#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivr h LEU 4 N 0.00 0.61 -1.97 2.46 5.85 -2.07 -1.75 115.31 118.44 3ivr h LEU 4 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ivr h LEU 4 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3ivr h LEU 4 CO 0.00 0.25 0.00 1.41 -0.34 0.00 0.00 178.44 179.76 3ivr n HIS 5 N -4.62 0.61 -3.68 1.25 8.25 -1.26 -4.95 115.22 110.83 3ivr n HIS 5 Ca 0.21 -0.31 -0.37 0.00 -0.26 0.00 0.00 57.72 56.99 3ivr n HIS 5 Cb 0.60 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.65 3ivr n HIS 5 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ivr s ASP 6 N -1.20 6.61 -0.11 0.41 1.01 -0.66 -5.04 116.67 117.69 3ivr s ASP 6 Ca 0.37 0.73 -0.01 0.00 0.71 0.00 0.00 52.55 54.35 3ivr s ASP 6 Cb 0.20 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 41.99 3ivr s ASP 6 CO 0.27 0.35 -0.06 0.12 0.21 0.00 0.00 175.17 176.06 3ivr s PHE 7 N -1.09 1.35 0.51 4.23 5.36 -1.26 -5.03 117.98 122.05 3ivr s PHE 7 Ca 0.21 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.52 3ivr s PHE 7 Cb -0.14 -1.16 -0.00 0.00 -0.34 0.00 0.00 43.02 41.37 3ivr s PHE 7 CO 0.10 -0.49 0.03 0.95 -1.46 0.00 0.00 175.22 174.35 3ivr s THR 8 N 1.75 0.91 0.50 0.12 -4.23 -1.26 -4.74 115.64 108.68 3ivr s THR 8 Ca 0.05 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.76 3ivr s THR 8 Cb -0.13 -2.08 0.36 0.00 1.34 0.00 0.00 72.50 72.00 3ivr s THR 8 CO -0.08 0.00 2.00 -0.07 -0.54 0.00 0.00 174.62 175.93 3ivr h LEU 9 N 1.37 0.12 -0.80 4.79 3.38 -1.89 -1.30 115.31 120.98 3ivr h LEU 9 Ca -0.42 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.62 3ivr h LEU 9 Cb 1.32 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 3ivr h LEU 9 CO 0.69 0.07 0.49 0.00 0.09 0.00 0.00 178.44 179.78 3ivr h ALA 10 N 1.75 1.10 -0.00 1.53 0.00 -1.94 -1.85 119.26 119.85 3ivr h ALA 10 Ca 0.24 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3ivr h ALA 10 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ivr h ALA 10 CO -0.03 0.22 -0.49 -0.44 0.00 0.00 0.00 179.25 178.51 3ivr h ASP 11 N 0.90 0.00 -0.37 0.00 3.32 -1.62 -2.14 116.42 116.50 3ivr h ASP 11 Ca 0.35 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 3ivr h ASP 11 Cb 0.17 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3ivr h ASP 11 CO -0.17 0.49 0.02 0.58 -1.72 0.00 0.00 179.24 178.44 3ivr h VAL 12 N 0.00 1.25 -0.72 -1.35 2.07 -1.18 0.11 116.25 116.44 3ivr h VAL 12 Ca -0.00 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3ivr h VAL 12 Cb 0.86 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3ivr h VAL 12 CO 0.06 0.32 0.23 1.88 0.02 0.00 0.00 177.57 180.08 3ivr h TYR 13 N 0.47 1.15 -0.11 1.57 0.05 -1.13 0.14 116.97 119.12 3ivr h TYR 13 Ca 0.11 -0.11 -0.18 0.00 0.05 0.00 0.00 58.73 58.59 3ivr h TYR 13 Cb 0.43 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 3ivr h TYR 13 CO 0.03 0.91 -0.69 0.00 -1.05 0.00 0.00 178.16 177.36 3ivr h ARG 14 N 1.06 0.47 0.04 4.88 3.08 -1.38 -0.92 114.38 121.61 3ivr h ARG 14 Ca 0.23 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3ivr h ARG 14 Cb 0.30 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ivr h ARG 14 CO -0.01 0.99 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.77 3ivr h ARG 15 N 0.33 -0.06 -0.71 0.04 2.43 -0.59 -1.22 114.38 114.61 3ivr h ARG 15 Ca -0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3ivr h ARG 15 Cb 1.27 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 3ivr h ARG 15 CO 0.12 -0.04 0.23 -0.91 -1.51 0.00 0.00 179.97 177.87 3ivr h ASN 16 N -0.06 1.02 0.16 -3.80 2.35 -0.65 0.21 115.58 114.82 3ivr h ASN 16 Ca -0.01 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 3ivr h ASN 16 Cb 0.05 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 3ivr h ASN 16 CO 0.01 0.95 -0.10 0.00 -1.65 0.00 0.00 177.43 176.65 3ivr h ALA 17 N 1.11 1.60 0.11 -0.83 0.00 -1.11 0.72 119.26 120.86 3ivr h ALA 17 Ca 0.23 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 3ivr h ALA 17 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ivr h ALA 17 CO -0.01 0.12 -1.49 0.00 0.00 0.00 0.00 179.25 177.88 3ivr h ALA 18 N 1.90 0.21 0.05 0.00 0.00 -0.32 -3.33 119.26 117.78 3ivr h ALA 18 Ca -0.00 -1.13 -0.33 0.00 0.00 0.00 0.00 54.91 53.44 3ivr h ALA 18 Cb 0.21 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3ivr h ALA 18 CO 0.01 0.88 -1.89 1.28 0.00 0.00 0.00 179.25 179.54 3ivr n LEU 19 N -3.89 1.65 -2.58 0.00 4.77 0.67 -4.58 117.00 113.04 3ivr n LEU 19 Ca -0.26 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 3ivr n LEU 19 Cb 0.91 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3ivr n LEU 19 CO 0.40 0.61 0.02 0.49 -1.33 0.00 0.00 177.39 177.58 3ivr n PHE 20 N -3.22 2.13 -0.25 -1.77 3.72 0.24 -4.98 117.46 113.32 3ivr n PHE 20 Ca -0.25 -2.89 0.02 0.00 -0.05 0.00 0.00 57.45 54.28 3ivr n PHE 20 Cb 1.05 -0.25 0.24 0.00 -0.94 0.00 0.00 39.48 39.58 3ivr n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ivr h PRO 21 N 2.79 1.00 -0.00 -1.08 0.13 -1.64 -2.37 132.00 130.83 3ivr h PRO 21 Ca 0.08 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3ivr h PRO 21 Cb 1.08 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3ivr h PRO 21 CO 0.64 0.66 -0.53 -0.25 -0.23 0.00 0.00 178.00 178.30 3ivr n ASP 22 N -4.44 0.73 -4.79 1.44 8.00 -1.26 -1.61 116.55 114.62 3ivr n ASP 22 Ca 0.10 -0.53 -0.33 0.00 0.71 0.00 0.00 54.79 54.74 3ivr n ASP 22 Cb 0.09 0.35 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 3ivr n ASP 22 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ivr s ARG 23 N -2.89 3.30 0.20 -1.24 0.52 -0.89 -4.84 118.95 113.12 3ivr s ARG 23 Ca 0.13 1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 3ivr s ARG 23 Cb 0.18 -2.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.53 3ivr s ARG 23 CO 0.69 -0.84 1.39 0.99 0.02 0.00 0.00 175.30 177.54 3ivr s THR 24 N -2.21 2.96 -0.25 0.02 2.01 -1.26 -1.83 115.64 115.08 3ivr s THR 24 Ca 0.67 0.77 -0.10 0.00 0.31 0.00 0.00 61.69 63.34 3ivr s THR 24 Cb -0.19 -3.49 -0.16 0.00 0.01 0.00 0.00 72.50 68.67 3ivr s THR 24 CO 0.33 0.11 -0.17 0.00 -0.69 0.00 0.00 174.62 174.20 3ivr n ALA 25 N 2.79 1.17 -2.88 7.40 0.00 0.69 -4.13 120.51 125.54 3ivr n ALA 25 Ca 0.08 -0.96 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 3ivr n ALA 25 Cb 0.41 -0.11 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 3ivr n ALA 25 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ivr s PHE 26 N -2.49 0.14 -0.34 0.00 0.08 -0.78 -1.69 117.98 112.90 3ivr s PHE 26 Ca -0.35 -0.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 3ivr s PHE 26 Cb 0.11 -0.10 0.07 0.00 -0.57 0.00 0.00 43.02 42.53 3ivr s PHE 26 CO 0.56 -0.01 0.08 -1.64 -0.10 0.00 0.00 175.22 174.11 3ivr s MET 27 N 0.01 2.23 -0.03 0.44 -1.94 0.00 -1.37 119.30 118.64 3ivr s MET 27 Ca 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 3ivr s MET 27 Cb -0.01 -3.33 0.03 0.00 2.01 0.00 0.00 34.83 33.52 3ivr s MET 27 CO -0.00 -0.80 0.01 0.54 -0.01 0.00 0.00 175.02 174.76 3ivr s VAL 28 N 1.20 0.09 -0.69 -6.03 0.11 -0.53 -0.93 120.40 113.61 3ivr s VAL 28 Ca 0.01 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.01 3ivr s VAL 28 Cb -0.21 -0.20 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 3ivr s VAL 28 CO -0.02 0.13 0.39 -0.90 -3.33 0.00 0.00 175.10 171.36 3ivr n ASP 29 N 4.19 -2.39 0.00 3.54 5.75 -1.25 -1.58 116.55 124.81 3ivr n ASP 29 Ca -0.26 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 3ivr n ASP 29 Cb 0.50 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3ivr n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ivr n GLY 30 N -1.58 1.75 3.54 6.12 0.00 -1.26 -5.00 105.19 108.76 3ivr n GLY 30 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3ivr n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ivr s VAL 31 N -2.93 3.32 -0.14 1.61 0.11 -0.61 -5.12 120.40 116.63 3ivr s VAL 31 Ca 0.00 -0.89 -0.10 0.00 -2.93 0.00 0.00 61.98 58.06 3ivr s VAL 31 Cb 0.00 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.39 3ivr s VAL 31 CO 0.00 0.40 0.20 -0.60 -3.33 0.00 0.00 175.10 171.77 3ivr s ARG 32 N -1.34 3.91 -0.12 1.54 3.52 -1.26 -1.46 118.95 123.74 3ivr s ARG 32 Ca 0.16 -0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 3ivr s ARG 32 Cb -0.11 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3ivr s ARG 32 CO 0.06 0.50 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.72 3ivr s LEU 33 N -0.26 1.74 0.62 -0.88 2.96 -0.47 -5.03 118.68 117.37 3ivr s LEU 33 Ca 0.14 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3ivr s LEU 33 Cb -0.12 -1.14 0.04 0.00 0.50 0.00 0.00 46.19 45.47 3ivr s LEU 33 CO 0.03 0.00 0.89 0.42 -1.32 0.00 0.00 176.35 176.37 3ivr s THR 34 N 1.10 2.59 0.19 3.68 -4.23 -1.26 -0.23 115.64 117.48 3ivr s THR 34 Ca -0.04 -0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 3ivr s THR 34 Cb -0.14 -3.05 0.11 0.00 1.34 0.00 0.00 72.50 70.76 3ivr s THR 34 CO -0.04 -0.04 1.84 0.45 -0.54 0.00 0.00 174.62 176.29 3ivr h HIS 35 N -0.25 0.83 -0.63 3.99 3.86 -1.24 0.17 115.15 121.88 3ivr h HIS 35 Ca -0.44 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 58.74 3ivr h HIS 35 Cb 1.30 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.47 3ivr h HIS 35 CO 0.36 0.54 0.22 -0.09 0.86 0.00 0.00 177.93 179.83 3ivr h ARG 36 N 0.87 0.96 0.00 2.45 2.43 -1.56 -2.22 114.38 117.30 3ivr h ARG 36 Ca 0.23 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 3ivr h ARG 36 Cb -0.06 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3ivr h ARG 36 CO -0.05 0.83 -0.65 -0.44 -1.51 0.00 0.00 179.97 178.15 3ivr h ASP 37 N 0.89 0.00 -0.34 -3.80 3.32 -1.76 -2.69 116.42 112.05 3ivr h ASP 37 Ca 0.20 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3ivr h ASP 37 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3ivr h ASP 37 CO -0.01 0.65 0.04 0.22 -1.72 0.00 0.00 179.24 178.42 3ivr h TYR 38 N 0.00 0.61 -0.55 4.55 3.20 -0.50 -2.05 116.97 122.24 3ivr h TYR 38 Ca -0.01 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 3ivr h TYR 38 Cb 1.22 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 3ivr h TYR 38 CO 0.00 0.65 0.31 1.25 -1.64 0.00 0.00 178.16 178.74 3ivr h LEU 39 N 0.39 0.67 -0.04 2.82 5.85 -1.37 -1.09 115.31 122.55 3ivr h LEU 39 Ca 0.10 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ivr h LEU 39 Cb 0.39 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3ivr h LEU 39 CO 0.01 0.55 0.01 0.00 -0.34 0.00 0.00 178.44 178.67 3ivr h ALA 40 N 1.15 0.04 -0.43 1.25 0.00 -1.43 0.31 119.26 120.15 3ivr h ALA 40 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ivr h ALA 40 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ivr h ALA 40 CO -0.03 -0.47 0.27 0.00 0.00 0.00 0.00 179.25 179.01 3ivr h ARG 41 N 0.03 0.58 -0.72 0.00 3.08 -1.32 -2.28 114.38 113.74 3ivr h ARG 41 Ca 0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3ivr h ARG 41 Cb 0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3ivr h ARG 41 CO -0.02 0.42 0.37 0.00 -1.07 0.00 0.00 179.97 179.67 3ivr h ALA 42 N 1.13 0.93 -0.93 0.04 0.00 -0.99 -2.15 119.26 117.28 3ivr h ALA 42 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ivr h ALA 42 Cb -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3ivr h ALA 42 CO -0.03 0.47 0.55 0.93 0.00 0.00 0.00 179.25 181.17 3ivr h GLU 43 N 1.00 1.26 -0.07 0.00 5.08 -0.81 -0.35 114.58 120.70 3ivr h GLU 43 Ca 0.25 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3ivr h GLU 43 Cb 0.08 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3ivr h GLU 43 CO -0.04 0.89 0.02 0.00 -1.00 0.00 0.00 179.01 178.88 3ivr h ARG 44 N 1.28 0.10 -0.27 2.33 3.08 -1.16 -1.97 114.38 117.78 3ivr h ARG 44 Ca 0.33 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 3ivr h ARG 44 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3ivr h ARG 44 CO -0.06 0.28 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.05 3ivr h LEU 45 N -0.10 0.37 -0.56 3.04 3.38 -1.27 -1.74 115.31 118.43 3ivr h LEU 45 Ca 0.02 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3ivr h LEU 45 Cb 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ivr h LEU 45 CO -0.00 0.44 -0.11 0.00 0.09 0.00 0.00 178.44 178.86 3ivr h ALA 46 N 1.62 0.77 -0.87 1.53 0.00 -0.90 -1.16 119.26 120.25 3ivr h ALA 46 Ca 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3ivr h ALA 46 Cb 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3ivr h ALA 46 CO 0.01 0.67 0.49 0.77 0.00 0.00 0.00 179.25 181.19 3ivr h SER 47 N 0.92 1.08 -0.67 0.00 0.02 -1.13 -1.73 113.55 112.03 3ivr h SER 47 Ca 0.14 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3ivr h SER 47 Cb 0.68 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 3ivr h SER 47 CO 0.05 0.86 0.21 1.23 -1.14 0.00 0.00 176.83 178.04 3ivr h GLY 48 N 1.21 1.15 1.08 -3.77 0.00 -1.17 0.87 103.07 102.43 3ivr h GLY 48 Ca 0.31 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 3ivr h GLY 48 CO -0.05 0.62 -0.14 1.41 0.00 0.00 0.00 176.54 178.38 3ivr h LEU 49 N 1.03 1.00 -0.16 3.11 3.38 -1.02 -0.48 115.31 122.18 3ivr h LEU 49 Ca 0.23 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ivr h LEU 49 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ivr h LEU 49 CO -0.01 1.14 0.10 -0.07 0.09 0.00 0.00 178.44 179.69 3ivr h LEU 50 N 0.85 0.19 -0.60 1.67 3.38 -1.11 -0.73 115.31 118.97 3ivr h LEU 50 Ca 0.13 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3ivr h LEU 50 Cb 0.71 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 3ivr h LEU 50 CO 0.05 0.18 0.14 -0.09 0.09 0.00 0.00 178.44 178.81 3ivr h ARG 51 N 0.19 0.26 0.00 1.13 2.43 -0.70 -0.67 114.38 117.02 3ivr h ARG 51 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3ivr h ARG 51 Cb 0.02 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3ivr h ARG 51 CO -0.01 0.17 0.00 -0.25 -1.51 0.00 0.00 179.97 178.37 3ivr n ASP 52 N -5.12 0.00 -0.01 -3.80 9.92 -0.20 -4.86 116.55 112.49 3ivr n ASP 52 Ca 0.09 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 3ivr n ASP 52 Cb 0.32 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 3ivr n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ivr n GLY 53 N -0.14 1.12 3.68 0.44 0.00 -0.26 -4.80 105.19 105.23 3ivr n GLY 53 Ca 0.06 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3ivr n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivr s VAL 54 N -2.01 5.02 0.42 1.61 1.01 -0.31 -5.02 120.40 121.13 3ivr s VAL 54 Ca 0.00 1.28 0.07 0.00 0.00 0.00 0.00 61.98 63.34 3ivr s VAL 54 Cb 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3ivr s VAL 54 CO 0.00 0.14 0.34 -1.00 0.00 0.00 0.00 175.10 174.58 3ivr s HIS 55 N 1.62 2.62 0.23 5.22 3.76 -1.26 -4.37 115.29 123.10 3ivr s HIS 55 Ca 0.32 -0.54 -0.32 0.00 -0.15 0.00 0.00 55.06 54.37 3ivr s HIS 55 Cb -0.16 -2.11 -0.13 0.00 1.11 0.00 0.00 32.58 31.29 3ivr s HIS 55 CO 0.12 -0.08 1.57 -2.37 -0.85 0.00 0.00 174.74 173.13 3ivr n THR 56 N -1.50 0.56 0.00 1.30 5.66 -1.26 -2.05 114.28 116.99 3ivr n THR 56 Ca 0.02 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3ivr n THR 56 Cb 0.63 -1.75 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 3ivr n THR 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ivr n GLY 57 N 2.83 2.06 3.79 1.09 0.00 -0.68 -4.95 105.19 109.33 3ivr n GLY 57 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3ivr n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ivr s ASP 58 N -2.06 6.19 0.03 1.61 1.01 -0.87 -4.65 116.67 117.94 3ivr s ASP 58 Ca 0.00 1.96 -0.18 0.00 0.71 0.00 0.00 52.55 55.05 3ivr s ASP 58 Cb 0.00 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 3ivr s ASP 58 CO 0.00 -0.89 0.51 -0.13 0.21 0.00 0.00 175.17 174.87 3ivr s ARG 59 N -3.30 4.11 -0.24 8.23 3.00 -1.26 -0.32 118.95 129.17 3ivr s ARG 59 Ca 0.68 0.60 0.00 0.00 0.00 0.00 0.00 55.73 57.02 3ivr s ARG 59 Cb -0.18 -3.24 0.04 0.00 0.00 0.00 0.00 34.95 31.57 3ivr s ARG 59 CO 0.22 0.63 -0.10 0.08 0.00 0.00 0.00 175.30 176.13 3ivr s VAL 60 N -0.98 2.50 0.11 3.52 1.01 0.99 -0.59 120.40 126.95 3ivr s VAL 60 Ca 0.27 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 3ivr s VAL 60 Cb -0.18 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 3ivr s VAL 60 CO 0.16 0.15 0.42 0.00 0.00 0.00 0.00 175.10 175.84 3ivr s ALA 61 N 1.24 3.71 -0.05 5.51 0.00 -0.02 -0.54 121.76 131.60 3ivr s ALA 61 Ca -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3ivr s ALA 61 Cb -0.17 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.70 3ivr s ALA 61 CO -0.06 0.57 0.10 -1.50 0.00 0.00 0.00 175.76 174.88 3ivr s ILE 62 N -1.49 -0.10 -0.33 0.00 2.07 -0.60 -0.58 121.20 120.17 3ivr s ILE 62 Ca 0.36 0.25 0.01 0.00 -1.41 0.00 0.00 60.65 59.86 3ivr s ILE 62 Cb -0.13 -0.19 0.08 0.00 0.13 0.00 0.00 42.46 42.35 3ivr s ILE 62 CO 0.20 0.10 0.05 -0.22 -1.91 0.00 0.00 174.94 173.16 3ivr s LEU 63 N 1.45 4.44 -0.12 8.50 2.96 -0.61 -0.51 118.68 134.80 3ivr s LEU 63 Ca -0.05 -1.78 -0.30 0.00 -0.22 0.00 0.00 54.13 51.78 3ivr s LEU 63 Cb -0.12 -1.69 0.11 0.00 0.50 0.00 0.00 46.19 44.99 3ivr s LEU 63 CO -0.05 -0.36 0.89 -0.55 -1.32 0.00 0.00 176.35 174.97 3ivr s SER 64 N 1.26 -0.47 0.68 3.68 0.15 -1.26 0.30 113.70 118.04 3ivr s SER 64 Ca 0.03 0.51 -0.11 0.00 0.70 0.00 0.00 55.95 57.08 3ivr s SER 64 Cb -0.20 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.49 3ivr s SER 64 CO -0.05 -0.43 1.05 -1.10 1.20 0.00 0.00 173.24 173.92 3ivr s GLN 65 N -1.13 3.06 0.09 5.44 -0.21 -1.26 -4.90 119.66 120.75 3ivr s GLN 65 Ca -0.05 0.90 -0.33 0.00 0.02 0.00 0.00 55.36 55.90 3ivr s GLN 65 Cb -0.00 -2.01 -0.12 0.00 1.00 0.00 0.00 33.01 31.88 3ivr s GLN 65 CO 0.04 -1.00 1.77 0.09 -2.12 0.00 0.00 175.29 174.08 3ivr n ASN 66 N -3.05 3.66 -3.92 5.90 3.02 -1.26 -4.89 115.26 114.72 3ivr n ASN 66 Ca 0.07 1.01 -0.08 0.00 -0.03 0.00 0.00 54.58 55.55 3ivr n ASN 66 Cb 0.54 -1.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.19 3ivr n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ivr h SER 68 N 2.13 0.04 -0.41 0.00 4.64 -1.93 -2.48 113.55 115.55 3ivr h SER 68 Ca -0.23 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 3ivr h SER 68 Cb 1.25 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3ivr h SER 68 CO 0.30 0.08 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.91 3ivr h GLU 69 N 0.05 0.79 -0.48 4.77 3.07 -1.96 -2.13 114.58 118.67 3ivr h GLU 69 Ca 0.01 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 3ivr h GLU 69 Cb 0.09 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3ivr h GLU 69 CO 0.00 0.92 0.27 1.98 -1.40 0.00 0.00 179.01 180.78 3ivr h MET 70 N 0.60 0.67 -0.37 2.33 4.05 -1.80 -1.17 114.93 119.24 3ivr h MET 70 Ca 0.10 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3ivr h MET 70 Cb 0.63 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 3ivr h MET 70 CO 0.04 0.52 0.18 0.82 0.23 0.00 0.00 176.91 178.70 3ivr h ILE 71 N 0.64 1.16 0.00 1.77 2.04 -1.40 -1.34 117.51 120.39 3ivr h ILE 71 Ca 0.17 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 3ivr h ILE 71 Cb 0.04 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3ivr h ILE 71 CO -0.03 0.17 -0.59 1.05 0.00 0.00 0.00 178.15 178.75 3ivr h GLU 72 N 0.46 0.00 -0.51 2.37 4.11 -1.33 -3.09 114.58 116.60 3ivr h GLU 72 Ca 0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.51 3ivr h GLU 72 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3ivr h GLU 72 CO -0.02 0.59 0.14 1.25 0.07 0.00 0.00 179.01 181.05 3ivr h LEU 73 N 0.00 0.75 -0.58 3.06 5.85 -0.99 -1.16 115.31 122.25 3ivr h LEU 73 Ca -0.01 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.61 3ivr h LEU 73 Cb 1.17 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.89 3ivr h LEU 73 CO 0.08 0.78 -0.12 0.40 -0.34 0.00 0.00 178.44 179.23 3ivr h ILE 74 N 0.70 0.43 -0.48 4.05 2.04 -1.18 0.11 117.51 123.18 3ivr h ILE 74 Ca 0.16 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 3ivr h ILE 74 Cb 0.30 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3ivr h ILE 74 CO -0.00 0.00 0.24 1.23 0.00 0.00 0.00 178.15 179.62 3ivr h GLY 75 N 0.01 0.73 0.97 5.37 0.00 -1.43 -1.78 103.07 106.94 3ivr h GLY 75 Ca 0.28 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.27 3ivr h GLY 75 CO -0.59 0.34 0.20 0.00 0.00 0.00 0.00 176.54 176.49 3ivr h ALA 76 N 1.08 0.40 -0.33 3.60 0.00 -0.47 -1.40 119.26 122.15 3ivr h ALA 76 Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ivr h ALA 76 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ivr h ALA 76 CO -0.02 -0.15 0.15 0.28 0.00 0.00 0.00 179.25 179.51 3ivr h VAL 77 N 0.41 0.97 -0.91 0.00 2.07 -0.73 -2.90 116.25 115.16 3ivr h VAL 77 Ca 0.12 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3ivr h VAL 77 Cb -0.03 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3ivr h VAL 77 CO -0.04 0.06 0.59 0.00 0.02 0.00 0.00 177.57 178.20 3ivr h ALA 78 N 1.18 1.47 0.00 1.67 0.00 -0.92 -2.45 119.26 120.21 3ivr h ALA 78 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ivr h ALA 78 Cb 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ivr h ALA 78 CO -0.11 0.41 -0.13 -0.07 0.00 0.00 0.00 179.25 179.35 3ivr h LEU 79 N 1.08 0.00 -2.68 0.00 3.38 -1.06 -2.96 115.31 113.07 3ivr h LEU 79 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3ivr h LEU 79 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ivr h LEU 79 CO -0.13 0.13 0.00 2.30 0.09 0.00 0.00 178.44 180.83 3ivr n ILE 80 N -3.48 0.86 -2.36 1.22 -5.35 -1.07 -4.61 119.36 104.57 3ivr n ILE 80 Ca -0.01 -0.93 -0.17 0.00 -0.27 0.00 0.00 62.75 61.37 3ivr n ILE 80 Cb 0.29 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.78 3ivr n ILE 80 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ivr n GLY 81 N 0.49 -0.31 3.97 3.28 0.00 -1.08 -4.04 105.19 107.50 3ivr n GLY 81 Ca 0.10 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3ivr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivr s ALA 82 N -2.84 3.43 -0.22 4.61 0.00 -0.94 -1.68 121.76 124.11 3ivr s ALA 82 Ca 0.02 -1.49 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 3ivr s ALA 82 Cb -0.01 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.91 3ivr s ALA 82 CO 0.03 -1.50 -0.07 0.42 0.00 0.00 0.00 175.76 174.63 3ivr s ILE 83 N -3.22 2.99 0.18 0.00 1.01 0.57 -4.54 121.20 118.18 3ivr s ILE 83 Ca 0.66 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 3ivr s ILE 83 Cb -0.06 -2.40 -0.08 0.00 0.01 0.00 0.00 42.46 39.93 3ivr s ILE 83 CO 0.45 0.37 1.17 -0.22 0.00 0.00 0.00 174.94 176.70 3ivr s LEU 84 N 1.40 4.46 -0.59 2.97 2.96 0.11 -0.01 118.68 129.99 3ivr s LEU 84 Ca 0.04 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.18 3ivr s LEU 84 Cb -0.15 -3.61 0.15 0.00 0.50 0.00 0.00 46.19 43.09 3ivr s LEU 84 CO -0.05 -0.32 0.37 -0.22 -1.32 0.00 0.00 176.35 174.80 3ivr s LEU 85 N -0.31 4.17 -0.29 -0.68 2.96 0.30 -1.44 118.68 123.39 3ivr s LEU 85 Ca 0.52 -3.35 -0.26 0.00 -0.22 0.00 0.00 54.13 50.82 3ivr s LEU 85 Cb -0.32 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3ivr s LEU 85 CO 0.36 -0.17 0.91 -2.16 -1.32 0.00 0.00 176.35 173.98 3ivr s PRO 86 N -0.71 4.06 -0.06 0.98 0.04 -1.26 -1.56 135.00 136.48 3ivr s PRO 86 Ca 0.21 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 61.93 3ivr s PRO 86 Cb -0.14 -3.71 -0.05 0.00 0.04 0.00 0.00 34.50 30.64 3ivr s PRO 86 CO -0.09 -0.72 0.58 0.08 0.04 0.00 0.00 177.00 176.90 3ivr s VAL 87 N 3.18 5.04 -0.30 -0.36 1.01 0.33 -4.81 120.40 124.49 3ivr s VAL 87 Ca 0.38 1.19 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 3ivr s VAL 87 Cb -0.14 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3ivr s VAL 87 CO 0.12 0.35 2.03 0.21 0.00 0.00 0.00 175.10 177.80 3ivr s ASN 88 N 0.31 5.58 0.00 3.32 3.84 -1.26 -4.53 114.94 122.20 3ivr s ASN 88 Ca 0.31 1.52 0.16 0.00 0.21 0.00 0.00 52.86 55.06 3ivr s ASN 88 Cb -0.17 -2.52 0.97 0.00 -0.55 0.00 0.00 41.25 38.98 3ivr s ASN 88 CO 0.15 -1.92 1.49 0.00 -2.79 0.00 0.00 177.10 174.03 3ivr n TYR 89 N 11.35 0.00 -0.35 0.43 0.18 -1.26 -2.69 117.16 124.82 3ivr n TYR 89 Ca 0.27 0.00 0.10 0.00 1.88 0.00 0.00 57.90 60.15 3ivr n TYR 89 Cb 0.47 0.00 0.33 0.00 -0.38 0.00 0.00 39.34 39.75 3ivr n TYR 89 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3ivr n ARG 90 N -0.82 3.10 -3.60 -3.48 3.00 -1.26 -4.94 116.66 108.67 3ivr n ARG 90 Ca 0.12 -2.61 -0.28 0.00 -0.01 0.00 0.00 57.85 55.07 3ivr n ARG 90 Cb 0.06 -1.70 -0.03 0.00 0.00 0.00 0.00 32.46 30.78 3ivr n ARG 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3ivr s LEU 91 N -1.38 4.19 0.98 0.55 1.43 -1.09 -5.11 118.68 118.25 3ivr s LEU 91 Ca 0.48 0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.94 3ivr s LEU 91 Cb 0.28 -3.28 0.18 0.00 0.03 0.00 0.00 46.19 43.40 3ivr s LEU 91 CO 0.28 -0.07 1.15 0.54 0.23 0.00 0.00 176.35 178.48 3ivr s ASN 92 N -3.08 2.90 0.51 2.29 2.20 -1.26 -4.76 114.94 113.73 3ivr s ASN 92 Ca 0.40 0.82 0.22 0.00 -0.94 0.00 0.00 52.86 53.36 3ivr s ASN 92 Cb -0.11 -1.27 1.36 0.00 -2.00 0.00 0.00 41.25 39.23 3ivr s ASN 92 CO 0.29 -2.92 2.10 0.00 -2.94 0.00 0.00 177.10 173.63 3ivr h ALA 93 N -1.75 1.60 -0.03 3.54 0.00 -1.99 -0.83 119.26 119.80 3ivr h ALA 93 Ca -0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3ivr h ALA 93 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ivr h ALA 93 CO 0.53 0.12 -0.11 -0.44 0.00 0.00 0.00 179.25 179.35 3ivr h ASP 94 N 0.00 0.14 -0.76 0.00 5.19 -1.99 -2.30 116.42 116.70 3ivr h ASP 94 Ca -0.00 -0.65 -0.02 0.00 -0.62 0.00 0.00 57.03 55.74 3ivr h ASP 94 Cb 0.19 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 3ivr h ASP 94 CO 0.01 0.76 0.38 -0.33 -3.12 0.00 0.00 179.24 176.95 3ivr h GLU 95 N -0.48 1.08 -0.49 3.56 5.08 -1.84 -0.69 114.58 120.80 3ivr h GLU 95 Ca -0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3ivr h GLU 95 Cb 0.76 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3ivr h GLU 95 CO 0.02 0.83 0.26 0.82 -1.00 0.00 0.00 179.01 179.94 3ivr h ILE 96 N 1.06 1.18 -0.81 3.13 2.04 -1.24 -0.66 117.51 122.21 3ivr h ILE 96 Ca 0.26 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3ivr h ILE 96 Cb 0.10 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3ivr h ILE 96 CO -0.04 0.19 0.53 0.00 0.00 0.00 0.00 178.15 178.84 3ivr h ALA 97 N 1.10 1.03 -0.07 1.87 0.00 -1.06 -0.59 119.26 121.54 3ivr h ALA 97 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ivr h ALA 97 Cb 0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3ivr h ALA 97 CO -0.03 0.41 0.04 0.35 0.00 0.00 0.00 179.25 180.03 3ivr h PHE 98 N 1.07 0.10 -0.45 0.00 3.57 -0.81 -1.15 116.94 119.27 3ivr h PHE 98 Ca 0.30 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.84 3ivr h PHE 98 Cb -0.10 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3ivr h PHE 98 CO -0.02 0.14 0.21 0.28 -2.23 0.00 0.00 178.31 176.70 3ivr h VAL 99 N 0.02 0.94 -0.46 1.41 2.07 -0.76 0.46 116.25 119.94 3ivr h VAL 99 Ca 0.03 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3ivr h VAL 99 Cb 0.08 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3ivr h VAL 99 CO -0.00 0.08 -0.01 -0.07 0.02 0.00 0.00 177.57 177.58 3ivr h LEU 100 N 0.42 0.81 -0.67 2.57 3.38 -1.06 -0.09 115.31 120.67 3ivr h LEU 100 Ca 0.20 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3ivr h LEU 100 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ivr h LEU 100 CO -0.15 0.93 -0.28 1.23 0.09 0.00 0.00 178.44 180.25 3ivr h GLY 101 N 0.67 0.79 0.93 0.83 0.00 -0.94 -1.19 103.07 104.15 3ivr h GLY 101 Ca 0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 3ivr h GLY 101 CO 0.03 0.65 0.08 -1.80 0.00 0.00 0.00 176.54 175.49 3ivr h ASP 102 N 0.62 0.60 0.35 0.19 3.58 0.12 -3.22 116.42 118.65 3ivr h ASP 102 Ca 0.08 -0.25 -0.13 0.00 0.42 0.00 0.00 57.03 57.15 3ivr h ASP 102 Cb 0.80 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 3ivr h ASP 102 CO 0.07 0.69 -0.55 1.23 -2.88 0.00 0.00 179.24 177.80 3ivr h GLY 103 N 0.48 0.24 -5.86 -0.78 0.00 -0.96 -3.47 103.07 92.71 3ivr h GLY 103 Ca 0.12 -0.27 -0.26 0.00 0.00 0.00 0.00 47.33 46.92 3ivr h GLY 103 CO 0.00 0.24 -0.64 0.00 0.00 0.00 0.00 176.54 176.14 3ivr n ALA 104 N -2.47 -2.56 -1.75 3.60 0.00 -0.46 -4.76 120.51 112.11 3ivr n ALA 104 Ca -0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 3ivr n ALA 104 Cb 0.58 -3.17 -0.02 0.00 0.00 0.00 0.00 19.45 16.84 3ivr n ALA 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ivr s PRO 105 N -4.54 3.66 0.23 0.00 0.04 -1.26 -4.48 135.00 128.65 3ivr s PRO 105 Ca 0.25 1.20 0.21 0.00 0.04 0.00 0.00 61.00 62.71 3ivr s PRO 105 Cb -0.07 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.43 3ivr s PRO 105 CO 0.80 -0.53 1.13 0.77 0.04 0.00 0.00 177.00 179.22 3ivr h SER 106 N 1.00 0.00 -3.59 6.66 0.02 -1.07 -3.31 113.55 113.26 3ivr h SER 106 Ca -0.48 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.19 3ivr h SER 106 Cb 1.21 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.43 3ivr h SER 106 CO 0.59 0.10 -0.73 -0.69 -1.14 0.00 0.00 176.83 174.96 3ivr s VAL 107 N -3.26 -0.02 -0.07 2.27 1.01 -1.22 0.21 120.40 119.32 3ivr s VAL 107 Ca 0.01 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3ivr s VAL 107 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.37 3ivr s VAL 107 CO 0.77 0.07 -0.12 -0.69 0.00 0.00 0.00 175.10 175.13 3ivr s VAL 108 N 0.73 3.27 -0.13 2.92 1.01 -1.00 -0.84 120.40 126.36 3ivr s VAL 108 Ca -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3ivr s VAL 108 Cb -0.09 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.00 3ivr s VAL 108 CO -0.02 0.58 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 3ivr s VAL 109 N -0.58 1.54 -0.12 2.92 1.01 0.25 -1.31 120.40 124.12 3ivr s VAL 109 Ca 0.08 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3ivr s VAL 109 Cb -0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3ivr s VAL 109 CO 0.01 0.45 0.14 0.00 0.00 0.00 0.00 175.10 175.70 3ivr s ALA 110 N 1.22 3.86 1.13 5.51 0.00 0.61 -1.57 121.76 132.52 3ivr s ALA 110 Ca -0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 3ivr s ALA 110 Cb -0.14 -1.96 0.22 0.00 0.00 0.00 0.00 23.12 21.24 3ivr s ALA 110 CO -0.06 0.60 0.92 0.41 0.00 0.00 0.00 175.76 177.63 3ivr n GLY 111 N 2.04 -2.28 0.16 0.00 0.00 0.15 -1.74 105.19 103.53 3ivr n GLY 111 Ca -0.20 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 3ivr n GLY 111 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ivr h THR 112 N -2.19 1.26 -0.12 2.61 2.02 -1.87 -3.15 112.91 111.48 3ivr h THR 112 Ca -0.33 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 65.91 3ivr h THR 112 Cb 0.97 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3ivr h THR 112 CO 0.22 0.30 0.00 0.47 0.37 0.00 0.00 175.52 176.88 3ivr n ASP 113 N -4.59 1.47 0.00 4.18 8.00 -1.26 -4.10 116.55 120.24 3ivr n ASP 113 Ca -0.03 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.85 3ivr n ASP 113 Cb 0.26 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3ivr n ASP 113 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ivr n TYR 114 N 0.18 0.00 -0.10 1.24 4.01 -1.19 -4.71 117.16 116.59 3ivr n TYR 114 Ca 0.17 -0.19 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 3ivr n TYR 114 Cb 0.31 -0.02 0.49 0.00 -0.31 0.00 0.00 39.34 39.81 3ivr n TYR 114 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3ivr h ARG 115 N 0.00 0.42 0.63 -0.72 0.11 -1.70 -2.51 114.38 110.61 3ivr h ARG 115 Ca 0.00 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 3ivr h ARG 115 Cb 0.32 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.31 3ivr h ARG 115 CO 0.00 0.28 -0.30 -0.44 0.10 0.00 0.00 179.97 179.61 3ivr h ASP 116 N 0.44 -0.71 -0.95 0.08 3.45 -1.90 -2.53 116.42 114.28 3ivr h ASP 116 Ca 0.29 0.02 0.10 0.00 0.43 0.00 0.00 57.03 57.86 3ivr h ASP 116 Cb 0.54 0.18 -0.08 0.00 -0.56 0.00 0.00 39.33 39.42 3ivr h ASP 116 CO -0.08 -0.32 0.59 0.40 -1.57 0.00 0.00 179.24 178.26 3ivr h ILE 117 N -1.21 0.95 -0.42 0.35 2.04 -1.88 -1.86 117.51 115.48 3ivr h ILE 117 Ca -0.09 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 3ivr h ILE 117 Cb 0.65 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3ivr h ILE 117 CO 0.14 0.18 -0.11 0.58 0.00 0.00 0.00 178.15 178.94 3ivr h VAL 118 N 0.98 1.27 -0.82 1.67 2.07 -1.55 -2.95 116.25 116.91 3ivr h VAL 118 Ca 0.45 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.84 3ivr h VAL 118 Cb 0.38 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3ivr h VAL 118 CO -0.24 0.41 0.49 0.00 0.02 0.00 0.00 177.57 178.25 3ivr h ALA 119 N 0.86 1.14 -1.00 1.67 0.00 -0.90 -0.53 119.26 120.50 3ivr h ALA 119 Ca 0.11 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ivr h ALA 119 Cb 0.64 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3ivr h ALA 119 CO 0.04 0.19 0.65 0.78 0.00 0.00 0.00 179.25 180.91 3ivr h GLY 120 N 0.88 1.47 1.41 0.00 0.00 -1.34 -3.22 103.07 102.26 3ivr h GLY 120 Ca 0.37 -0.49 -0.28 0.00 0.00 0.00 0.00 47.33 46.93 3ivr h GLY 120 CO -0.20 0.41 -1.17 -2.08 0.00 0.00 0.00 176.54 173.50 3ivr h VAL 121 N 1.25 1.36 -1.00 4.60 2.07 -1.20 -3.39 116.25 119.94 3ivr h VAL 121 Ca 0.40 -2.60 0.26 0.00 0.82 0.00 0.00 66.70 65.58 3ivr h VAL 121 Cb 0.03 2.69 -0.13 0.00 -1.52 0.00 0.00 31.29 32.35 3ivr h VAL 121 CO -0.13 0.78 0.57 0.25 0.02 0.00 0.00 177.57 179.06 3ivr h LEU 122 N 0.21 0.61 -1.92 2.57 6.46 -1.13 -0.16 115.31 121.95 3ivr h LEU 122 Ca -0.15 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3ivr h LEU 122 Cb 1.85 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.85 3ivr h LEU 122 CO 0.21 0.03 -0.08 1.55 -0.62 0.00 0.00 178.44 179.53 3ivr h PRO 123 N 0.50 0.00 -0.06 5.25 0.13 -1.76 -2.59 132.00 133.46 3ivr h PRO 123 Ca 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.79 3ivr h PRO 123 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3ivr h PRO 123 CO -0.52 0.08 0.00 -1.13 -0.23 0.00 0.00 178.00 176.21 3ivr n SER 124 N -3.40 0.78 -4.64 1.44 3.41 -0.07 -4.82 113.62 106.32 3ivr n SER 124 Ca -0.01 -1.50 -0.35 0.00 -0.26 0.00 0.00 58.87 56.76 3ivr n SER 124 Cb 0.24 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 3ivr n SER 124 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ivr s LEU 125 N -1.66 3.72 0.00 1.04 1.43 -0.98 -4.99 118.68 117.24 3ivr s LEU 125 Ca 0.33 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3ivr s LEU 125 Cb 0.16 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3ivr s LEU 125 CO 0.26 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.68 3ivr n GLY 126 N 3.13 0.12 1.14 -3.19 0.00 -1.26 -4.45 105.19 100.68 3ivr n GLY 126 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3ivr n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ivr n GLY 127 N 2.18 1.50 3.60 -0.02 0.00 -1.26 -4.82 105.19 106.38 3ivr n GLY 127 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ivr n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ivr s VAL 128 N 0.37 3.62 -0.06 1.61 0.11 -1.25 -4.48 120.40 120.33 3ivr s VAL 128 Ca 0.00 0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 3ivr s VAL 128 Cb 0.00 -3.79 -0.30 0.00 -1.53 0.00 0.00 36.38 30.76 3ivr s VAL 128 CO 0.00 -0.48 0.65 0.11 -3.33 0.00 0.00 175.10 172.05 3ivr h LYS 129 N 11.96 0.38 -3.86 1.54 1.57 -0.52 -3.48 116.57 124.16 3ivr h LYS 129 Ca -0.32 -0.65 -0.14 0.00 -1.87 0.00 0.00 60.65 57.66 3ivr h LYS 129 Cb 1.15 0.24 -0.19 0.00 0.08 0.00 0.00 32.23 33.51 3ivr h LYS 129 CO 1.04 1.31 -0.59 0.15 -0.57 0.00 0.00 179.45 180.79 3ivr s LYS 130 N -2.57 0.48 0.01 3.15 -0.14 -1.22 -5.07 119.74 114.39 3ivr s LYS 130 Ca -0.17 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 53.77 3ivr s LYS 130 Cb 0.05 0.18 -0.01 0.00 -1.68 0.00 0.00 37.83 36.38 3ivr s LYS 130 CO 0.84 -0.10 -0.09 0.00 -0.76 0.00 0.00 175.35 175.24 3ivr s ALA 131 N -2.17 0.74 0.09 5.17 0.00 -1.26 -2.38 121.76 121.96 3ivr s ALA 131 Ca -0.09 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3ivr s ALA 131 Cb -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3ivr s ALA 131 CO -0.03 0.15 -0.08 0.71 0.00 0.00 0.00 175.76 176.51 3ivr s TYR 132 N -0.45 0.92 0.05 0.00 1.51 -0.43 -1.35 117.35 117.60 3ivr s TYR 132 Ca 0.01 -0.74 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 3ivr s TYR 132 Cb -0.05 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.26 3ivr s TYR 132 CO 0.00 -0.08 -0.14 0.00 -1.11 0.00 0.00 175.55 174.22 3ivr s ALA 133 N -2.80 1.20 -0.30 3.71 0.00 -0.27 -0.28 121.76 123.02 3ivr s ALA 133 Ca 0.06 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 3ivr s ALA 133 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3ivr s ALA 133 CO -0.02 0.21 0.42 0.42 0.00 0.00 0.00 175.76 176.79 3ivr s ILE 134 N -0.96 5.13 0.00 0.00 1.01 -0.71 -0.30 121.20 125.37 3ivr s ILE 134 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.14 3ivr s ILE 134 Cb -0.08 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3ivr s ILE 134 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3ivr n GLY 135 N 4.71 1.56 3.35 6.18 0.00 -1.26 -3.63 105.19 116.10 3ivr n GLY 135 Ca -0.07 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 3ivr n GLY 135 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ivr s ASP 136 N -4.00 -0.08 -0.43 1.61 -4.77 -1.26 -4.87 116.67 102.87 3ivr s ASP 136 Ca 0.00 -0.59 -0.07 0.00 -3.30 0.00 0.00 52.55 48.59 3ivr s ASP 136 Cb 0.00 0.46 -0.19 0.00 -1.09 0.00 0.00 42.92 42.09 3ivr s ASP 136 CO 0.00 -0.88 3.38 0.61 0.70 0.00 0.00 175.17 178.98 3ivr n GLY 137 N -0.21 3.45 3.55 2.12 0.00 -1.26 -4.79 105.19 108.05 3ivr n GLY 137 Ca -0.12 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3ivr n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ivr s SER 138 N 1.86 5.83 0.00 1.61 1.04 -1.26 -4.53 113.70 118.24 3ivr s SER 138 Ca 0.67 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.89 3ivr s SER 138 Cb 0.29 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3ivr s SER 138 CO -0.03 -2.04 0.00 0.61 0.98 0.00 0.00 173.24 172.75 3ivr n GLY 139 N 5.59 0.36 0.00 7.32 0.00 -1.26 -4.74 105.19 112.46 3ivr n GLY 139 Ca 0.11 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 44.23 3ivr n GLY 139 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ivr n PRO 140 N 0.00 0.20 -3.48 1.61 -0.02 -1.26 -4.83 135.00 127.21 3ivr n PRO 140 Ca 0.00 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.29 3ivr n PRO 140 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3ivr n PRO 140 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3ivr s PHE 141 N -2.53 3.56 0.65 6.00 0.40 -1.26 -4.74 117.98 120.05 3ivr s PHE 141 Ca 0.13 0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 57.23 3ivr s PHE 141 Cb 0.09 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.36 3ivr s PHE 141 CO 0.19 0.44 1.04 0.00 0.70 0.00 0.00 175.22 177.59 3ivr s ALA 142 N -1.51 3.04 0.49 5.36 0.00 -0.46 -4.48 121.76 124.20 3ivr s ALA 142 Ca 0.38 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 3ivr s ALA 142 Cb -0.14 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3ivr s ALA 142 CO 0.19 -0.86 1.03 -1.25 0.00 0.00 0.00 175.76 174.88 3ivr s PRO 143 N -5.23 3.79 0.48 0.00 0.04 -1.26 -1.12 135.00 131.70 3ivr s PRO 143 Ca 0.56 1.33 0.19 0.00 0.04 0.00 0.00 61.00 63.12 3ivr s PRO 143 Cb -0.11 -2.10 1.20 0.00 0.04 0.00 0.00 34.50 33.54 3ivr s PRO 143 CO 0.52 -0.43 1.97 0.35 0.04 0.00 0.00 177.00 179.45 3ivr h PHE 144 N 1.48 0.25 0.00 0.56 3.57 -0.99 -0.97 116.94 120.84 3ivr h PHE 144 Ca -0.49 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 3ivr h PHE 144 Cb 1.22 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 3ivr h PHE 144 CO 0.57 0.11 -0.00 1.57 -2.23 0.00 0.00 178.31 178.32 3ivr h LYS 145 N 0.22 0.00 0.00 1.11 2.10 -1.92 -1.34 116.57 116.75 3ivr h LYS 145 Ca 0.29 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.93 3ivr h LYS 145 Cb 0.84 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3ivr h LYS 145 CO -0.06 0.00 -0.04 -0.44 -2.00 0.00 0.00 179.45 176.92 3ivr h ASP 146 N 0.00 0.00 -0.34 7.07 3.45 -1.55 -3.26 116.42 121.79 3ivr h ASP 146 Ca -0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 3ivr h ASP 146 Cb 0.10 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 3ivr h ASP 146 CO 0.00 0.04 0.09 0.25 -1.57 0.00 0.00 179.24 178.04 3ivr h LEU 147 N 0.00 0.50 -9.97 1.55 5.85 -1.39 -3.44 115.31 108.41 3ivr h LEU 147 Ca -0.00 -0.23 -0.55 0.00 0.84 0.00 0.00 57.88 57.95 3ivr h LEU 147 Cb 0.67 -0.13 0.12 0.00 0.37 0.00 0.00 40.66 41.69 3ivr h LEU 147 CO 0.00 0.60 0.70 0.00 -0.34 0.00 0.00 178.44 179.40 3ivr n ALA 148 N -2.32 2.04 -2.56 1.25 0.00 -1.23 -3.83 120.51 113.85 3ivr n ALA 148 Ca -0.02 0.26 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 3ivr n ALA 148 Cb 0.19 -2.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.13 3ivr n ALA 148 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ivr s SER 149 N -0.43 2.00 0.00 0.00 0.15 -0.71 -4.81 113.70 109.90 3ivr s SER 149 Ca 0.60 -0.74 0.24 0.00 0.70 0.00 0.00 55.95 56.75 3ivr s SER 149 Cb -0.46 -0.08 0.29 0.00 -1.71 0.00 0.00 66.02 64.07 3ivr s SER 149 CO 0.58 -0.09 1.27 0.47 1.20 0.00 0.00 173.24 176.67 3ivr n ASP 150 N 0.82 1.25 -4.68 5.45 10.43 -1.26 -4.63 116.55 123.94 3ivr n ASP 150 Ca -0.18 -1.00 -0.44 0.00 2.57 0.00 0.00 54.79 55.74 3ivr n ASP 150 Cb 0.56 0.42 -0.04 0.00 1.84 0.00 0.00 41.12 43.90 3ivr n ASP 150 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 3ivr n THR 151 N -0.75 0.54 -1.65 -3.53 -1.04 -1.26 -4.90 114.28 101.69 3ivr n THR 151 Ca 0.09 -0.10 -0.45 0.00 -2.04 0.00 0.00 64.05 61.55 3ivr n THR 151 Cb 0.38 -2.07 -0.03 0.00 -1.82 0.00 0.00 70.33 66.79 3ivr n THR 151 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ivr n PRO 152 N 6.40 1.88 -2.53 -2.82 -0.04 -1.26 -4.83 135.00 131.80 3ivr n PRO 152 Ca 0.20 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 3ivr n PRO 152 Cb 0.36 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 3ivr n PRO 152 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3ivr s PHE 153 N -0.12 3.25 -0.20 0.54 5.36 -1.26 -5.03 117.98 120.52 3ivr s PHE 153 Ca 0.68 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 57.98 3ivr s PHE 153 Cb -0.68 -3.36 0.03 0.00 -0.34 0.00 0.00 43.02 38.67 3ivr s PHE 153 CO 0.51 -1.02 -0.15 0.45 -1.46 0.00 0.00 175.22 173.54 3ivr s SER 154 N 1.41 3.46 0.06 6.13 0.15 -1.26 -5.11 113.70 118.53 3ivr s SER 154 Ca 0.53 -0.86 -0.31 0.00 0.70 0.00 0.00 55.95 56.01 3ivr s SER 154 Cb -0.22 -1.41 -0.06 0.00 -1.71 0.00 0.00 66.02 62.62 3ivr s SER 154 CO 0.19 -0.08 1.25 0.00 1.20 0.00 0.00 173.24 175.80 3ivr s ALA 155 N 1.29 3.45 1.13 5.45 0.00 -1.26 -5.03 121.76 126.78 3ivr s ALA 155 Ca 0.00 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 3ivr s ALA 155 Cb -0.15 -3.48 0.25 0.00 0.00 0.00 0.00 23.12 19.75 3ivr s ALA 155 CO -0.10 -0.51 1.06 -1.25 0.00 0.00 0.00 175.76 174.96 3ivr s PRO 156 N 1.21 -0.62 -0.14 0.00 0.04 -1.26 -5.00 135.00 129.23 3ivr s PRO 156 Ca 0.60 0.48 -0.23 0.00 0.04 0.00 0.00 61.00 61.89 3ivr s PRO 156 Cb -0.31 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3ivr s PRO 156 CO 0.29 -3.43 0.73 -2.00 0.04 0.00 0.00 177.00 172.63 3ivr s GLU 157 N -4.86 4.33 0.17 4.56 2.56 -1.26 -4.96 118.70 119.23 3ivr s GLU 157 Ca 0.67 0.86 -0.24 0.00 0.00 0.00 0.00 54.97 56.27 3ivr s GLU 157 Cb -0.19 -3.53 0.06 0.00 2.00 0.00 0.00 34.13 32.47 3ivr s GLU 157 CO 0.60 -0.16 0.74 -0.59 -0.56 0.00 0.00 175.26 175.29 3ivr s PHE 158 N 1.58 -0.33 0.42 5.30 -0.12 -1.26 -4.96 117.98 118.60 3ivr s PHE 158 Ca 0.35 0.04 0.07 0.00 -0.05 0.00 0.00 56.93 57.35 3ivr s PHE 158 Cb -0.17 0.62 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 3ivr s PHE 158 CO 0.14 -0.92 0.09 0.20 -0.05 0.00 0.00 175.22 174.68 3ivr s GLY 159 N -2.79 2.45 0.58 1.99 0.00 -1.26 -4.82 107.32 103.46 3ivr s GLY 159 Ca 0.07 -2.15 0.35 0.00 0.00 0.00 0.00 44.72 42.99 3ivr s GLY 159 CO -0.04 -2.02 2.13 0.00 0.00 0.00 0.00 173.10 173.18 3ivr h ALA 160 N 1.59 1.10 -0.00 3.20 0.00 -1.96 -2.68 119.26 120.51 3ivr h ALA 160 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ivr h ALA 160 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ivr h ALA 160 CO 0.75 0.06 -0.00 0.00 0.00 0.00 0.00 179.25 180.06 3ivr n ALA 161 N -2.16 2.36 -1.77 0.00 0.00 -1.26 -0.85 120.51 116.82 3ivr n ALA 161 Ca -0.01 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 3ivr n ALA 161 Cb 0.21 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 3ivr n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ivr s ASP 162 N -2.94 5.85 0.38 0.00 1.01 -1.01 -4.80 116.67 115.16 3ivr s ASP 162 Ca 0.16 2.12 -0.26 0.00 0.71 0.00 0.00 52.55 55.28 3ivr s ASP 162 Cb 0.19 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.43 3ivr s ASP 162 CO 0.52 -1.13 1.12 0.61 0.21 0.00 0.00 175.17 176.50 3ivr n GLY 163 N 0.06 0.09 0.00 0.21 0.00 -1.26 -3.44 105.19 100.84 3ivr n GLY 163 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3ivr n GLY 163 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ivr n PHE 164 N -0.13 0.00 -3.77 1.61 7.35 0.24 -4.55 117.46 118.21 3ivr n PHE 164 Ca 0.08 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.64 3ivr n PHE 164 Cb 0.37 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.09 3ivr n PHE 164 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3ivr s VAL 165 N -1.74 -0.00 -0.27 -2.13 0.11 -0.78 0.05 120.40 115.63 3ivr s VAL 165 Ca 0.00 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.99 3ivr s VAL 165 Cb 0.00 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3ivr s VAL 165 CO 0.00 0.00 0.07 -0.63 -3.33 0.00 0.00 175.10 171.22 3ivr s ILE 166 N 0.23 4.11 -0.30 7.04 1.01 -0.52 -1.11 121.20 131.66 3ivr s ILE 166 Ca -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3ivr s ILE 166 Cb -0.03 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.46 3ivr s ILE 166 CO -0.00 0.21 0.03 -0.63 0.00 0.00 0.00 174.94 174.55 3ivr s ILE 167 N 1.55 3.41 -0.07 2.92 1.01 -0.10 -4.27 121.20 125.65 3ivr s ILE 167 Ca 0.05 -1.06 -0.23 0.00 0.00 0.00 0.00 60.65 59.41 3ivr s ILE 167 Cb -0.16 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3ivr s ILE 167 CO 0.03 -0.00 0.70 -1.00 0.00 0.00 0.00 174.94 174.66 3ivr s HIS 168 N 1.37 3.57 -0.04 3.97 3.76 -1.26 -0.62 115.29 126.05 3ivr s HIS 168 Ca -0.01 1.24 0.03 0.00 -0.15 0.00 0.00 55.06 56.17 3ivr s HIS 168 Cb -0.18 -2.80 0.00 0.00 1.11 0.00 0.00 32.58 30.71 3ivr s HIS 168 CO -0.00 0.08 -0.12 0.95 -0.85 0.00 0.00 174.74 174.81 3ivr s THR 169 N 0.82 1.00 0.03 1.30 -4.23 -1.03 -4.90 115.64 108.62 3ivr s THR 169 Ca 0.37 -0.47 -0.30 0.00 -1.18 0.00 0.00 61.69 60.11 3ivr s THR 169 Cb -0.18 -0.88 -0.08 0.00 1.34 0.00 0.00 72.50 72.70 3ivr s THR 169 CO 0.18 0.30 1.69 0.00 -0.54 0.00 0.00 174.62 176.26 3ivr s ALA 170 N 0.22 3.65 -0.10 3.99 0.00 -1.26 -2.06 121.76 126.19 3ivr s ALA 170 Ca -0.05 1.14 0.14 0.00 0.00 0.00 0.00 51.96 53.19 3ivr s ALA 170 Cb -0.10 -3.73 -0.24 0.00 0.00 0.00 0.00 23.12 19.05 3ivr s ALA 170 CO 0.01 -1.25 0.44 0.00 0.00 0.00 0.00 175.76 174.96 3ivr n ALA 171 N 6.32 1.48 -0.14 0.00 0.00 -1.26 -4.93 120.51 121.98 3ivr n ALA 171 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3ivr n ALA 171 Cb 0.41 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3ivr n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivr n GLY 174 N 1.64 -1.85 3.76 0.00 0.00 -1.26 -5.05 105.19 102.43 3ivr n GLY 174 Ca -0.23 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 3ivr n GLY 174 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ivr s ARG 175 N 0.00 3.11 0.33 1.61 6.06 -1.26 -5.00 118.95 123.80 3ivr s ARG 175 Ca 0.00 1.75 -0.29 0.00 -2.50 0.00 0.00 55.73 54.69 3ivr s ARG 175 Cb 0.00 -1.96 -0.10 0.00 0.06 0.00 0.00 34.95 32.95 3ivr s ARG 175 CO 0.00 -1.08 1.33 -2.14 -2.50 0.00 0.00 175.30 170.92 3ivr s PRO 176 N -3.32 4.33 -0.15 5.12 0.02 -1.26 -4.67 135.00 135.06 3ivr s PRO 176 Ca 0.76 2.26 0.02 0.00 0.02 0.00 0.00 61.00 64.05 3ivr s PRO 176 Cb -0.28 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.19 3ivr s PRO 176 CO 0.31 -0.23 -0.21 0.50 -0.33 0.00 0.00 177.00 177.04 3ivr s ARG 177 N -1.76 3.04 -0.24 5.54 3.52 -0.87 -4.88 118.95 123.29 3ivr s ARG 177 Ca 0.50 -0.83 -0.25 0.00 -0.13 0.00 0.00 55.73 55.01 3ivr s ARG 177 Cb -0.41 -2.49 -0.00 0.00 -1.56 0.00 0.00 34.95 30.49 3ivr s ARG 177 CO 0.54 -0.06 0.85 0.20 -0.81 0.00 0.00 175.30 176.02 3ivr s GLY 178 N 0.93 1.76 -0.27 8.12 0.00 -1.26 -2.45 107.32 114.15 3ivr s GLY 178 Ca -0.04 -0.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.40 3ivr s GLY 178 CO -0.04 1.84 0.54 0.00 0.00 0.00 0.00 173.10 175.44 3ivr s ALA 179 N 2.86 3.58 -0.26 3.20 0.00 0.21 0.12 121.76 131.47 3ivr s ALA 179 Ca 0.36 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 3ivr s ALA 179 Cb -0.15 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 3ivr s ALA 179 CO 0.07 -0.82 0.49 -1.17 0.00 0.00 0.00 175.76 174.33 3ivr s LEU 180 N 2.37 4.05 -0.03 0.00 2.96 -0.59 -0.92 118.68 126.52 3ivr s LEU 180 Ca 0.22 0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.68 3ivr s LEU 180 Cb -0.16 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 3ivr s LEU 180 CO 0.10 -0.26 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.00 3ivr s ILE 181 N 2.22 1.92 0.56 6.68 1.01 -0.27 -1.10 121.20 132.23 3ivr s ILE 181 Ca 0.20 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3ivr s ILE 181 Cb -0.16 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.72 3ivr s ILE 181 CO 0.09 0.54 0.83 -0.94 0.00 0.00 0.00 174.94 175.46 3ivr s SER 182 N -0.40 5.48 0.15 3.58 1.04 -1.26 -0.59 113.70 121.70 3ivr s SER 182 Ca 0.04 0.40 -0.15 0.00 0.48 0.00 0.00 55.95 56.73 3ivr s SER 182 Cb -0.11 -1.39 0.03 0.00 0.10 0.00 0.00 66.02 64.65 3ivr s SER 182 CO 0.01 -1.06 1.76 1.56 0.98 0.00 0.00 173.24 176.49 3ivr h GLN 183 N -0.03 0.67 -0.68 4.02 4.20 -1.55 -3.00 115.11 118.74 3ivr h GLN 183 Ca -0.45 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.13 3ivr h GLN 183 Cb 1.27 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 3ivr h GLN 183 CO 0.58 0.53 0.24 0.78 -0.67 0.00 0.00 178.83 180.29 3ivr h GLY 184 N 0.62 1.11 -0.42 3.46 0.00 -1.31 -0.31 103.07 106.23 3ivr h GLY 184 Ca 0.17 -0.64 0.07 0.00 0.00 0.00 0.00 47.33 46.93 3ivr h GLY 184 CO -0.03 0.60 -0.49 3.43 0.00 0.00 0.00 176.54 180.05 3ivr h ASN 185 N 0.98 -1.66 -0.25 0.19 -0.26 -1.73 -0.54 115.58 112.31 3ivr h ASN 185 Ca 0.22 0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 56.18 3ivr h ASN 185 Cb 0.26 0.71 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 3ivr h ASN 185 CO -0.01 -0.37 0.07 -0.07 -1.06 0.00 0.00 177.43 175.98 3ivr h LEU 186 N -0.32 0.37 -0.35 1.61 3.38 -1.34 -0.94 115.31 117.72 3ivr h LEU 186 Ca 0.12 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ivr h LEU 186 Cb 0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ivr h LEU 186 CO -0.63 0.49 0.22 -0.07 0.09 0.00 0.00 178.44 178.55 3ivr h LEU 187 N 0.23 0.38 -0.24 1.67 3.38 -0.83 -0.39 115.31 119.50 3ivr h LEU 187 Ca 0.08 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3ivr h LEU 187 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ivr h LEU 187 CO -0.00 0.27 -0.40 -0.29 0.09 0.00 0.00 178.44 178.11 3ivr h ILE 188 N 0.45 1.31 -0.48 1.22 2.10 -1.06 -1.50 117.51 119.55 3ivr h ILE 188 Ca 0.13 -1.61 0.07 0.00 1.08 0.00 0.00 64.86 64.53 3ivr h ILE 188 Cb -0.04 1.74 -0.06 0.00 -1.09 0.00 0.00 36.82 37.37 3ivr h ILE 188 CO -0.04 0.51 0.16 0.00 -1.08 0.00 0.00 178.15 177.70 3ivr h ALA 189 N 0.64 0.58 0.00 0.18 0.00 -1.01 -2.85 119.26 116.80 3ivr h ALA 189 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ivr h ALA 189 Cb 1.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ivr h ALA 189 CO 0.09 -0.23 0.00 1.96 0.00 0.00 0.00 179.25 181.07 3ivr h GLN 190 N 0.33 0.00 0.00 0.00 4.20 -0.98 -3.01 115.11 115.65 3ivr h GLN 190 Ca 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3ivr h GLN 190 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3ivr h GLN 190 CO -0.24 0.00 -0.05 0.66 -0.67 0.00 0.00 178.83 178.53 3ivr h SER 191 N 0.00 0.00 0.77 1.46 4.64 -1.02 -1.77 113.55 117.63 3ivr h SER 191 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3ivr h SER 191 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 3ivr h SER 191 CO 0.00 0.05 -0.89 0.28 -0.87 0.00 0.00 176.83 175.39 3ivr h SER 192 N 0.00 0.10 -0.13 4.97 0.02 -1.63 -2.37 113.55 114.52 3ivr h SER 192 Ca -0.00 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3ivr h SER 192 Cb 0.14 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3ivr h SER 192 CO 0.01 0.94 -0.16 0.25 -1.14 0.00 0.00 176.83 176.72 3ivr h LEU 193 N 0.04 0.36 -0.58 5.07 5.85 -1.48 -0.27 115.31 124.30 3ivr h LEU 193 Ca -0.03 -0.51 0.12 0.00 0.84 0.00 0.00 57.88 58.30 3ivr h LEU 193 Cb 1.55 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.38 3ivr h LEU 193 CO 0.12 0.80 -0.05 0.58 -0.34 0.00 0.00 178.44 179.55 3ivr h VAL 194 N -0.07 0.48 0.28 1.05 2.07 -1.45 -0.58 116.25 118.04 3ivr h VAL 194 Ca 0.02 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3ivr h VAL 194 Cb 0.71 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3ivr h VAL 194 CO 0.04 0.01 -0.14 -0.78 0.02 0.00 0.00 177.57 176.73 3ivr h ASP 195 N 0.07 -0.32 -0.75 0.57 3.58 -1.39 0.32 116.42 118.50 3ivr h ASP 195 Ca 0.29 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.63 3ivr h ASP 195 Cb 0.46 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 3ivr h ASP 195 CO -0.53 -0.05 0.50 0.00 -2.88 0.00 0.00 179.24 176.27 3ivr h ALA 196 N 0.05 1.49 -0.48 -0.78 0.00 -0.84 -2.44 119.26 116.26 3ivr h ALA 196 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ivr h ALA 196 Cb 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ivr h ALA 196 CO 0.06 0.46 0.00 0.91 0.00 0.00 0.00 179.25 180.68 3ivr n TRP 197 N -4.43 0.63 -4.05 0.00 8.01 -0.24 -4.96 117.44 112.40 3ivr n TRP 197 Ca 0.09 -0.32 -0.31 0.00 -1.31 0.00 0.00 57.50 55.65 3ivr n TRP 197 Cb 0.06 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.35 3ivr n TRP 197 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3ivr n ARG 198 N 1.35 -3.79 -2.18 -0.99 1.74 -0.55 -4.89 116.66 107.35 3ivr n ARG 198 Ca 0.20 0.44 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 3ivr n ARG 198 Cb 0.56 -5.00 -0.03 0.00 -1.02 0.00 0.00 32.46 26.97 3ivr n ARG 198 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ivr s LEU 199 N -7.15 4.43 0.00 0.55 1.43 -0.01 -5.02 118.68 112.91 3ivr s LEU 199 Ca 0.45 2.51 0.03 0.00 -1.03 0.00 0.00 54.13 56.09 3ivr s LEU 199 Cb -0.24 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 3ivr s LEU 199 CO 0.89 -0.52 0.12 0.35 0.23 0.00 0.00 176.35 177.42 3ivr n THR 200 N 1.97 0.00 0.27 5.49 -2.24 -1.26 -4.92 114.28 113.59 3ivr n THR 200 Ca 0.04 -1.84 0.10 0.00 -2.27 0.00 0.00 64.05 60.08 3ivr n THR 200 Cb 0.42 0.68 0.47 0.00 -2.10 0.00 0.00 70.33 69.81 3ivr n THR 200 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3ivr n GLU 201 N -0.69 0.14 0.08 -0.78 0.00 -1.06 -2.14 120.64 116.19 3ivr n GLU 201 Ca -0.04 0.51 0.13 0.00 0.00 0.00 0.00 57.16 57.76 3ivr n GLU 201 Cb 0.47 -1.85 0.36 0.00 0.00 0.00 0.00 31.44 30.42 3ivr n GLU 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ivr n ALA 202 N -1.73 2.49 -1.72 -1.84 0.00 -1.26 -4.20 120.51 112.25 3ivr n ALA 202 Ca 0.01 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3ivr n ALA 202 Cb 0.12 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.20 3ivr n ALA 202 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ivr s ASP 203 N -4.29 5.94 -0.05 0.00 1.01 -0.91 -4.93 116.67 113.43 3ivr s ASP 203 Ca 0.10 1.61 -0.02 0.00 0.71 0.00 0.00 52.55 54.95 3ivr s ASP 203 Cb 0.13 -2.50 0.04 0.00 1.01 0.00 0.00 42.92 41.60 3ivr s ASP 203 CO 0.63 -1.06 0.09 -0.69 0.21 0.00 0.00 175.17 174.35 3ivr s VAL 204 N -2.84 -0.15 0.02 -1.27 1.01 -1.26 -1.89 120.40 114.03 3ivr s VAL 204 Ca 0.59 0.38 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 3ivr s VAL 204 Cb -0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 3ivr s VAL 204 CO 0.45 0.16 0.34 0.21 0.00 0.00 0.00 175.10 176.25 3ivr s ASN 205 N 2.07 6.60 -0.51 3.32 3.04 0.54 -0.70 114.94 129.31 3ivr s ASN 205 Ca 0.03 0.72 -0.15 0.00 0.04 0.00 0.00 52.86 53.49 3ivr s ASN 205 Cb -0.12 -2.15 0.11 0.00 -1.54 0.00 0.00 41.25 37.55 3ivr s ASN 205 CO -0.04 0.25 0.45 -0.22 -3.04 0.00 0.00 177.10 174.50 3ivr s LEU 206 N -1.62 5.96 -1.02 3.21 2.96 -0.84 -0.55 118.68 126.78 3ivr s LEU 206 Ca 0.28 -1.63 -0.22 0.00 -0.22 0.00 0.00 54.13 52.34 3ivr s LEU 206 Cb -0.14 -2.19 0.06 0.00 0.50 0.00 0.00 46.19 44.42 3ivr s LEU 206 CO 0.15 -0.78 1.42 -0.83 -1.32 0.00 0.00 176.35 175.00 3ivr s GLY 207 N 3.20 1.38 -0.05 7.98 0.00 0.70 -4.55 107.32 115.98 3ivr s GLY 207 Ca 0.03 -2.37 0.19 0.00 0.00 0.00 0.00 44.72 42.58 3ivr s GLY 207 CO 0.04 2.59 0.38 1.15 0.00 0.00 0.00 173.10 177.26 3ivr n MET 208 N 8.52 0.66 -2.58 2.90 0.00 -1.26 -3.63 117.12 121.73 3ivr n MET 208 Ca 0.33 -0.15 -0.32 0.00 0.00 0.00 0.00 57.70 57.55 3ivr n MET 208 Cb 0.50 -1.47 -0.05 0.00 0.00 0.00 0.00 33.22 32.20 3ivr n MET 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3ivr s LEU 209 N -4.54 3.76 0.36 3.17 1.43 -1.26 -4.74 118.68 116.86 3ivr s LEU 209 Ca -0.08 1.60 -0.27 0.00 -1.03 0.00 0.00 54.13 54.35 3ivr s LEU 209 Cb 0.12 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 3ivr s LEU 209 CO 0.82 -0.49 1.26 -2.84 0.23 0.00 0.00 176.35 175.33 3ivr s PRO 210 N -3.70 4.23 0.01 1.29 0.02 -1.26 -4.73 135.00 130.86 3ivr s PRO 210 Ca 0.60 2.09 0.12 0.00 0.02 0.00 0.00 61.00 63.83 3ivr s PRO 210 Cb -0.10 -2.93 0.50 0.00 0.02 0.00 0.00 34.50 31.99 3ivr s PRO 210 CO 0.24 -0.25 1.37 1.28 -0.33 0.00 0.00 177.00 179.31 3ivr n LEU 211 N 0.54 0.02 0.22 -5.54 4.77 -1.26 -1.81 117.00 113.94 3ivr n LEU 211 Ca 0.02 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 3ivr n LEU 211 Cb 0.43 -0.50 0.33 0.00 -2.33 0.00 0.00 43.42 41.35 3ivr n LEU 211 CO 0.56 -0.32 0.87 2.19 -1.33 0.00 0.00 177.39 179.36 3ivr h PHE 212 N 0.00 0.00 -3.46 -1.77 -5.15 -1.90 -3.36 116.94 101.30 3ivr h PHE 212 Ca 0.00 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.24 3ivr h PHE 212 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.33 3ivr h PHE 212 CO 0.00 0.00 -0.05 -1.58 -2.00 0.00 0.00 178.31 174.68 3ivr s HIS 213 N -3.33 3.49 0.23 6.09 2.46 -0.75 -4.90 115.29 118.57 3ivr s HIS 213 Ca 0.06 1.03 -0.07 0.00 0.47 0.00 0.00 55.06 56.55 3ivr s HIS 213 Cb 0.07 -2.37 0.30 0.00 -0.13 0.00 0.00 32.58 30.45 3ivr s HIS 213 CO 0.62 0.29 1.84 -0.24 -2.47 0.00 0.00 174.74 174.78 3ivr h VAL 214 N 2.30 1.02 -0.46 0.89 3.04 -1.88 -1.01 116.25 120.15 3ivr h VAL 214 Ca -0.48 -0.30 -0.11 0.00 -1.01 0.00 0.00 66.70 64.81 3ivr h VAL 214 Cb 1.18 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 3ivr h VAL 214 CO 0.67 0.16 -0.13 0.74 -1.01 0.00 0.00 177.57 178.00 3ivr h THR 215 N 0.87 1.27 0.19 3.17 2.02 -1.94 0.60 112.91 119.08 3ivr h THR 215 Ca 0.35 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3ivr h THR 215 Cb 0.17 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3ivr h THR 215 CO -0.17 0.43 -0.09 1.23 0.37 0.00 0.00 175.52 177.29 3ivr h GLY 216 N 0.74 -0.26 0.97 2.16 0.00 -1.65 -0.20 103.07 104.84 3ivr h GLY 216 Ca 0.12 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3ivr h GLY 216 CO 0.05 -0.10 0.31 -2.00 0.00 0.00 0.00 176.54 174.80 3ivr h LEU 217 N -0.59 0.53 -0.47 3.11 5.85 -1.16 -2.64 115.31 119.94 3ivr h LEU 217 Ca -0.03 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3ivr h LEU 217 Cb 0.44 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3ivr h LEU 217 CO 0.04 0.38 0.23 1.23 -0.34 0.00 0.00 178.44 179.98 3ivr h GLY 218 N 0.63 0.72 1.02 3.75 0.00 0.25 -1.47 103.07 107.96 3ivr h GLY 218 Ca 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3ivr h GLY 218 CO -0.05 0.33 0.37 1.41 0.00 0.00 0.00 176.54 178.60 3ivr h LEU 219 N 0.61 0.99 0.03 3.11 -0.00 -0.98 0.21 115.31 119.27 3ivr h LEU 219 Ca 0.16 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3ivr h LEU 219 Cb 0.11 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.51 3ivr h LEU 219 CO -0.02 0.84 -0.02 -0.03 -0.00 0.00 0.00 178.44 179.20 3ivr h MET 220 N 1.06 -0.05 -0.61 1.13 4.05 -1.28 -2.56 114.93 116.67 3ivr h MET 220 Ca 0.26 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.62 3ivr h MET 220 Cb 0.11 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 3ivr h MET 220 CO -0.03 -0.03 0.11 -0.07 0.23 0.00 0.00 176.91 177.11 3ivr h LEU 221 N -0.05 0.92 -0.43 3.39 3.38 -1.14 -1.76 115.31 119.62 3ivr h LEU 221 Ca 0.00 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.84 3ivr h LEU 221 Cb 0.05 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3ivr h LEU 221 CO -0.00 0.91 0.07 0.74 0.09 0.00 0.00 178.44 180.25 3ivr h THR 222 N 0.92 0.75 -0.31 0.22 2.02 -0.49 0.20 112.91 116.22 3ivr h THR 222 Ca 0.19 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 3ivr h THR 222 Cb 0.38 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3ivr h THR 222 CO 0.01 0.04 -0.33 -0.07 0.37 0.00 0.00 175.52 175.54 3ivr h LEU 223 N 0.19 0.70 -0.57 2.58 -0.00 -1.26 -2.34 115.31 114.62 3ivr h LEU 223 Ca 0.21 -0.29 -0.03 0.00 -0.00 0.00 0.00 57.88 57.77 3ivr h LEU 223 Cb 0.27 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 3ivr h LEU 223 CO -0.29 0.97 0.24 -0.61 -0.00 0.00 0.00 178.44 178.75 3ivr h GLN 224 N 0.57 0.84 0.00 1.13 4.15 -1.01 0.39 115.11 121.18 3ivr h GLN 224 Ca 0.06 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 3ivr h GLN 224 Cb 0.83 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 3ivr h GLN 224 CO 0.07 0.72 -0.12 -0.56 -1.93 0.00 0.00 178.83 177.01 3ivr h GLN 225 N 0.77 0.00 0.00 1.69 3.07 -0.26 -1.20 115.11 119.18 3ivr h GLN 225 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.93 3ivr h GLN 225 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 3ivr h GLN 225 CO -0.02 0.12 -0.02 0.00 0.09 0.00 0.00 178.83 179.00 3ivr n ALA 226 N -2.27 2.36 -0.86 0.06 0.00 -0.90 -4.91 120.51 113.99 3ivr n ALA 226 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ivr n ALA 226 Cb 0.25 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3ivr n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivr n GLY 227 N 1.44 0.55 0.00 0.00 0.00 -0.45 -2.58 105.19 104.15 3ivr n GLY 227 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ivr n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ivr n GLY 228 N -2.86 0.06 3.24 -0.02 0.00 0.13 -4.50 105.19 101.24 3ivr n GLY 228 Ca 0.00 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 3ivr n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivr s ALA 229 N -3.35 1.53 -0.04 4.61 0.00 -0.79 -4.38 121.76 119.33 3ivr s ALA 229 Ca 0.00 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.80 3ivr s ALA 229 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3ivr s ALA 229 CO 0.00 0.19 -0.22 -1.12 0.00 0.00 0.00 175.76 174.61 3ivr s SER 230 N -2.16 3.37 -0.34 0.00 0.01 -0.68 -0.34 113.70 113.56 3ivr s SER 230 Ca 0.06 -0.40 -0.19 0.00 1.31 0.00 0.00 55.95 56.74 3ivr s SER 230 Cb -0.07 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 3ivr s SER 230 CO 0.03 0.30 0.54 -0.69 0.41 0.00 0.00 173.24 173.84 3ivr s VAL 231 N -0.50 5.00 -0.16 3.43 1.01 0.29 -0.82 120.40 128.64 3ivr s VAL 231 Ca 0.07 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 3ivr s VAL 231 Cb -0.11 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3ivr s VAL 231 CO 0.01 -0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 174.20 3ivr s ILE 232 N 2.45 3.30 0.21 2.22 1.09 -0.11 -0.22 121.20 130.13 3ivr s ILE 232 Ca 0.20 -0.56 0.11 0.00 -1.10 0.00 0.00 60.65 59.30 3ivr s ILE 232 Cb -0.15 -2.43 -0.05 0.00 -1.06 0.00 0.00 42.46 38.77 3ivr s ILE 232 CO 0.13 0.49 -0.21 0.00 -0.10 0.00 0.00 174.94 175.25 3ivr s ALA 233 N 0.69 2.45 0.14 9.38 0.00 -1.24 -3.79 121.76 129.39 3ivr s ALA 233 Ca -0.04 -1.67 -0.08 0.00 0.00 0.00 0.00 51.96 50.17 3ivr s ALA 233 Cb -0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3ivr s ALA 233 CO 0.02 0.34 1.39 0.00 0.00 0.00 0.00 175.76 177.51 3ivr h ALA 234 N 2.96 0.48 -3.16 0.00 0.00 -1.93 -3.42 119.26 114.19 3ivr h ALA 234 Ca -0.44 -0.56 -0.42 0.00 0.00 0.00 0.00 54.91 53.49 3ivr h ALA 234 Cb 1.22 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 3ivr h ALA 234 CO 0.52 0.70 -0.77 0.15 0.00 0.00 0.00 179.25 179.85 3ivr s LYS 235 N -3.88 0.94 -0.18 0.00 -0.14 -1.26 -4.47 119.74 110.75 3ivr s LYS 235 Ca -0.09 -1.11 -0.25 0.00 -1.36 0.00 0.00 55.97 53.16 3ivr s LYS 235 Cb 0.10 -0.89 -0.02 0.00 -1.68 0.00 0.00 37.83 35.34 3ivr s LYS 235 CO 0.88 0.18 0.81 0.12 -0.76 0.00 0.00 175.35 176.58 3ivr s PHE 236 N -1.73 3.41 -0.09 3.18 5.36 -1.26 -5.04 117.98 121.81 3ivr s PHE 236 Ca 0.04 1.21 -0.01 0.00 -0.96 0.00 0.00 56.93 57.21 3ivr s PHE 236 Cb -0.07 -2.99 0.03 0.00 -0.34 0.00 0.00 43.02 39.64 3ivr s PHE 236 CO 0.03 -0.24 -0.04 0.34 -1.46 0.00 0.00 175.22 173.84 3ivr s ASP 237 N 1.17 1.90 0.23 6.13 2.15 -1.26 -5.06 116.67 121.93 3ivr s ASP 237 Ca 0.37 -0.20 -0.07 0.00 0.43 0.00 0.00 52.55 53.07 3ivr s ASP 237 Cb -0.16 -0.66 0.38 0.00 -0.30 0.00 0.00 42.92 42.17 3ivr s ASP 237 CO 0.12 -0.15 1.70 -0.65 -0.17 0.00 0.00 175.17 176.02 3ivr h PRO 238 N 8.22 0.28 -0.13 4.34 0.11 -1.94 0.22 132.00 143.10 3ivr h PRO 238 Ca -0.26 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.64 3ivr h PRO 238 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ivr h PRO 238 CO 0.34 0.18 -0.73 0.00 -0.21 0.00 0.00 178.00 177.59 3ivr h ALA 239 N 1.54 0.48 -0.41 -0.75 0.00 -1.89 -2.02 119.26 116.21 3ivr h ALA 239 Ca 0.37 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3ivr h ALA 239 Cb 0.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ivr h ALA 239 CO -0.45 0.72 -0.06 0.37 0.00 0.00 0.00 179.25 179.83 3ivr h GLN 240 N 0.41 0.70 0.11 0.00 5.75 -1.81 -2.37 115.11 117.90 3ivr h GLN 240 Ca -0.04 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 3ivr h GLN 240 Cb 1.33 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 3ivr h GLN 240 CO 0.14 0.75 -0.10 0.00 -2.65 0.00 0.00 178.83 176.97 3ivr h ALA 241 N 1.29 -0.20 -0.95 3.38 0.00 -0.45 0.17 119.26 122.50 3ivr h ALA 241 Ca 0.12 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3ivr h ALA 241 Cb 0.49 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3ivr h ALA 241 CO 0.03 -0.63 0.59 0.00 0.00 0.00 0.00 179.25 179.24 3ivr h ALA 242 N 0.65 1.35 -0.37 0.00 0.00 -1.29 0.95 119.26 120.55 3ivr h ALA 242 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ivr h ALA 242 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ivr h ALA 242 CO -0.02 0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.46 3ivr h ARG 243 N 1.03 0.70 -0.81 0.00 3.08 -1.08 -2.38 114.38 114.92 3ivr h ARG 243 Ca 0.43 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3ivr h ARG 243 Cb 0.28 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3ivr h ARG 243 CO -0.21 0.84 0.54 -0.44 -1.07 0.00 0.00 179.97 179.63 3ivr h ASP 244 N 0.51 0.92 -0.44 7.04 3.32 -0.14 0.34 116.42 127.96 3ivr h ASP 244 Ca 0.10 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3ivr h ASP 244 Cb 0.57 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3ivr h ASP 244 CO 0.03 0.66 0.28 0.40 -1.72 0.00 0.00 179.24 178.89 3ivr h ILE 245 N 1.08 1.08 -0.10 0.35 2.04 -0.73 0.52 117.51 121.75 3ivr h ILE 245 Ca 0.30 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 3ivr h ILE 245 Cb -0.10 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3ivr h ILE 245 CO -0.07 0.10 -0.33 -0.08 0.00 0.00 0.00 178.15 177.77 3ivr h GLU 246 N 0.56 0.40 -0.44 2.37 4.81 -1.28 -2.06 114.58 118.93 3ivr h GLU 246 Ca 0.17 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3ivr h GLU 246 Cb -0.02 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3ivr h GLU 246 CO -0.06 0.92 0.14 0.00 -0.73 0.00 0.00 179.01 179.28 3ivr h ALA 247 N 0.48 0.58 -0.16 2.92 0.00 -0.19 -3.17 119.26 119.72 3ivr h ALA 247 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ivr h ALA 247 Cb 0.96 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ivr h ALA 247 CO 0.07 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.27 3ivr n HIS 248 N -4.56 0.18 -3.68 0.00 8.25 0.16 -4.97 115.22 110.60 3ivr n HIS 248 Ca 0.00 -0.09 -0.21 0.00 -0.26 0.00 0.00 57.72 57.16 3ivr n HIS 248 Cb 0.18 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.33 3ivr n HIS 248 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ivr n LYS 249 N 1.40 -5.16 -1.64 -0.41 4.76 -0.83 -4.90 118.16 111.38 3ivr n LYS 249 Ca 0.16 0.65 -0.48 0.00 -2.87 0.00 0.00 58.31 55.76 3ivr n LYS 249 Cb 0.60 -5.27 -0.05 0.00 -1.84 0.00 0.00 35.03 28.47 3ivr n LYS 249 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3ivr n VAL 250 N -4.29 0.01 -0.07 -0.18 0.31 -0.87 -4.64 118.33 108.60 3ivr n VAL 250 Ca -0.28 -0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.00 3ivr n VAL 250 Cb 0.67 -1.26 -0.13 0.00 -0.91 0.00 0.00 33.84 32.21 3ivr n VAL 250 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ivr n THR 251 N 3.09 0.95 -4.04 2.52 -2.24 0.13 -2.98 114.28 111.70 3ivr n THR 251 Ca 0.18 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 3ivr n THR 251 Cb 0.25 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 3ivr n THR 251 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ivr s VAL 252 N -2.54 0.20 0.02 2.28 -7.23 -0.87 0.13 120.40 112.40 3ivr s VAL 252 Ca -0.08 -1.35 -0.27 0.00 -1.81 0.00 0.00 61.98 58.46 3ivr s VAL 252 Cb 0.06 -0.89 0.09 0.00 0.56 0.00 0.00 36.38 36.20 3ivr s VAL 252 CO 0.69 -0.73 0.74 0.00 -0.31 0.00 0.00 175.10 175.49 3ivr s MET 253 N -2.64 1.02 0.17 4.82 0.23 -0.95 -1.98 119.30 119.97 3ivr s MET 253 Ca -0.05 -0.17 0.08 0.00 -1.03 0.00 0.00 55.69 54.53 3ivr s MET 253 Cb -0.01 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 3ivr s MET 253 CO -0.05 -0.40 -0.04 0.00 -2.03 0.00 0.00 175.02 172.49 3ivr s ALA 254 N -2.61 3.10 -0.16 3.16 0.00 -1.26 -2.02 121.76 121.97 3ivr s ALA 254 Ca -0.01 -1.38 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 3ivr s ALA 254 Cb -0.01 -0.91 0.06 0.00 0.00 0.00 0.00 23.12 22.27 3ivr s ALA 254 CO -0.04 0.50 0.60 -2.00 0.00 0.00 0.00 175.76 174.82 3ivr s GLU 255 N -2.81 0.81 -0.06 0.00 -6.30 -0.69 -4.71 118.70 104.94 3ivr s GLU 255 Ca 0.26 0.59 0.05 0.00 -2.50 0.00 0.00 54.97 53.36 3ivr s GLU 255 Cb -0.09 0.39 -0.02 0.00 0.00 0.00 0.00 34.13 34.40 3ivr s GLU 255 CO 0.17 -0.16 -0.20 -0.06 0.02 0.00 0.00 175.26 175.03 3ivr s PHE 256 N -0.25 2.56 0.16 5.30 0.08 -1.26 -2.62 117.98 121.95 3ivr s PHE 256 Ca -0.04 -0.50 -0.33 0.00 0.12 0.00 0.00 56.93 56.18 3ivr s PHE 256 Cb -0.03 -1.63 -0.17 0.00 -0.57 0.00 0.00 43.02 40.62 3ivr s PHE 256 CO 0.04 -0.07 0.99 0.00 -0.10 0.00 0.00 175.22 176.08 3ivr n ALA 257 N 2.77 -1.70 -0.48 5.36 0.00 -0.43 -1.51 120.51 124.53 3ivr n ALA 257 Ca -0.17 0.47 0.06 0.00 0.00 0.00 0.00 53.44 53.81 3ivr n ALA 257 Cb 0.52 -1.89 0.33 0.00 0.00 0.00 0.00 19.45 18.41 3ivr n ALA 257 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ivr n PRO 258 N 1.44 3.97 -0.15 0.00 -0.04 -1.26 -5.02 135.00 133.95 3ivr n PRO 258 Ca 0.16 -2.56 -0.04 0.00 -0.04 0.00 0.00 63.50 61.02 3ivr n PRO 258 Cb 0.22 -2.04 0.02 0.00 -0.04 0.00 0.00 33.50 31.67 3ivr n PRO 258 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3ivr h MET 259 N 3.38 -0.07 -0.50 0.54 2.86 -1.67 -0.69 114.93 118.77 3ivr h MET 259 Ca 0.00 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3ivr h MET 259 Cb 1.59 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.25 3ivr h MET 259 CO 0.35 -0.05 -0.02 1.25 1.06 0.00 0.00 176.91 179.50 3ivr h LEU 260 N -0.08 0.88 -0.53 1.22 5.85 -1.95 -0.83 115.31 119.88 3ivr h LEU 260 Ca 0.23 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3ivr h LEU 260 Cb 0.43 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3ivr h LEU 260 CO -0.53 0.98 0.22 1.23 -0.34 0.00 0.00 178.44 180.00 3ivr h GLY 261 N 0.75 0.73 1.58 3.75 0.00 -1.83 -0.51 103.07 107.54 3ivr h GLY 261 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3ivr h GLY 261 CO 0.03 0.04 -0.37 3.43 0.00 0.00 0.00 176.54 179.66 3ivr h ASN 262 N 0.42 0.50 -0.61 0.19 -0.26 -0.88 -2.00 115.58 112.94 3ivr h ASN 262 Ca 0.25 -0.21 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 3ivr h ASN 262 Cb 0.24 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 3ivr h ASN 262 CO -0.23 0.83 0.06 0.40 -1.06 0.00 0.00 177.43 177.42 3ivr h ILE 263 N 0.40 1.26 -0.30 2.81 2.04 -0.86 -2.79 117.51 120.07 3ivr h ILE 263 Ca 0.04 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3ivr h ILE 263 Cb 0.84 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3ivr h ILE 263 CO 0.07 0.39 0.01 -0.07 0.00 0.00 0.00 178.15 178.55 3ivr h LEU 264 N 0.93 0.42 -0.22 1.44 4.07 -0.74 -0.12 115.31 121.09 3ivr h LEU 264 Ca 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3ivr h LEU 264 Cb 0.49 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 3ivr h LEU 264 CO 0.02 0.48 0.09 0.44 -1.08 0.00 0.00 178.44 178.39 3ivr h ASP 265 N 0.44 0.30 0.35 -0.43 3.45 -1.29 -3.27 116.42 115.98 3ivr h ASP 265 Ca 0.10 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.40 3ivr h ASP 265 Cb 0.28 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3ivr h ASP 265 CO 0.01 0.38 -0.26 0.00 -1.57 0.00 0.00 179.24 177.80 3ivr n GLN 266 N -4.82 0.60 -4.56 3.56 3.00 -0.84 -4.90 117.38 109.43 3ivr n GLN 266 Ca -0.03 -0.31 -0.34 0.00 -0.01 0.00 0.00 57.00 56.30 3ivr n GLN 266 Cb 0.12 -1.49 -0.11 0.00 0.00 0.00 0.00 30.24 28.76 3ivr n GLN 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ivr s ALA 267 N -2.61 3.03 0.14 -1.58 0.00 -0.12 -4.87 121.76 115.75 3ivr s ALA 267 Ca 0.22 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 3ivr s ALA 267 Cb 0.19 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 3ivr s ALA 267 CO 0.54 0.53 1.09 0.00 0.00 0.00 0.00 175.76 177.93 3ivr s ALA 268 N -0.68 3.34 0.49 0.00 0.00 -1.26 -4.90 121.76 118.76 3ivr s ALA 268 Ca 0.10 0.77 0.34 0.00 0.00 0.00 0.00 51.96 53.18 3ivr s ALA 268 Cb -0.11 -3.36 1.47 0.00 0.00 0.00 0.00 23.12 21.12 3ivr s ALA 268 CO 0.02 -0.23 1.71 -1.35 0.00 0.00 0.00 175.76 175.90 3ivr h PRO 269 N 5.59 0.09 0.00 0.00 0.11 -1.93 0.15 132.00 136.01 3ivr h PRO 269 Ca -0.43 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3ivr h PRO 269 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3ivr h PRO 269 CO 0.74 0.06 -0.27 0.00 -0.21 0.00 0.00 178.00 178.32 3ivr h ALA 270 N 1.42 1.13 0.00 -0.75 0.00 -1.95 -2.66 119.26 116.45 3ivr h ALA 270 Ca 0.71 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 3ivr h ALA 270 Cb 2.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 3ivr h ALA 270 CO -0.17 0.34 -0.31 1.96 0.00 0.00 0.00 179.25 181.07 3ivr h GLN 271 N 0.00 0.00 -0.59 0.00 4.20 -1.06 -3.21 115.11 114.45 3ivr h GLN 271 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ivr h GLN 271 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3ivr h GLN 271 CO 0.04 0.31 0.00 1.28 -0.67 0.00 0.00 178.83 179.78 3ivr n LEU 272 N -3.71 3.39 0.22 1.46 4.77 -1.01 -2.98 117.00 119.15 3ivr n LEU 272 Ca -0.01 -1.66 0.13 0.00 -0.03 0.00 0.00 56.01 54.45 3ivr n LEU 272 Cb 0.41 -0.39 0.76 0.00 -2.33 0.00 0.00 43.42 41.86 3ivr n LEU 272 CO 0.35 0.83 1.12 0.00 -1.33 0.00 0.00 177.39 178.36 3ivr h ALA 273 N 4.23 1.91 0.00 -1.18 0.00 -1.56 -1.99 119.26 120.68 3ivr h ALA 273 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ivr h ALA 273 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ivr h ALA 273 CO 0.00 -0.15 0.00 0.66 0.00 0.00 0.00 179.25 179.76 3ivr h SER 274 N 0.00 0.00 -2.93 0.00 4.64 -1.81 -3.46 113.55 109.98 3ivr h SER 274 Ca 0.05 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.82 3ivr h SER 274 Cb 0.24 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.41 3ivr h SER 274 CO -0.00 0.00 0.79 0.18 -0.87 0.00 0.00 176.83 176.93 3ivr n LEU 275 N -2.88 3.79 0.00 5.97 4.77 -0.75 -4.25 117.00 123.65 3ivr n LEU 275 Ca 0.04 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 3ivr n LEU 275 Cb 0.48 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3ivr n LEU 275 CO 0.32 -0.10 -0.48 -1.14 -1.33 0.00 0.00 177.39 174.66 3ivr n ARG 276 N 2.38 0.00 -3.77 3.23 0.63 0.12 -4.32 116.66 114.93 3ivr n ARG 276 Ca 0.11 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.90 3ivr n ARG 276 Cb 0.34 -0.90 -0.15 0.00 0.45 0.00 0.00 32.46 32.20 3ivr n ARG 276 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ivr s ALA 277 N -1.96 -0.08 0.02 5.13 0.00 -0.93 -1.41 121.76 122.54 3ivr s ALA 277 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.43 3ivr s ALA 277 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3ivr s ALA 277 CO 0.00 -0.12 -0.10 0.08 0.00 0.00 0.00 175.76 175.62 3ivr s VAL 278 N 0.99 0.78 0.26 0.00 1.01 -0.66 -2.23 120.40 120.55 3ivr s VAL 278 Ca -0.08 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3ivr s VAL 278 Cb -0.11 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3ivr s VAL 278 CO -0.04 -0.04 0.31 0.28 0.00 0.00 0.00 175.10 175.61 3ivr s THR 279 N -0.76 0.00 -4.17 3.92 -1.32 -0.85 0.32 115.64 112.78 3ivr s THR 279 Ca -0.01 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 58.70 3ivr s THR 279 Cb -0.07 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 3ivr s THR 279 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 3ivr n GLY 280 N -0.41 0.73 3.32 6.08 0.00 -1.26 -1.70 105.19 111.96 3ivr n GLY 280 Ca 0.02 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 3ivr n GLY 280 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ivr s LEU 281 N 0.00 3.25 0.15 0.99 1.43 -1.08 -4.61 118.68 118.81 3ivr s LEU 281 Ca 0.00 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 3ivr s LEU 281 Cb 0.00 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3ivr s LEU 281 CO 0.00 -0.08 0.43 -0.62 0.23 0.00 0.00 176.35 176.31 3ivr s ASP 282 N 1.48 -0.22 0.42 2.29 -1.08 -1.26 -1.31 116.67 116.99 3ivr s ASP 282 Ca 0.04 -0.41 -0.23 0.00 -0.52 0.00 0.00 52.55 51.44 3ivr s ASP 282 Cb -0.15 0.50 -0.09 0.00 -1.46 0.00 0.00 42.92 41.72 3ivr s ASP 282 CO -0.01 -0.92 1.04 0.42 0.52 0.00 0.00 175.17 176.23 3ivr s THR 283 N -3.84 3.75 0.32 1.71 -4.23 -1.26 -4.92 115.64 107.18 3ivr s THR 283 Ca 0.06 1.28 0.11 0.00 -1.18 0.00 0.00 61.69 61.96 3ivr s THR 283 Cb 0.01 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.54 3ivr s THR 283 CO -0.08 -0.05 1.68 -0.65 -0.54 0.00 0.00 174.62 174.98 3ivr h PRO 284 N 2.29 0.39 0.35 3.99 0.11 -2.02 -1.57 132.00 135.54 3ivr h PRO 284 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ivr h PRO 284 Cb 1.22 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3ivr h PRO 284 CO 0.62 0.26 -0.33 1.49 -0.21 0.00 0.00 178.00 179.82 3ivr h GLU 285 N 0.40 -0.68 -0.75 1.05 4.81 -1.99 -0.43 114.58 117.00 3ivr h GLU 285 Ca 0.67 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.89 3ivr h GLU 285 Cb 1.42 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 3ivr h GLU 285 CO -0.56 -0.45 0.25 1.15 -0.73 0.00 0.00 179.01 178.66 3ivr h THR 286 N -0.70 1.26 -0.38 0.32 2.02 -1.86 -0.12 112.91 113.44 3ivr h THR 286 Ca -0.02 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 3ivr h THR 286 Cb 0.63 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3ivr h THR 286 CO -0.05 0.35 0.18 0.40 0.37 0.00 0.00 175.52 176.78 3ivr h ILE 287 N 1.11 1.16 -0.49 3.11 2.04 -1.22 0.14 117.51 123.36 3ivr h ILE 287 Ca 0.24 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 3ivr h ILE 287 Cb 0.29 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3ivr h ILE 287 CO -0.01 0.17 -0.17 -0.33 0.00 0.00 0.00 178.15 177.81 3ivr h GLU 288 N 0.47 0.97 -0.11 2.37 5.08 -0.87 -1.02 114.58 121.47 3ivr h GLU 288 Ca 0.13 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3ivr h GLU 288 Cb 0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3ivr h GLU 288 CO -0.02 1.07 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.88 3ivr h ARG 289 N 0.83 -0.11 -0.53 2.33 2.43 -0.88 -0.93 114.38 117.51 3ivr h ARG 289 Ca 0.12 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3ivr h ARG 289 Cb 0.74 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 3ivr h ARG 289 CO 0.06 -0.07 0.25 0.35 -1.51 0.00 0.00 179.97 179.04 3ivr h PHE 290 N -0.11 0.45 -0.04 2.20 3.57 -0.47 0.10 116.94 122.64 3ivr h PHE 290 Ca 0.08 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 3ivr h PHE 290 Cb 0.22 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3ivr h PHE 290 CO -0.21 0.20 -0.48 0.93 -2.23 0.00 0.00 178.31 176.52 3ivr h GLU 291 N 0.48 0.09 0.02 1.11 5.08 -1.05 -0.02 114.58 120.28 3ivr h GLU 291 Ca 0.25 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3ivr h GLU 291 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ivr h GLU 291 CO -0.20 0.55 -0.01 0.00 -1.00 0.00 0.00 179.01 178.35 3ivr h ALA 292 N 1.45 -0.03 -0.75 3.43 0.00 -0.59 -3.23 119.26 119.54 3ivr h ALA 292 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ivr h ALA 292 Cb 0.87 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3ivr h ALA 292 CO 0.07 -0.43 0.45 1.15 0.00 0.00 0.00 179.25 180.48 3ivr h THR 293 N -0.20 1.21 -3.32 0.00 2.02 -0.75 -3.37 112.91 108.50 3ivr h THR 293 Ca -0.00 -0.47 -0.64 0.00 0.77 0.00 0.00 66.41 66.07 3ivr h THR 293 Cb 0.19 0.18 -0.41 0.00 -1.74 0.00 0.00 68.15 66.37 3ivr h THR 293 CO 0.00 0.22 -0.63 0.00 0.37 0.00 0.00 175.52 175.49 3ivr h PRO 295 N 6.33 0.00 -0.24 0.00 0.13 -1.73 -2.23 132.00 134.26 3ivr h PRO 295 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3ivr h PRO 295 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ivr h PRO 295 CO 0.69 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 3ivr n ASN 296 N -3.26 2.28 -4.68 1.44 5.03 -1.26 -4.93 115.26 109.88 3ivr n ASN 296 Ca -0.01 -1.82 -0.26 0.00 0.87 0.00 0.00 54.58 53.37 3ivr n ASN 296 Cb 0.23 -0.15 -0.07 0.00 -1.02 0.00 0.00 39.78 38.77 3ivr n ASN 296 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ivr s ALA 297 N -1.70 3.24 -0.09 5.41 0.00 -0.84 -4.70 121.76 123.09 3ivr s ALA 297 Ca 0.34 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3ivr s ALA 297 Cb 0.19 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3ivr s ALA 297 CO 0.28 0.43 -0.13 0.99 0.00 0.00 0.00 175.76 177.33 3ivr s THR 298 N -1.85 1.29 0.05 0.00 2.01 -0.50 -4.89 115.64 111.75 3ivr s THR 298 Ca 0.29 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.50 3ivr s THR 298 Cb -0.09 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 3ivr s THR 298 CO 0.19 0.40 0.79 0.12 -0.69 0.00 0.00 174.62 175.43 3ivr s PHE 299 N 0.92 3.74 -0.26 4.92 5.36 -1.26 -1.66 117.98 129.74 3ivr s PHE 299 Ca -0.09 1.51 -0.06 0.00 -0.96 0.00 0.00 56.93 57.33 3ivr s PHE 299 Cb -0.15 -2.86 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 3ivr s PHE 299 CO 0.00 0.25 0.04 -1.58 -1.46 0.00 0.00 175.22 172.47 3ivr s TRP 300 N 0.01 3.07 0.35 10.12 0.52 0.15 -0.55 118.94 132.61 3ivr s TRP 300 Ca 0.40 -0.80 -0.27 0.00 0.02 0.00 0.00 56.10 55.45 3ivr s TRP 300 Cb -0.21 -2.20 -0.09 0.00 -1.15 0.00 0.00 33.47 29.82 3ivr s TRP 300 CO 0.24 -0.50 1.23 0.00 0.02 0.00 0.00 176.95 177.94 3ivr s ALA 301 N 1.53 3.35 -0.01 0.98 0.00 0.22 -4.05 121.76 123.78 3ivr s ALA 301 Ca 0.05 1.11 -0.21 0.00 0.00 0.00 0.00 51.96 52.91 3ivr s ALA 301 Cb -0.16 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.58 3ivr s ALA 301 CO 0.01 -0.55 0.46 -0.08 0.00 0.00 0.00 175.76 175.59 3ivr s THR 302 N -1.24 0.04 -0.00 0.00 -1.32 -1.18 -1.93 115.64 110.01 3ivr s THR 302 Ca 0.52 -0.30 0.03 0.00 -1.21 0.00 0.00 61.69 60.72 3ivr s THR 302 Cb -0.36 -0.81 -0.01 0.00 -1.51 0.00 0.00 72.50 69.82 3ivr s THR 302 CO 0.46 -0.17 -0.10 0.12 -2.21 0.00 0.00 174.62 172.72 3ivr s PHE 303 N -1.50 0.92 0.02 9.09 5.36 -0.98 -4.78 117.98 126.11 3ivr s PHE 303 Ca -0.11 -0.19 -0.27 0.00 -0.96 0.00 0.00 56.93 55.39 3ivr s PHE 303 Cb -0.03 -0.59 0.09 0.00 -0.34 0.00 0.00 43.02 42.16 3ivr s PHE 303 CO 0.05 -0.01 1.24 0.20 -1.46 0.00 0.00 175.22 175.24 3ivr s GLY 304 N -0.34 -0.08 0.33 13.12 0.00 -1.26 -0.38 107.32 118.69 3ivr s GLY 304 Ca 0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.58 3ivr s GLY 304 CO -0.00 5.08 0.66 -0.86 0.00 0.00 0.00 173.10 177.98 3ivr s GLN 305 N -2.05 1.94 0.24 2.90 -2.07 -1.12 -4.94 119.66 114.56 3ivr s GLN 305 Ca 0.28 -1.34 -0.06 0.00 -1.82 0.00 0.00 55.36 52.42 3ivr s GLN 305 Cb -0.01 0.56 0.22 0.00 -1.09 0.00 0.00 33.01 32.70 3ivr s GLN 305 CO 0.00 -0.87 1.85 0.77 -1.32 0.00 0.00 175.29 175.72 3ivr h SER 306 N 2.07 1.11 0.32 12.60 0.02 -1.95 -0.62 113.55 127.10 3ivr h SER 306 Ca -0.27 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3ivr h SER 306 Cb 1.25 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3ivr h SER 306 CO 0.35 0.90 0.00 -0.33 -1.14 0.00 0.00 176.83 176.61 3ivr h GLU 307 N 1.23 0.00 -0.34 3.45 3.07 -1.93 0.03 114.58 120.10 3ivr h GLU 307 Ca 0.31 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.12 3ivr h GLU 307 Cb 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 3ivr h GLU 307 CO -0.05 0.00 0.02 0.25 -1.40 0.00 0.00 179.01 177.83 3ivr n THR 308 N -2.63 2.42 -2.75 1.13 -2.24 -0.80 -0.95 114.28 108.46 3ivr n THR 308 Ca -0.01 -1.95 -0.19 0.00 -2.27 0.00 0.00 64.05 59.63 3ivr n THR 308 Cb 0.13 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.09 3ivr n THR 308 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3ivr n SER 309 N -0.50 -5.08 0.00 3.42 7.64 -0.00 -4.49 113.62 114.61 3ivr n SER 309 Ca 0.25 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3ivr n SER 309 Cb 0.98 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 3ivr n SER 309 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ivr n GLY 310 N -1.13 1.05 3.69 0.23 0.00 -0.30 -4.83 105.19 103.89 3ivr n GLY 310 Ca -0.14 -1.59 -0.45 0.00 0.00 0.00 0.00 46.02 43.84 3ivr n GLY 310 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3ivr n LEU 311 N 0.00 3.41 -0.06 0.99 -0.00 -1.26 -2.81 117.00 117.27 3ivr n LEU 311 Ca 0.00 1.08 -0.12 0.00 -0.00 0.00 0.00 56.01 56.97 3ivr n LEU 311 Cb 0.00 -1.48 -0.05 0.00 -0.00 0.00 0.00 43.42 41.89 3ivr n LEU 311 CO 0.00 -0.12 -0.91 -1.20 -0.00 0.00 0.00 177.39 175.16 3ivr n SER 312 N 3.61 1.46 -4.51 1.45 7.64 0.49 -4.95 113.62 118.81 3ivr n SER 312 Ca 0.17 0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.85 3ivr n SER 312 Cb 0.31 -0.31 -0.11 0.00 -1.01 0.00 0.00 64.21 63.08 3ivr n SER 312 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ivr s THR 313 N -2.23 2.94 -0.28 0.44 -4.23 -1.01 -1.26 115.64 110.01 3ivr s THR 313 Ca -0.17 -1.45 -0.21 0.00 -1.18 0.00 0.00 61.69 58.68 3ivr s THR 313 Cb 0.06 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.65 3ivr s THR 313 CO 0.23 0.11 0.84 0.12 -0.54 0.00 0.00 174.62 175.38 3ivr s PHE 314 N -1.15 -0.73 -0.11 3.99 5.99 0.10 -2.31 117.98 123.76 3ivr s PHE 314 Ca 0.18 1.63 -0.30 0.00 0.00 0.00 0.00 56.93 58.44 3ivr s PHE 314 Cb -0.11 0.40 0.12 0.00 0.00 0.00 0.00 43.02 43.43 3ivr s PHE 314 CO 0.11 -0.36 1.00 0.00 -0.00 0.00 0.00 175.22 175.97 3ivr s ALA 315 N 0.79 -1.92 0.17 11.12 0.00 -0.81 -2.55 121.76 128.56 3ivr s ALA 315 Ca -0.03 1.38 -0.34 0.00 0.00 0.00 0.00 51.96 52.97 3ivr s ALA 315 Cb -0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 23.12 22.73 3ivr s ALA 315 CO -0.09 -0.50 1.53 -2.30 0.00 0.00 0.00 175.76 174.41 3ivr n PRO 316 N 0.22 2.07 -0.34 0.00 -0.02 -1.26 -0.61 135.00 135.06 3ivr n PRO 316 Ca -0.08 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3ivr n PRO 316 Cb 0.59 -2.49 0.31 0.00 -0.02 0.00 0.00 33.50 31.90 3ivr n PRO 316 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ivr h TYR 317 N 5.52 0.97 0.00 6.00 3.20 -1.15 -2.20 116.97 129.32 3ivr h TYR 317 Ca -0.45 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 3ivr h TYR 317 Cb 1.26 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 3ivr h TYR 317 CO 0.61 0.18 -0.09 0.07 -1.64 0.00 0.00 178.16 177.29 3ivr h ARG 318 N 0.68 0.00 0.00 1.82 0.11 -1.89 -1.46 114.38 113.64 3ivr h ARG 318 Ca 0.57 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.56 3ivr h ARG 318 Cb 0.92 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.99 3ivr h ARG 318 CO -0.41 0.09 -0.41 -0.44 0.10 0.00 0.00 179.97 178.91 3ivr h ASP 319 N 0.00 0.00 -0.89 0.08 3.45 -1.76 -3.39 116.42 113.91 3ivr h ASP 319 Ca -0.00 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.37 3ivr h ASP 319 Cb 0.31 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 38.91 3ivr h ASP 319 CO 0.01 0.41 -0.42 -0.60 -1.57 0.00 0.00 179.24 177.07 3ivr s ARG 320 N -4.07 0.87 0.38 3.56 6.06 -0.91 -5.11 118.95 119.72 3ivr s ARG 320 Ca -0.02 -0.67 -0.26 0.00 -2.50 0.00 0.00 55.73 52.28 3ivr s ARG 320 Cb 0.14 0.01 -0.12 0.00 0.06 0.00 0.00 34.95 35.04 3ivr s ARG 320 CO 0.73 -1.13 1.07 -2.30 -2.50 0.00 0.00 175.30 171.17 3ivr n PRO 321 N 3.45 1.52 -0.29 5.12 -0.02 -0.60 -2.14 135.00 142.04 3ivr n PRO 321 Ca 0.14 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3ivr n PRO 321 Cb 0.58 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3ivr n PRO 321 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ivr n LYS 322 N 0.35 0.00 -1.80 -0.52 5.02 -1.26 -5.01 118.16 114.94 3ivr n LYS 322 Ca 0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.08 3ivr n LYS 322 Cb 0.37 -3.17 0.17 0.00 -0.02 0.00 0.00 35.03 32.38 3ivr n LYS 322 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ivr s SER 323 N -2.72 3.22 0.00 4.39 1.04 -0.91 -4.72 113.70 114.00 3ivr s SER 323 Ca 0.00 0.48 0.17 0.00 0.48 0.00 0.00 55.95 57.08 3ivr s SER 323 Cb 0.00 -0.68 0.46 0.00 0.10 0.00 0.00 66.02 65.90 3ivr s SER 323 CO 0.00 -2.68 1.38 0.00 0.98 0.00 0.00 173.24 172.91 3ivr n ALA 324 N -3.77 2.30 0.00 5.32 0.00 0.17 -4.57 120.51 119.95 3ivr n ALA 324 Ca 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3ivr n ALA 324 Cb 0.60 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3ivr n ALA 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivr n GLY 325 N 1.12 -1.97 3.86 0.00 0.00 -1.25 -3.08 105.19 103.87 3ivr n GLY 325 Ca 0.18 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3ivr n GLY 325 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ivr s ARG 326 N -0.04 3.31 0.15 1.61 0.52 -1.06 -1.17 118.95 122.26 3ivr s ARG 326 Ca 0.00 -0.36 -0.34 0.00 -0.52 0.00 0.00 55.73 54.51 3ivr s ARG 326 Cb 0.00 -3.02 -0.16 0.00 0.52 0.00 0.00 34.95 32.29 3ivr s ARG 326 CO 0.00 0.68 1.30 -2.30 0.02 0.00 0.00 175.30 174.99 3ivr n PRO 327 N 1.13 1.38 -1.60 3.54 -0.02 -1.26 -0.73 135.00 137.44 3ivr n PRO 327 Ca -0.12 0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 3ivr n PRO 327 Cb 0.53 -2.09 0.05 0.00 -0.02 0.00 0.00 33.50 31.97 3ivr n PRO 327 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ivr s LEU 328 N 0.55 3.15 0.61 2.45 1.43 -0.39 -4.85 118.68 121.63 3ivr s LEU 328 Ca 0.77 1.61 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 3ivr s LEU 328 Cb -0.84 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 40.83 3ivr s LEU 328 CO 0.49 -1.40 0.83 0.33 0.23 0.00 0.00 176.35 176.82 3ivr n PHE 329 N -3.07 0.32 -0.37 0.29 7.35 -1.26 -2.29 117.46 118.43 3ivr n PHE 329 Ca 0.07 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 3ivr n PHE 329 Cb 0.54 -2.07 0.00 0.00 0.35 0.00 0.00 39.48 38.29 3ivr n PHE 329 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 3ivr n TRP 330 N -1.85 0.00 -4.58 -5.13 7.02 -1.26 -4.96 117.44 106.68 3ivr n TRP 330 Ca 0.13 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.29 3ivr n TRP 330 Cb 0.48 -0.02 -0.16 0.00 -2.42 0.00 0.00 31.31 29.18 3ivr n TRP 330 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3ivr s ARG 331 N -0.01 2.97 -0.22 -0.99 3.00 -0.97 -4.00 118.95 118.74 3ivr s ARG 331 Ca 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 55.73 54.83 3ivr s ARG 331 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 34.95 32.50 3ivr s ARG 331 CO 0.00 -0.04 0.04 0.95 0.00 0.00 0.00 175.30 176.24 3ivr s THR 332 N 0.89 4.17 -0.08 0.02 -4.23 -0.72 -4.68 115.64 111.01 3ivr s THR 332 Ca -0.05 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 3ivr s THR 332 Cb -0.15 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 3ivr s THR 332 CO -0.03 0.39 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.57 3ivr s VAL 333 N 1.22 2.74 0.24 2.29 1.01 -1.26 -1.10 120.40 125.53 3ivr s VAL 333 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3ivr s VAL 333 Cb -0.14 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3ivr s VAL 333 CO 0.02 0.56 0.09 0.00 0.00 0.00 0.00 175.10 175.77 3ivr s ALA 334 N -0.21 1.64 -0.11 5.51 0.00 -0.81 -4.99 121.76 122.78 3ivr s ALA 334 Ca -0.00 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.16 3ivr s ALA 334 Cb -0.13 1.01 0.01 0.00 0.00 0.00 0.00 23.12 24.01 3ivr s ALA 334 CO 0.03 -0.45 -0.20 0.08 0.00 0.00 0.00 175.76 175.22 3ivr s VAL 335 N -3.77 1.80 0.19 0.00 1.01 -1.26 -1.06 120.40 117.31 3ivr s VAL 335 Ca 0.36 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3ivr s VAL 335 Cb 0.08 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3ivr s VAL 335 CO 0.12 0.50 -0.16 0.68 0.00 0.00 0.00 175.10 176.24 3ivr s VAL 336 N 0.72 1.80 0.42 2.92 -7.23 -0.43 -0.83 120.40 117.76 3ivr s VAL 336 Ca -0.11 -2.11 -0.07 0.00 -1.81 0.00 0.00 61.98 57.88 3ivr s VAL 336 Cb -0.16 -1.97 0.10 0.00 0.56 0.00 0.00 36.38 34.90 3ivr s VAL 336 CO 0.02 -0.48 0.54 -0.90 -0.31 0.00 0.00 175.10 173.97 3ivr n ASP 337 N -0.14 -0.10 0.30 4.85 5.68 -0.22 -0.97 116.55 125.96 3ivr n ASP 337 Ca -0.10 -1.16 0.18 0.00 -0.50 0.00 0.00 54.79 53.21 3ivr n ASP 337 Cb 0.59 -0.42 0.93 0.00 -1.14 0.00 0.00 41.12 41.07 3ivr n ASP 337 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ivr h ALA 338 N -1.95 1.11 -0.62 2.12 0.00 -1.99 -1.65 119.26 116.27 3ivr h ALA 338 Ca -0.18 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.33 3ivr h ALA 338 Cb 0.50 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.06 3ivr h ALA 338 CO 0.12 0.04 0.08 0.39 0.00 0.00 0.00 179.25 179.88 3ivr n GLU 339 N -3.28 2.31 -2.21 0.00 4.71 -1.26 -4.97 120.64 115.94 3ivr n GLU 339 Ca -0.02 -3.33 -0.19 0.00 -0.01 0.00 0.00 57.16 53.61 3ivr n GLU 339 Cb 0.18 -2.02 -0.03 0.00 -1.01 0.00 0.00 31.44 28.56 3ivr n GLU 339 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ivr n ASP 340 N -1.04 -5.49 -4.72 1.62 8.00 -0.62 -4.99 116.55 109.32 3ivr n ASP 340 Ca 0.44 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.69 3ivr n ASP 340 Cb 1.08 -4.65 -0.06 0.00 -0.02 0.00 0.00 41.12 37.47 3ivr n ASP 340 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ivr s ARG 341 N -4.71 4.37 0.21 -1.24 0.52 -1.26 -4.85 118.95 111.98 3ivr s ARG 341 Ca 0.00 0.58 -0.31 0.00 -0.52 0.00 0.00 55.73 55.48 3ivr s ARG 341 Cb 0.00 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 31.93 3ivr s ARG 341 CO 0.00 0.12 1.51 -2.14 0.02 0.00 0.00 175.30 174.81 3ivr s PRO 342 N 0.70 4.23 0.37 3.54 0.02 -1.26 -1.05 135.00 141.54 3ivr s PRO 342 Ca 0.29 2.34 -0.07 0.00 0.02 0.00 0.00 61.00 63.59 3ivr s PRO 342 Cb -0.16 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 3ivr s PRO 342 CO 0.13 -0.53 0.68 -0.51 -0.33 0.00 0.00 177.00 176.44 3ivr s LEU 343 N 0.39 3.90 0.78 -5.54 1.43 -0.01 -4.90 118.68 114.73 3ivr s LEU 343 Ca 0.65 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 3ivr s LEU 343 Cb -0.43 -3.77 0.06 0.00 0.03 0.00 0.00 46.19 42.08 3ivr s LEU 343 CO 0.37 -0.34 1.09 -2.84 0.23 0.00 0.00 176.35 174.86 3ivr s PRO 344 N -3.88 2.23 0.11 1.29 0.02 -1.26 -4.84 135.00 128.66 3ivr s PRO 344 Ca 0.47 1.05 -0.36 0.00 0.02 0.00 0.00 61.00 62.18 3ivr s PRO 344 Cb -0.10 -1.90 -0.17 0.00 0.02 0.00 0.00 34.50 32.35 3ivr s PRO 344 CO 0.33 -1.63 1.21 -2.30 -0.33 0.00 0.00 177.00 174.28 3ivr n PRO 345 N -3.50 0.95 0.00 5.54 -0.02 -1.26 -2.48 135.00 134.22 3ivr n PRO 345 Ca 0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3ivr n PRO 345 Cb 0.54 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3ivr n PRO 345 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ivr n GLY 346 N 2.18 2.65 3.74 -1.23 0.00 0.10 -4.97 105.19 107.66 3ivr n GLY 346 Ca 0.17 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3ivr n GLY 346 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ivr s GLU 347 N 0.00 4.68 0.12 1.61 2.02 -1.04 -4.83 118.70 121.27 3ivr s GLU 347 Ca 0.00 1.39 -0.30 0.00 0.02 0.00 0.00 54.97 56.08 3ivr s GLU 347 Cb 0.00 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.81 3ivr s GLU 347 CO 0.00 0.27 1.07 0.08 0.02 0.00 0.00 175.26 176.70 3ivr s VAL 348 N -0.20 4.18 0.03 2.63 1.01 -1.26 -4.47 120.40 122.32 3ivr s VAL 348 Ca 0.45 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 64.17 3ivr s VAL 348 Cb -0.23 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.03 3ivr s VAL 348 CO 0.29 0.25 0.07 0.61 0.00 0.00 0.00 175.10 176.31 3ivr n GLY 349 N 2.40 1.96 3.72 4.51 0.00 -0.58 -4.92 105.19 112.29 3ivr n GLY 349 Ca 0.04 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 3ivr n GLY 349 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ivr s GLU 350 N -2.01 4.54 -0.02 1.61 2.12 -0.14 -1.28 118.70 123.51 3ivr s GLU 350 Ca 0.01 1.21 -0.30 0.00 0.36 0.00 0.00 54.97 56.25 3ivr s GLU 350 Cb -0.00 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 3ivr s GLU 350 CO 0.01 0.11 1.41 0.42 -0.54 0.00 0.00 175.26 176.67 3ivr s ILE 351 N 0.49 3.77 0.14 -3.70 1.01 0.09 -1.32 121.20 121.68 3ivr s ILE 351 Ca 0.44 1.11 0.08 0.00 0.00 0.00 0.00 60.65 62.28 3ivr s ILE 351 Cb -0.21 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3ivr s ILE 351 CO 0.25 -0.02 -0.19 0.68 0.00 0.00 0.00 174.94 175.66 3ivr s VAL 352 N 2.67 1.71 0.03 2.92 -7.23 -0.22 -2.03 120.40 118.25 3ivr s VAL 352 Ca 0.64 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 3ivr s VAL 352 Cb -0.30 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 3ivr s VAL 352 CO 0.25 -0.24 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.51 3ivr s LEU 353 N -2.37 2.20 0.10 1.32 2.96 0.25 -1.92 118.68 121.23 3ivr s LEU 353 Ca 0.11 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3ivr s LEU 353 Cb -0.07 -0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 3ivr s LEU 353 CO 0.05 -0.14 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.69 3ivr s ARG 354 N -1.25 0.91 0.00 1.98 0.52 -0.26 -0.39 118.95 120.46 3ivr s ARG 354 Ca -0.07 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 3ivr s ARG 354 Cb -0.08 -0.75 0.00 0.00 0.52 0.00 0.00 34.95 34.64 3ivr s ARG 354 CO 0.00 0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.87 3ivr n GLY 355 N 0.71 0.81 0.00 -3.53 0.00 -1.26 -1.76 105.19 100.17 3ivr n GLY 355 Ca -0.17 -2.26 0.10 0.00 0.00 0.00 0.00 46.02 43.70 3ivr n GLY 355 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ivr n PRO 356 N -0.98 0.84 0.01 1.61 -0.04 -1.26 -2.48 135.00 132.70 3ivr n PRO 356 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3ivr n PRO 356 Cb 0.00 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.14 3ivr n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ivr n THR 357 N -0.88 0.07 -1.86 0.52 -2.24 -1.26 -4.27 114.28 104.36 3ivr n THR 357 Ca 0.15 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3ivr n THR 357 Cb 0.07 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3ivr n THR 357 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ivr s VAL 358 N -3.09 2.43 1.14 2.28 1.01 -1.04 -3.08 120.40 120.06 3ivr s VAL 358 Ca 0.07 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 3ivr s VAL 358 Cb 0.16 -3.18 0.26 0.00 0.00 0.00 0.00 36.38 33.62 3ivr s VAL 358 CO 0.79 0.02 1.04 0.72 0.00 0.00 0.00 175.10 177.67 3ivr s PHE 359 N 1.28 1.43 0.22 5.22 -0.00 -0.12 -4.97 117.98 121.04 3ivr s PHE 359 Ca 0.72 1.01 0.12 0.00 -0.00 0.00 0.00 56.93 58.78 3ivr s PHE 359 Cb -0.46 -3.16 0.37 0.00 -0.00 0.00 0.00 43.02 39.78 3ivr s PHE 359 CO 0.32 -3.67 1.60 0.87 -0.00 0.00 0.00 175.22 174.34 3ivr h LYS 360 N -2.47 0.00 0.00 1.99 1.57 -1.46 -3.50 116.57 112.71 3ivr h LYS 360 Ca -0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 3ivr h LYS 360 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 3ivr h LYS 360 CO 0.51 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 180.39 3ivr n GLY 361 N 0.38 1.31 3.66 3.86 0.00 -1.24 -5.02 105.19 108.15 3ivr n GLY 361 Ca -0.01 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 3ivr n GLY 361 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ivr s TYR 362 N -1.13 3.38 0.14 1.61 2.02 -1.26 -1.54 117.35 120.56 3ivr s TYR 362 Ca 0.00 0.85 -0.35 0.00 -0.37 0.00 0.00 57.07 57.20 3ivr s TYR 362 Cb 0.00 -2.73 -0.15 0.00 -0.40 0.00 0.00 41.96 38.68 3ivr s TYR 362 CO 0.00 -0.13 1.50 1.87 -1.57 0.00 0.00 175.55 177.22 3ivr n TRP 363 N 4.88 2.04 -1.91 2.71 -0.00 0.12 -2.51 117.44 122.77 3ivr n TRP 363 Ca -0.03 0.39 -0.20 0.00 -0.00 0.00 0.00 57.50 57.65 3ivr n TRP 363 Cb 0.50 -2.48 -0.06 0.00 -0.00 0.00 0.00 31.31 29.28 3ivr n TRP 363 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3ivr n ASN 364 N 3.12 -5.43 -3.16 5.87 3.02 -1.26 -4.49 115.26 112.92 3ivr n ASN 364 Ca 0.17 0.30 -0.20 0.00 -0.03 0.00 0.00 54.58 54.82 3ivr n ASN 364 Cb 0.26 -4.70 -0.06 0.00 -0.61 0.00 0.00 39.78 34.67 3ivr n ASN 364 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ivr n ASN 365 N -1.56 -1.06 -0.26 6.41 2.85 -1.04 -4.98 115.26 115.62 3ivr n ASN 365 Ca -0.21 -2.65 0.06 0.00 -0.11 0.00 0.00 54.58 51.66 3ivr n ASN 365 Cb 0.67 0.06 0.29 0.00 1.24 0.00 0.00 39.78 42.04 3ivr n ASN 365 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ivr h ALA 366 N 4.90 1.61 0.20 5.20 0.00 -1.92 -2.38 119.26 126.88 3ivr h ALA 366 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ivr h ALA 366 Cb 0.95 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ivr h ALA 366 CO 0.33 0.25 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 3ivr h ALA 367 N 1.55 -0.27 -0.99 0.00 0.00 -1.96 -1.22 119.26 116.37 3ivr h ALA 367 Ca 0.37 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3ivr h ALA 367 Cb 0.27 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3ivr h ALA 367 CO -0.14 -0.59 0.64 0.00 0.00 0.00 0.00 179.25 179.17 3ivr h ALA 368 N 0.36 1.27 -0.38 0.00 0.00 -1.92 -1.54 119.26 117.04 3ivr h ALA 368 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ivr h ALA 368 Cb 0.31 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ivr h ALA 368 CO 0.05 0.67 0.12 1.15 0.00 0.00 0.00 179.25 181.23 3ivr h THR 369 N 1.35 1.21 -0.70 0.00 2.02 -1.36 -0.59 112.91 114.84 3ivr h THR 369 Ca 0.36 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 3ivr h THR 369 Cb -0.14 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3ivr h THR 369 CO -0.08 0.24 0.23 -0.61 0.37 0.00 0.00 175.52 175.67 3ivr h GLN 370 N 0.47 1.07 -0.23 6.66 4.15 -1.01 -0.53 115.11 125.68 3ivr h GLN 370 Ca 0.12 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 3ivr h GLN 370 Cb 0.25 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3ivr h GLN 370 CO -0.00 0.91 0.05 1.25 -1.93 0.00 0.00 178.83 179.11 3ivr h HIS 371 N 1.03 0.39 -0.38 3.99 2.76 -1.19 -2.71 115.15 119.04 3ivr h HIS 371 Ca 0.23 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3ivr h HIS 371 Cb 0.28 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 3ivr h HIS 371 CO 0.02 0.47 0.19 0.00 -1.30 0.00 0.00 177.93 177.31 3ivr h ALA 372 N 0.87 1.62 -0.55 5.26 0.00 -0.72 -3.01 119.26 122.74 3ivr h ALA 372 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ivr h ALA 372 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ivr h ALA 372 CO 0.00 0.31 0.00 1.19 0.00 0.00 0.00 179.25 180.75 3ivr n PHE 373 N -4.42 1.03 -1.75 0.00 3.72 -0.24 -0.15 117.46 115.64 3ivr n PHE 373 Ca 0.02 -0.58 -0.41 0.00 -0.05 0.00 0.00 57.45 56.43 3ivr n PHE 373 Cb 0.11 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 3ivr n PHE 373 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3ivr n ARG 374 N 0.93 2.38 -2.03 -1.08 1.85 -1.03 -2.14 116.66 115.53 3ivr n ARG 374 Ca 0.21 0.84 -0.17 0.00 -1.00 0.00 0.00 57.85 57.73 3ivr n ARG 374 Cb 0.70 -2.54 -0.03 0.00 -1.05 0.00 0.00 32.46 29.53 3ivr n ARG 374 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3ivr n ASN 375 N 0.39 -4.68 -0.76 2.89 3.02 -1.26 -2.90 115.26 111.95 3ivr n ASN 375 Ca 0.03 0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.72 3ivr n ASN 375 Cb 0.39 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.48 3ivr n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ivr n GLY 376 N -0.66 0.79 3.23 7.41 0.00 -0.91 -5.02 105.19 110.03 3ivr n GLY 376 Ca -0.18 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 3ivr n GLY 376 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ivr s TRP 377 N -2.36 1.92 0.06 1.61 0.52 -1.14 -4.91 118.94 114.63 3ivr s TRP 377 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 56.10 55.44 3ivr s TRP 377 Cb 0.00 -1.24 -0.05 0.00 -1.15 0.00 0.00 33.47 31.03 3ivr s TRP 377 CO 0.00 -0.04 1.11 -1.58 0.02 0.00 0.00 176.95 176.46 3ivr s HIS 378 N -0.48 3.54 -0.21 -1.98 5.65 0.48 -3.81 115.29 118.47 3ivr s HIS 378 Ca 0.08 1.48 -0.07 0.00 0.25 0.00 0.00 55.06 56.79 3ivr s HIS 378 Cb -0.08 -3.30 -0.03 0.00 -1.18 0.00 0.00 32.58 27.98 3ivr s HIS 378 CO -0.01 -0.75 0.06 -1.01 -0.65 0.00 0.00 174.74 172.38 3ivr s HIS 379 N 0.85 3.15 -0.46 3.88 3.76 0.78 -0.58 115.29 126.67 3ivr s HIS 379 Ca 0.55 -0.17 0.23 0.00 -0.15 0.00 0.00 55.06 55.52 3ivr s HIS 379 Cb -0.27 -2.14 0.37 0.00 1.11 0.00 0.00 32.58 31.65 3ivr s HIS 379 CO 0.30 -0.09 1.59 1.79 -0.85 0.00 0.00 174.74 177.47 3ivr h THR 380 N 5.21 0.00 0.00 1.30 1.35 -1.74 -3.46 112.91 115.56 3ivr h THR 380 Ca -0.36 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3ivr h THR 380 Cb 1.18 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3ivr h THR 380 CO 0.63 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 3ivr n GLY 381 N 1.13 0.73 3.49 5.82 0.00 -1.26 -5.03 105.19 110.07 3ivr n GLY 381 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3ivr n GLY 381 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ivr s ASP 382 N -2.48 3.94 0.13 1.61 1.01 -1.26 -1.61 116.67 118.00 3ivr s ASP 382 Ca 0.00 -0.49 0.03 0.00 0.71 0.00 0.00 52.55 52.80 3ivr s ASP 382 Cb 0.00 -0.61 -0.04 0.00 1.01 0.00 0.00 42.92 43.28 3ivr s ASP 382 CO 0.00 0.20 0.18 -0.04 0.21 0.00 0.00 175.17 175.72 3ivr s MET 383 N -1.94 3.14 -0.03 8.23 -1.94 0.12 -0.73 119.30 126.14 3ivr s MET 383 Ca 0.17 -0.69 -0.30 0.00 -1.71 0.00 0.00 55.69 53.16 3ivr s MET 383 Cb -0.11 -2.81 0.11 0.00 2.01 0.00 0.00 34.83 34.03 3ivr s MET 383 CO 0.09 0.53 1.32 0.20 -0.01 0.00 0.00 175.02 177.15 3ivr s GLY 384 N -2.93 -0.30 0.03 -0.03 0.00 -0.41 -0.63 107.32 103.06 3ivr s GLY 384 Ca 0.32 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 3ivr s GLY 384 CO 0.25 2.83 0.05 1.09 0.00 0.00 0.00 173.10 177.33 3ivr s ARG 385 N -2.16 0.49 0.07 2.90 1.70 -0.70 -1.52 118.95 119.72 3ivr s ARG 385 Ca 0.22 -0.72 0.01 0.00 -0.47 0.00 0.00 55.73 54.77 3ivr s ARG 385 Cb 0.03 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 3ivr s ARG 385 CO -0.03 -0.11 0.20 -0.06 -1.08 0.00 0.00 175.30 174.22 3ivr s PHE 386 N -2.25 3.47 0.65 5.89 0.40 -1.26 -0.38 117.98 124.50 3ivr s PHE 386 Ca -0.08 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.50 3ivr s PHE 386 Cb -0.04 -1.74 0.12 0.00 0.51 0.00 0.00 43.02 41.88 3ivr s PHE 386 CO -0.03 0.58 0.89 -0.40 0.70 0.00 0.00 175.22 176.96 3ivr n ASP 387 N 0.27 1.59 0.26 1.36 5.68 -0.41 0.00 116.55 125.30 3ivr n ASP 387 Ca -0.06 -2.25 0.11 0.00 -0.50 0.00 0.00 54.79 52.10 3ivr n ASP 387 Cb 0.51 -0.54 0.72 0.00 -1.14 0.00 0.00 41.12 40.67 3ivr n ASP 387 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ivr h ALA 388 N -0.33 1.51 -0.13 2.12 0.00 -1.93 -2.22 119.26 118.29 3ivr h ALA 388 Ca -0.30 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3ivr h ALA 388 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ivr h ALA 388 CO 0.36 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 3ivr n ASP 389 N -3.94 1.79 0.00 0.00 8.00 -1.26 -4.94 116.55 116.21 3ivr n ASP 389 Ca -0.02 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.80 3ivr n ASP 389 Cb 0.18 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3ivr n ASP 389 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ivr n GLY 390 N 1.18 0.43 3.77 0.44 0.00 -0.83 -5.05 105.19 105.12 3ivr n GLY 390 Ca 0.17 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 3ivr n GLY 390 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ivr s TYR 391 N -2.00 3.79 -0.03 1.61 2.02 -1.26 -4.34 117.35 117.13 3ivr s TYR 391 Ca 0.00 1.42 -0.14 0.00 -0.37 0.00 0.00 57.07 57.98 3ivr s TYR 391 Cb 0.00 -2.69 -0.05 0.00 -0.40 0.00 0.00 41.96 38.81 3ivr s TYR 391 CO 0.00 0.42 0.37 -1.17 -1.57 0.00 0.00 175.55 173.60 3ivr s LEU 392 N -0.60 4.44 -0.19 -1.29 2.96 -0.32 -1.29 118.68 122.39 3ivr s LEU 392 Ca 0.34 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3ivr s LEU 392 Cb -0.21 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 43.98 3ivr s LEU 392 CO 0.22 0.31 -0.13 -0.36 -1.32 0.00 0.00 176.35 175.07 3ivr s PHE 393 N -0.91 2.85 0.15 5.38 0.08 0.49 0.43 117.98 126.45 3ivr s PHE 393 Ca 0.22 -1.26 -0.31 0.00 0.12 0.00 0.00 56.93 55.70 3ivr s PHE 393 Cb -0.16 -1.99 -0.08 0.00 -0.57 0.00 0.00 43.02 40.22 3ivr s PHE 393 CO 0.11 -0.65 1.35 -0.47 -0.10 0.00 0.00 175.22 175.47 3ivr s TYR 394 N 1.28 3.26 -0.11 0.36 5.04 -1.26 -1.73 117.35 124.18 3ivr s TYR 394 Ca 0.04 1.07 0.16 0.00 -2.44 0.00 0.00 57.07 55.90 3ivr s TYR 394 Cb -0.14 -3.64 0.26 0.00 0.35 0.00 0.00 41.96 38.79 3ivr s TYR 394 CO -0.07 -2.14 1.13 0.00 -1.34 0.00 0.00 175.55 173.13 3ivr n ALA 395 N 3.42 2.29 0.00 3.97 0.00 0.20 -4.92 120.51 125.47 3ivr n ALA 395 Ca 0.09 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.11 3ivr n ALA 395 Cb 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3ivr n ALA 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivr n GLY 396 N -1.20 0.27 3.78 0.00 0.00 -1.25 -4.76 105.19 102.04 3ivr n GLY 396 Ca 0.14 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 3ivr n GLY 396 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ivr s ARG 397 N -1.13 2.24 0.00 1.61 1.81 -1.26 0.11 118.95 122.33 3ivr s ARG 397 Ca 0.00 0.94 0.24 0.00 -1.72 0.00 0.00 55.73 55.19 3ivr s ARG 397 Cb 0.00 -1.91 1.42 0.00 -0.45 0.00 0.00 34.95 34.01 3ivr s ARG 397 CO 0.00 -1.59 1.79 0.00 -0.68 0.00 0.00 175.30 174.82