N 3.44 0.00 0.00 0.00 0.11 -1.60 -1.97 132.00 131.98 3civ h PRO 244 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3civ h PRO 244 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3civ h PRO 244 CO 0.45 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.35 3civ h TRP 245 N 0.00 0.00 -2.98 0.65 0.09 -1.85 -3.42 115.95 108.44 3civ h TRP 245 Ca 0.01 0.00 -0.69 0.00 0.09 0.00 0.00 58.89 58.31 3civ h TRP 245 Cb 0.08 0.00 -0.18 0.00 0.08 0.00 0.00 29.16 29.14 3civ h TRP 245 CO 0.00 0.00 0.16 0.34 0.09 0.00 0.00 178.44 179.03 3civ s ASP 246 N -5.04 6.20 0.14 0.11 2.15 -0.74 -4.89 116.67 114.60 3civ s ASP 246 Ca 0.05 -1.20 0.25 0.00 0.43 0.00 0.00 52.55 52.08 3civ s ASP 246 Cb 0.09 -2.32 0.94 0.00 -0.30 0.00 0.00 42.92 41.33 3civ s ASP 246 CO 0.51 -1.09 1.78 0.00 -0.17 0.00 0.00 175.17 176.20 3civ n TYR 247 N 6.47 0.59 1.14 -5.34 4.11 -1.26 -3.10 117.16 119.78 3civ n TYR 247 Ca -0.08 0.18 0.12 0.00 -0.00 0.00 0.00 57.90 58.13 3civ n TYR 247 Cb 0.44 -0.80 0.26 0.00 -0.00 0.00 0.00 39.34 39.24 3civ n TYR 247 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3civ n ARG 248 N -1.99 0.68 -1.62 -3.48 3.00 -1.26 -4.96 116.66 107.03 3civ n ARG 248 Ca 0.05 -0.45 -0.48 0.00 -0.01 0.00 0.00 57.85 56.97 3civ n ARG 248 Cb 0.35 -1.49 -0.05 0.00 0.00 0.00 0.00 32.46 31.27 3civ n ARG 248 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3civ n HIS 249 N -0.77 2.13 -2.52 -1.55 -0.00 -1.18 -4.94 115.22 106.40 3civ n HIS 249 Ca 0.10 0.02 -0.38 0.00 0.46 0.00 0.00 57.72 57.92 3civ n HIS 249 Cb 0.36 -2.65 -0.04 0.00 -0.12 0.00 0.00 29.99 27.54 3civ n HIS 249 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3civ s PRO 250 N 4.91 4.36 0.00 1.57 0.04 -1.26 -5.00 135.00 139.62 3civ s PRO 250 Ca 0.97 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.65 3civ s PRO 250 Cb -0.66 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.07 3civ s PRO 250 CO 0.48 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.94 3civ n GLY 251 N 0.71 2.96 3.64 0.56 0.00 -1.26 -4.89 105.19 106.91 3civ n GLY 251 Ca 0.02 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3civ n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3civ n ALA 252 N -0.81 -0.06 -1.71 4.61 0.00 -1.26 -4.49 120.51 116.79 3civ n ALA 252 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 3civ n ALA 252 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 3civ n ALA 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3civ n VAL 253 N -2.59 0.47 -3.36 0.00 0.31 -1.26 -0.10 118.33 111.79 3civ n VAL 253 Ca 0.13 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.20 3civ n VAL 253 Cb 0.49 -1.78 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 3civ n VAL 253 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3civ h LEU 255 N 7.91 0.76 -1.21 0.00 4.07 -1.93 -3.05 115.31 121.85 3civ h LEU 255 Ca -0.07 -0.22 -0.05 0.00 0.08 0.00 0.00 57.88 57.63 3civ h LEU 255 Cb 1.08 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 3civ h LEU 255 CO 0.28 0.88 0.04 0.44 -1.08 0.00 0.00 178.44 178.99 3civ h ASP 256 N 0.70 0.54 -0.35 -0.43 3.32 -1.95 -2.65 116.42 115.60 3civ h ASP 256 Ca 0.12 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3civ h ASP 256 Cb 0.56 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3civ h ASP 256 CO 0.03 0.58 0.16 -0.08 -1.72 0.00 0.00 179.24 178.22 3civ h GLU 257 N 0.56 0.33 -0.78 3.56 4.57 -1.86 0.56 114.58 121.51 3civ h GLU 257 Ca 0.12 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3civ h GLU 257 Cb 0.30 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 3civ h GLU 257 CO 0.01 0.22 0.40 0.37 -1.18 0.00 0.00 179.01 178.82 3civ h GLN 258 N 0.34 1.12 -0.41 1.92 4.15 -1.61 -2.06 115.11 118.55 3civ h GLN 258 Ca 0.15 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3civ h GLN 258 Cb 0.08 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3civ h GLN 258 CO -0.12 0.85 0.14 0.00 -1.93 0.00 0.00 178.83 177.78 3civ h ALA 259 N 1.20 0.53 -0.97 3.38 0.00 -1.06 -2.72 119.26 119.63 3civ h ALA 259 Ca 0.27 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3civ h ALA 259 Cb 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3civ h ALA 259 CO -0.04 0.16 0.64 0.00 0.00 0.00 0.00 179.25 180.02 3civ h ARG 260 N 0.52 1.25 -0.02 0.00 3.08 -0.72 -0.97 114.38 117.52 3civ h ARG 260 Ca 0.13 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3civ h ARG 260 Cb 0.23 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3civ h ARG 260 CO -0.01 0.83 -0.10 0.35 -1.07 0.00 0.00 179.97 179.97 3civ h PHE 261 N 1.29 -0.25 -0.64 3.04 3.57 -1.16 -0.10 116.94 122.69 3civ h PHE 261 Ca 0.36 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 3civ h PHE 261 Cb -0.11 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3civ h PHE 261 CO -0.00 -0.15 0.31 1.88 -2.23 0.00 0.00 178.31 178.12 3civ h TYR 262 N -0.16 0.92 -0.50 0.41 0.05 -1.16 -1.52 116.97 115.01 3civ h TYR 262 Ca 0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3civ h TYR 262 Cb 0.22 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3civ h TYR 262 CO -0.17 0.69 0.28 0.93 -1.05 0.00 0.00 178.16 178.84 3civ h GLU 263 N 0.88 0.69 -0.79 4.88 4.39 -0.99 -0.97 114.58 122.68 3civ h GLU 263 Ca 0.22 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3civ h GLU 263 Cb 0.11 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3civ h GLU 263 CO -0.03 0.53 0.48 0.00 -1.16 0.00 0.00 179.01 178.84 3civ h ALA 264 N 1.12 1.00 0.25 3.43 0.00 -0.80 -0.57 119.26 123.69 3civ h ALA 264 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3civ h ALA 264 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3civ h ALA 264 CO -0.03 0.46 -0.12 1.98 0.00 0.00 0.00 179.25 181.54 3civ h MET 265 N 1.08 -0.32 -0.67 0.00 1.85 -1.04 -2.35 114.93 113.47 3civ h MET 265 Ca 0.28 0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.44 3civ h MET 265 Cb -0.05 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.01 3civ h MET 265 CO -0.05 -0.03 0.44 0.74 -0.40 0.00 0.00 176.91 177.61 3civ h PHE 266 N -0.62 0.72 -0.53 1.39 0.04 -1.09 -1.33 116.94 115.52 3civ h PHE 266 Ca -0.03 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 3civ h PHE 266 Cb 0.44 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3civ h PHE 266 CO 0.02 0.40 0.00 0.00 -0.60 0.00 0.00 178.31 178.13 3civ h ALA 267 N 1.63 1.01 0.05 2.45 0.00 -1.06 -3.29 119.26 120.04 3civ h ALA 267 Ca 0.28 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3civ h ALA 267 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3civ h ALA 267 CO -0.08 0.61 -1.31 0.00 0.00 0.00 0.00 179.25 178.47 3civ h ALA 268 N 1.17 0.37 -2.29 0.00 0.00 -0.76 -3.45 119.26 114.30 3civ h ALA 268 Ca 0.16 -1.06 -0.55 0.00 0.00 0.00 0.00 54.91 53.45 3civ h ALA 268 Cb 0.49 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3civ h ALA 268 CO 0.02 1.25 0.81 -1.64 0.00 0.00 0.00 179.25 179.69 3civ s MET 269 N -2.66 4.29 0.54 0.00 1.00 -0.59 -4.91 119.30 116.98 3civ s MET 269 Ca -0.03 1.79 -0.16 0.00 0.00 0.00 0.00 55.69 57.28 3civ s MET 269 Cb 0.08 -3.63 -0.07 0.00 0.00 0.00 0.00 34.83 31.21 3civ s MET 269 CO 0.84 -0.57 1.00 -1.25 0.00 0.00 0.00 175.02 175.04 3civ s PRO 270 N 2.66 3.83 -1.19 2.03 0.04 -1.26 -4.96 135.00 136.15 3civ s PRO 270 Ca 0.59 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 3civ s PRO 270 Cb -0.26 -2.12 0.10 0.00 0.04 0.00 0.00 34.50 32.26 3civ s PRO 270 CO 0.22 -0.37 1.54 0.34 0.04 0.00 0.00 177.00 178.76 3civ s ASP 271 N -3.16 6.84 0.01 6.66 2.15 -1.26 -4.91 116.67 122.99 3civ s ASP 271 Ca 0.59 -2.42 0.01 0.00 0.43 0.00 0.00 52.55 51.16 3civ s ASP 271 Cb -0.11 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.00 3civ s ASP 271 CO 0.35 -1.08 -0.04 -1.61 -0.17 0.00 0.00 175.17 172.61 3civ s GLU 272 N 3.37 0.32 0.62 4.34 2.02 -1.26 -5.06 118.70 123.05 3civ s GLU 272 Ca 0.47 -0.26 0.38 0.00 0.02 0.00 0.00 54.97 55.58 3civ s GLU 272 Cb 0.00 -0.25 2.04 0.00 0.10 0.00 0.00 34.13 36.03 3civ s GLU 272 CO 0.01 0.06 2.25 -1.00 0.02 0.00 0.00 175.26 176.61 3civ h PRO 273 N 5.71 0.00 0.00 0.39 0.13 -2.01 -1.96 132.00 134.26 3civ h PRO 273 Ca -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 3civ h PRO 273 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3civ h PRO 273 CO 0.48 0.02 -0.25 0.11 -0.23 0.00 0.00 178.00 178.13 3civ h TRP 274 N 0.00 0.00 -3.55 1.56 5.08 -1.94 -3.42 115.95 113.68 3civ h TRP 274 Ca -0.00 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.36 3civ h TRP 274 Cb 0.13 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.16 3civ h TRP 274 CO 0.00 0.25 -0.25 0.12 -1.28 0.00 0.00 178.44 177.29 3civ s PHE 275 N -4.16 3.34 -0.96 0.12 5.36 -0.74 -0.27 117.98 120.67 3civ s PHE 275 Ca -0.02 0.52 0.09 0.00 -0.96 0.00 0.00 56.93 56.56 3civ s PHE 275 Cb 0.14 -2.50 0.20 0.00 -0.34 0.00 0.00 43.02 40.51 3civ s PHE 275 CO 0.66 -0.05 1.07 1.63 -1.46 0.00 0.00 175.22 177.07 3civ n LYS 276 N 4.65 1.95 0.00 10.12 4.76 0.39 -4.80 118.16 135.23 3civ n LYS 276 Ca -0.09 -1.65 0.00 0.00 -2.87 0.00 0.00 58.31 53.70 3civ n LYS 276 Cb 0.51 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 3civ n LYS 276 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3civ n GLY 277 N 0.44 0.24 2.84 0.72 0.00 -1.26 0.08 105.19 108.25 3civ n GLY 277 Ca 0.08 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 3civ n GLY 277 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3civ s TYR 278 N 0.00 0.51 -0.42 1.61 1.51 -0.21 -1.40 117.35 118.95 3civ s TYR 278 Ca 0.00 -0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 55.95 3civ s TYR 278 Cb 0.00 -0.55 0.11 0.00 -0.11 0.00 0.00 41.96 41.41 3civ s TYR 278 CO 0.00 -0.17 0.21 1.41 -1.11 0.00 0.00 175.55 175.89 3civ s MET 279 N 1.10 2.00 0.58 -0.62 1.75 0.12 -0.07 119.30 124.15 3civ s MET 279 Ca -0.08 -1.90 -0.18 0.00 -1.25 0.00 0.00 55.69 52.27 3civ s MET 279 Cb -0.14 -3.56 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 3civ s MET 279 CO -0.01 -1.07 1.11 -0.51 -0.65 0.00 0.00 175.02 173.89 3civ s LEU 280 N 0.99 3.64 -0.20 4.11 1.43 -0.37 -2.23 118.68 126.05 3civ s LEU 280 Ca 0.09 2.09 -0.01 0.00 -1.03 0.00 0.00 54.13 55.28 3civ s LEU 280 Cb -0.22 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.44 3civ s LEU 280 CO -0.04 -1.31 -0.13 0.86 0.23 0.00 0.00 176.35 175.96 3civ s TRP 281 N -1.98 2.87 0.33 0.29 -0.11 0.17 -0.78 118.94 119.73 3civ s TRP 281 Ca 0.70 -1.40 -0.14 0.00 1.22 0.00 0.00 56.10 56.48 3civ s TRP 281 Cb -0.22 -2.00 0.03 0.00 -1.50 0.00 0.00 33.47 29.78 3civ s TRP 281 CO 0.31 -0.71 0.66 -1.83 -4.62 0.00 0.00 176.95 170.76 3civ s GLU 282 N 1.36 1.96 -0.08 5.86 -1.05 -1.25 -4.33 118.70 121.17 3civ s GLU 282 Ca 0.05 -1.38 0.02 0.00 -0.15 0.00 0.00 54.97 53.51 3civ s GLU 282 Cb -0.14 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.12 3civ s GLU 282 CO -0.09 -0.88 -0.15 -0.46 0.95 0.00 0.00 175.26 174.64 3civ s TRP 283 N -3.09 1.72 0.52 4.83 -0.11 0.80 -3.55 118.94 120.05 3civ s TRP 283 Ca 0.19 -0.68 -0.17 0.00 1.22 0.00 0.00 56.10 56.66 3civ s TRP 283 Cb -0.04 -1.23 -0.08 0.00 -1.50 0.00 0.00 33.47 30.63 3civ s TRP 283 CO 0.12 -0.33 0.99 -1.25 -4.62 0.00 0.00 176.95 171.86 3civ s PRO 284 N 0.67 3.89 0.40 5.86 0.04 -1.26 -1.65 135.00 142.94 3civ s PRO 284 Ca -0.14 1.00 0.18 0.00 0.04 0.00 0.00 61.00 62.08 3civ s PRO 284 Cb -0.16 -2.12 0.82 0.00 0.04 0.00 0.00 34.50 33.08 3civ s PRO 284 CO 0.04 -0.33 1.83 0.11 0.04 0.00 0.00 177.00 178.69 3civ h TRP 285 N 0.93 0.00 -3.44 0.56 5.08 -1.87 -3.38 115.95 113.82 3civ h TRP 285 Ca -0.47 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 58.80 3civ h TRP 285 Cb 1.19 0.00 -0.33 0.00 -3.00 0.00 0.00 29.16 27.02 3civ h TRP 285 CO 0.63 0.34 -0.51 0.21 -1.28 0.00 0.00 178.44 177.83 3civ s LYS 286 N -3.93 2.19 -0.13 0.12 2.20 -1.26 -2.54 119.74 116.38 3civ s LYS 286 Ca -0.02 -1.76 -0.21 0.00 -0.36 0.00 0.00 55.97 53.63 3civ s LYS 286 Cb 0.13 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3civ s LYS 286 CO 0.69 -1.08 0.60 -1.17 -0.36 0.00 0.00 175.35 174.03 3civ s LEU 287 N 1.22 4.24 0.75 5.43 2.96 -1.26 -5.06 118.68 126.96 3civ s LEU 287 Ca 0.07 0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 54.77 3civ s LEU 287 Cb -0.24 -2.88 0.05 0.00 0.50 0.00 0.00 46.19 43.62 3civ s LEU 287 CO -0.03 -0.14 1.17 -0.72 -1.32 0.00 0.00 176.35 175.32 3civ s TYR 288 N 1.18 2.11 0.53 5.38 1.13 -1.26 -5.00 117.35 121.42 3civ s TYR 288 Ca 0.30 1.62 -0.19 0.00 -1.41 0.00 0.00 57.07 57.39 3civ s TYR 288 Cb -0.16 -3.37 -0.06 0.00 -1.10 0.00 0.00 41.96 37.26 3civ s TYR 288 CO 0.13 -2.43 1.08 -1.25 -2.51 0.00 0.00 175.55 170.56 3civ s PRO 289 N -4.13 3.52 0.31 -3.49 0.04 -1.26 -4.92 135.00 125.06 3civ s PRO 289 Ca 0.71 1.42 0.06 0.00 0.04 0.00 0.00 61.00 63.24 3civ s PRO 289 Cb -0.26 -2.05 0.83 0.00 0.04 0.00 0.00 34.50 33.06 3civ s PRO 289 CO 0.47 -0.67 1.67 0.00 0.04 0.00 0.00 177.00 178.51 3civ h ARG 290 N 1.18 0.32 0.00 4.56 3.08 -1.94 0.11 114.38 121.69 3civ h ARG 290 Ca -0.49 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 3civ h ARG 290 Cb 1.24 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 3civ h ARG 290 CO 0.58 0.21 -0.12 1.05 -1.07 0.00 0.00 179.97 180.62 3civ h GLU 291 N 0.33 0.00 -0.00 0.04 -0.00 -1.93 -2.44 114.58 110.58 3civ h GLU 291 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.97 3civ h GLU 291 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 3civ h GLU 291 CO -0.59 0.12 -0.06 0.00 -0.00 0.00 0.00 179.01 178.49 3civ n ALA 292 N -2.36 2.57 -0.10 1.06 0.00 0.02 -4.18 120.51 117.52 3civ n ALA 292 Ca -0.02 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.32 3civ n ALA 292 Cb 0.22 -1.43 0.41 0.00 0.00 0.00 0.00 19.45 18.66 3civ n ALA 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3civ h ALA 293 N 3.29 1.78 0.00 0.00 0.00 -1.48 -1.78 119.26 121.08 3civ h ALA 293 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3civ h ALA 293 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3civ h ALA 293 CO 0.00 0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.04 3civ h SER 294 N 0.61 0.00 -0.01 0.00 4.64 -1.81 -1.64 113.55 115.34 3civ h SER 294 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3civ h SER 294 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3civ h SER 294 CO -0.07 0.00 -0.69 -0.62 -0.87 0.00 0.00 176.83 174.58 3civ n GLU 295 N -2.72 0.79 -3.22 4.77 4.71 -0.67 -4.92 120.64 119.38 3civ n GLU 295 Ca -0.01 -0.56 -0.39 0.00 -0.01 0.00 0.00 57.16 56.20 3civ n GLU 295 Cb 0.16 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.07 3civ n GLU 295 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3civ s ASP 296 N -2.65 6.68 -0.12 1.62 -1.08 -0.62 -4.97 116.67 115.53 3civ s ASP 296 Ca 0.14 0.82 0.16 0.00 -0.52 0.00 0.00 52.55 53.15 3civ s ASP 296 Cb 0.17 -2.32 0.63 0.00 -1.46 0.00 0.00 42.92 39.95 3civ s ASP 296 CO 0.68 -0.13 1.55 0.61 0.52 0.00 0.00 175.17 178.41 3civ n GLY 297 N 3.55 3.05 3.97 2.66 0.00 -1.26 -4.70 105.19 112.45 3civ n GLY 297 Ca -0.04 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 3civ n GLY 297 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3civ s SER 298 N -1.12 3.55 0.40 1.61 1.04 -1.26 -3.44 113.70 114.48 3civ s SER 298 Ca 0.46 -0.11 0.28 0.00 0.48 0.00 0.00 55.95 57.06 3civ s SER 298 Cb 0.31 -0.03 1.27 0.00 0.10 0.00 0.00 66.02 67.67 3civ s SER 298 CO 0.19 -2.42 1.85 1.88 0.98 0.00 0.00 173.24 175.73 3civ h TYR 299 N -1.18 0.00 -3.54 5.02 -1.99 -1.88 -2.53 116.97 110.87 3civ h TYR 299 Ca -0.40 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 59.80 3civ h TYR 299 Cb 1.24 0.00 0.07 0.00 2.00 0.00 0.00 36.73 40.04 3civ h TYR 299 CO -0.83 0.00 0.75 0.00 -0.00 0.00 0.00 178.16 178.08 3civ n ILE 301 N 1.80 0.10 -1.66 0.00 -5.35 -1.26 -4.88 119.36 108.10 3civ n ILE 301 Ca 0.05 -0.12 -0.50 0.00 -0.27 0.00 0.00 62.75 61.91 3civ n ILE 301 Cb 0.40 0.34 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 3civ n ILE 301 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3civ n TYR 302 N -1.74 2.07 -0.94 4.28 9.36 -1.26 -1.65 117.16 127.28 3civ n TYR 302 Ca 0.03 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.58 3civ n TYR 302 Cb 0.39 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.58 3civ n TYR 302 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3civ n GLY 303 N 3.56 0.66 3.65 2.98 0.00 -1.26 -4.79 105.19 109.99 3civ n GLY 303 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3civ n GLY 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3civ s LYS 304 N -0.26 2.33 0.40 1.61 1.02 -0.66 -4.74 119.74 119.43 3civ s LYS 304 Ca 0.00 -1.35 0.19 0.00 0.02 0.00 0.00 55.97 54.83 3civ s LYS 304 Cb 0.00 -2.21 1.12 0.00 -0.52 0.00 0.00 37.83 36.22 3civ s LYS 304 CO 0.00 0.38 1.76 -1.00 -0.92 0.00 0.00 175.35 175.57 3civ h PRO 305 N 2.02 0.37 -0.62 -1.68 0.13 -1.86 -0.10 132.00 130.26 3civ h PRO 305 Ca -0.45 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.78 3civ h PRO 305 Cb 1.24 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3civ h PRO 305 CO 0.60 0.24 0.42 0.00 -0.23 0.00 0.00 178.00 179.03 3civ h ALA 306 N 1.62 2.12 -0.41 -0.56 0.00 -1.84 -1.02 119.26 119.17 3civ h ALA 306 Ca 0.61 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.58 3civ h ALA 306 Cb 1.55 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 3civ h ALA 306 CO -0.30 -0.27 0.01 1.49 0.00 0.00 0.00 179.25 180.17 3civ h GLU 307 N 0.34 0.12 -0.37 0.00 4.81 -0.97 0.16 114.58 118.67 3civ h GLU 307 Ca 0.30 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.36 3civ h GLU 307 Cb 0.70 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3civ h GLU 307 CO -0.08 0.08 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.45 3civ h ASP 308 N 0.12 0.99 -0.36 1.04 3.32 -1.33 0.22 116.42 120.42 3civ h ASP 308 Ca 0.20 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.83 3civ h ASP 308 Cb 0.29 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3civ h ASP 308 CO -0.33 1.26 0.10 0.58 -1.72 0.00 0.00 179.24 179.13 3civ h VAL 309 N 0.74 0.86 -0.22 -1.35 2.07 -0.98 -0.56 116.25 116.80 3civ h VAL 309 Ca 0.06 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3civ h VAL 309 Cb 0.99 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3civ h VAL 309 CO 0.10 0.04 -0.10 0.58 0.02 0.00 0.00 177.57 178.21 3civ h VAL 310 N 0.24 1.30 -0.45 2.57 2.07 -0.52 -2.86 116.25 118.60 3civ h VAL 310 Ca 0.17 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3civ h VAL 310 Cb 0.17 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3civ h VAL 310 CO -0.19 0.36 0.26 0.00 0.02 0.00 0.00 177.57 178.01 3civ h ALA 311 N 0.71 0.57 -0.06 1.67 0.00 -0.36 0.50 119.26 122.30 3civ h ALA 311 Ca 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3civ h ALA 311 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3civ h ALA 311 CO 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.21 3civ h ARG 312 N 0.52 0.01 -0.25 0.00 3.08 -1.14 0.22 114.38 116.82 3civ h ARG 312 Ca 0.18 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3civ h ARG 312 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3civ h ARG 312 CO -0.09 0.00 0.09 0.00 -1.07 0.00 0.00 179.97 178.91 3civ h ALA 313 N 1.06 0.32 -0.33 0.04 0.00 -1.25 -2.30 119.26 116.80 3civ h ALA 313 Ca 0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3civ h ALA 313 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3civ h ALA 313 CO -0.06 -0.07 -0.19 0.74 0.00 0.00 0.00 179.25 179.68 3civ h PHE 314 N 0.25 0.83 -0.89 0.00 -1.00 -0.81 -2.49 116.94 112.82 3civ h PHE 314 Ca 0.08 -0.21 0.04 0.00 2.81 0.00 0.00 57.97 60.68 3civ h PHE 314 Cb 0.20 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 3civ h PHE 314 CO -0.01 0.94 0.58 0.77 -1.61 0.00 0.00 178.31 178.98 3civ h SER 315 N 0.49 0.96 -0.59 2.17 0.02 -0.58 0.36 113.55 116.37 3civ h SER 315 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3civ h SER 315 Cb 0.73 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 3civ h SER 315 CO 0.05 0.65 0.32 0.00 -1.14 0.00 0.00 176.83 176.71 3civ h ALA 316 N 1.37 0.76 -0.44 3.77 0.00 -1.30 0.60 119.26 124.02 3civ h ALA 316 Ca 0.36 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3civ h ALA 316 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3civ h ALA 316 CO -0.12 0.29 -0.12 0.82 0.00 0.00 0.00 179.25 180.11 3civ h ILE 317 N 0.80 1.27 0.26 0.00 2.04 -1.06 -3.15 117.51 117.68 3civ h ILE 317 Ca 0.21 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3civ h ILE 317 Cb 0.06 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3civ h ILE 317 CO -0.03 0.42 -0.13 0.00 0.00 0.00 0.00 178.15 178.41 3civ h ALA 318 N 0.86 -0.35 0.00 1.87 0.00 0.13 -3.22 119.26 118.55 3civ h ALA 318 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3civ h ALA 318 Cb 0.67 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3civ h ALA 318 CO 0.05 -0.52 0.00 0.09 0.00 0.00 0.00 179.25 178.86 3civ n ASN 319 N -5.10 0.00 0.00 0.00 5.03 0.21 -5.07 115.26 110.33 3civ n ASN 319 Ca -0.09 -0.76 0.03 0.00 0.87 0.00 0.00 54.58 54.63 3civ n ASN 319 Cb 0.25 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 39.19 3civ n ASN 319 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29