#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 0.38 -1.31 1.04 5.85 -2.07 -0.52 115.31 118.68 3ivr h LEU 4 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ivr h LEU 4 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3ivr h LEU 4 CO 0.00 -0.15 0.00 1.41 -0.34 0.00 0.00 178.44 179.36 3ivr n HIS 5 N -4.86 0.38 -3.61 1.25 8.25 -1.26 -4.94 115.22 110.44 3ivr n HIS 5 Ca 0.34 -0.19 -0.37 0.00 -0.26 0.00 0.00 57.72 57.24 3ivr n HIS 5 Cb 1.18 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.23 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 -1.26 6.67 -0.20 0.41 1.01 -0.20 -5.05 116.67 118.06 3ivr s ASP 6 Ca 0.29 0.80 -0.02 0.00 0.71 0.00 0.00 52.55 54.33 3ivr s ASP 6 Cb 0.15 -2.19 0.06 0.00 1.01 0.00 0.00 42.92 41.95 3ivr s ASP 6 CO 0.22 0.30 0.00 0.12 0.21 0.00 0.00 175.17 176.02 3ivr s PHE 7 N -1.16 1.41 0.36 4.23 5.36 -1.26 -5.04 117.98 121.88 3ivr s PHE 7 Ca 0.24 -1.07 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 3ivr s PHE 7 Cb -0.15 -1.18 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 3ivr s PHE 7 CO 0.13 -0.64 0.16 0.25 -1.46 0.00 0.00 175.22 173.66 3ivr n THR 8 N 4.94 0.00 0.11 0.12 -2.24 -1.26 -4.79 114.28 111.16 3ivr n THR 8 Ca -0.10 -1.55 0.11 0.00 -2.27 0.00 0.00 64.05 60.24 3ivr n THR 8 Cb 0.47 0.04 0.61 0.00 -2.10 0.00 0.00 70.33 69.35 3ivr n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ivr h LEU 9 N 0.00 0.11 -0.69 3.22 3.38 -1.90 -1.74 115.31 117.69 3ivr h LEU 9 Ca -0.26 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3ivr h LEU 9 Cb 0.87 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3ivr h LEU 9 CO 0.42 0.07 0.45 0.00 0.09 0.00 0.00 178.44 179.47 3ivr h ALA 10 N 1.86 0.89 -0.17 1.53 0.00 -1.93 -1.65 119.26 119.78 3ivr h ALA 10 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ivr h ALA 10 Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ivr h ALA 10 CO -0.02 0.26 -0.17 -0.44 0.00 0.00 0.00 179.25 178.89 3ivr h ASP 11 N 0.90 0.26 -0.07 0.00 3.32 -1.70 -1.94 116.42 117.18 3ivr h ASP 11 Ca 0.26 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ivr h ASP 11 Cb -0.05 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3ivr h ASP 11 CO -0.08 0.45 0.04 0.58 -1.72 0.00 0.00 179.24 178.52 3ivr h VAL 12 N 0.26 1.08 -0.81 -1.35 2.07 -1.02 0.39 116.25 116.87 3ivr h VAL 12 Ca 0.05 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3ivr h VAL 12 Cb 0.45 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3ivr h VAL 12 CO 0.03 0.07 0.52 1.88 0.02 0.00 0.00 177.57 180.08 3ivr h TYR 13 N 0.03 1.03 -0.25 1.57 0.05 -1.02 0.48 116.97 118.86 3ivr h TYR 13 Ca 0.02 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 3ivr h TYR 13 Cb 0.07 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3ivr h TYR 13 CO -0.05 0.67 -0.38 0.00 -1.05 0.00 0.00 178.16 177.35 3ivr h ARG 14 N 1.10 0.57 0.05 4.88 3.08 -1.31 -1.66 114.38 121.10 3ivr h ARG 14 Ca 0.29 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ivr h ARG 14 Cb -0.10 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3ivr h ARG 14 CO -0.06 0.86 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.58 3ivr h ARG 15 N 0.47 -0.07 -0.64 0.04 2.43 -0.30 -1.66 114.38 114.65 3ivr h ARG 15 Ca 0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3ivr h ARG 15 Cb 0.87 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3ivr h ARG 15 CO 0.07 0.10 0.23 -0.91 -1.51 0.00 0.00 179.97 177.95 3ivr h ASN 16 N -0.22 0.88 0.16 -3.80 2.35 -0.83 0.88 115.58 115.00 3ivr h ASN 16 Ca -0.01 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.49 3ivr h ASN 16 Cb 0.20 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3ivr h ASN 16 CO 0.01 0.81 -0.43 0.00 -1.65 0.00 0.00 177.43 176.17 3ivr h ALA 17 N 1.32 1.00 -0.08 -0.83 0.00 -1.28 0.12 119.26 119.50 3ivr h ALA 17 Ca 0.21 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3ivr h ALA 17 Cb 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ivr h ALA 17 CO -0.01 0.62 -0.59 0.00 0.00 0.00 0.00 179.25 179.27 3ivr h ALA 18 N 1.27 0.18 0.02 0.00 0.00 -0.58 -3.28 119.26 116.87 3ivr h ALA 18 Ca 0.02 -0.54 -0.37 0.00 0.00 0.00 0.00 54.91 54.02 3ivr h ALA 18 Cb 0.87 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3ivr h ALA 18 CO 0.07 0.43 -2.29 1.28 0.00 0.00 0.00 179.25 178.75 3ivr n LEU 19 N -4.17 1.80 -2.62 0.00 4.77 0.24 -4.64 117.00 112.38 3ivr n LEU 19 Ca -0.09 0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.70 3ivr n LEU 19 Cb 0.65 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3ivr n LEU 19 CO 0.48 0.73 0.07 0.49 -1.33 0.00 0.00 177.39 177.83 3ivr n PHE 20 N -3.12 2.65 -0.16 -1.77 3.72 0.41 -4.97 117.46 114.23 3ivr n PHE 20 Ca -0.37 -3.16 0.03 0.00 -0.05 0.00 0.00 57.45 53.90 3ivr n PHE 20 Cb 1.06 -0.23 0.31 0.00 -0.94 0.00 0.00 39.48 39.68 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 2.77 0.83 -0.05 -1.08 0.13 -1.60 -2.72 132.00 130.28 3ivr h PRO 21 Ca 0.15 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ivr h PRO 21 Cb 0.95 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3ivr h PRO 21 CO 0.73 0.55 0.00 -0.25 -0.23 0.00 0.00 178.00 178.79 3ivr n ASP 22 N -4.45 2.76 -4.80 1.44 8.00 -1.26 -1.84 116.55 116.40 3ivr n ASP 22 Ca 0.07 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.33 3ivr n ASP 22 Cb 0.08 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.97 3.71 0.20 -1.24 0.52 -1.02 -4.87 118.95 114.27 3ivr s ARG 23 Ca 0.30 1.27 -0.31 0.00 -0.52 0.00 0.00 55.73 56.47 3ivr s ARG 23 Cb 0.20 -2.09 -0.11 0.00 0.52 0.00 0.00 34.95 33.48 3ivr s ARG 23 CO 0.31 -0.49 1.58 0.99 0.02 0.00 0.00 175.30 177.71 3ivr s THR 24 N -2.17 2.47 -0.20 0.02 2.01 -1.26 -1.87 115.64 114.63 3ivr s THR 24 Ca 0.65 0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.90 3ivr s THR 24 Cb -0.15 -3.22 -0.20 0.00 0.01 0.00 0.00 72.50 68.94 3ivr s THR 24 CO 0.25 0.03 0.07 0.00 -0.69 0.00 0.00 174.62 174.29 3ivr n ALA 25 N 3.58 1.03 -3.09 7.40 0.00 0.24 -4.03 120.51 125.64 3ivr n ALA 25 Ca 0.13 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 3ivr n ALA 25 Cb 0.38 -0.38 -0.11 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.13 -0.30 0.00 0.08 -0.77 -1.70 117.98 112.66 3ivr s PHE 26 Ca -0.30 0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.09 3ivr s PHE 26 Cb 0.08 0.04 0.08 0.00 -0.57 0.00 0.00 43.02 42.65 3ivr s PHE 26 CO 0.64 -0.17 -0.01 -1.64 -0.10 0.00 0.00 175.22 173.94 3ivr s MET 27 N -0.40 1.65 -0.48 0.44 -1.94 0.01 -0.59 119.30 117.98 3ivr s MET 27 Ca -0.05 -1.53 -0.05 0.00 -1.71 0.00 0.00 55.69 52.35 3ivr s MET 27 Cb -0.03 -2.92 0.13 0.00 2.01 0.00 0.00 34.83 34.01 3ivr s MET 27 CO 0.01 -0.79 0.31 0.08 -0.01 0.00 0.00 175.02 174.61 3ivr s VAL 28 N 1.09 3.65 -1.22 -6.03 1.01 -0.20 0.07 120.40 118.78 3ivr s VAL 28 Ca 0.03 -2.22 -0.04 0.00 0.00 0.00 0.00 61.98 59.74 3ivr s VAL 28 Cb -0.19 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3ivr s VAL 28 CO -0.08 -0.76 0.81 0.47 0.00 0.00 0.00 175.10 175.53 3ivr n ASP 29 N 4.38 -2.88 0.00 3.32 9.92 -1.01 -2.75 116.55 127.54 3ivr n ASP 29 Ca -0.01 -0.79 0.00 0.00 -0.53 0.00 0.00 54.79 53.47 3ivr n ASP 29 Cb 0.40 -4.40 0.00 0.00 -0.64 0.00 0.00 41.12 36.49 3ivr n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ivr n GLY 30 N -1.43 2.78 3.62 0.44 0.00 -1.26 -4.99 105.19 104.35 3ivr n GLY 30 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3ivr n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivr s VAL 31 N -2.44 4.44 0.06 1.61 1.01 -1.11 -5.03 120.40 118.94 3ivr s VAL 31 Ca 0.00 1.50 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 3ivr s VAL 31 Cb 0.00 -4.45 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 3ivr s VAL 31 CO 0.00 -0.64 0.57 -0.60 0.00 0.00 0.00 175.10 174.43 3ivr s ARG 32 N 3.84 4.20 -0.08 2.72 3.52 -1.26 -1.03 118.95 130.86 3ivr s ARG 32 Ca 0.45 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 3ivr s ARG 32 Cb -0.11 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3ivr s ARG 32 CO 0.20 0.62 -0.06 -1.17 -0.81 0.00 0.00 175.30 174.09 3ivr s LEU 33 N -1.03 1.14 0.72 -0.88 2.96 0.24 -4.99 118.68 116.84 3ivr s LEU 33 Ca 0.29 -0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 3ivr s LEU 33 Cb -0.19 -0.64 0.05 0.00 0.50 0.00 0.00 46.19 45.91 3ivr s LEU 33 CO 0.19 -0.10 1.05 0.42 -1.32 0.00 0.00 176.35 176.59 3ivr s THR 34 N 1.42 2.52 0.27 3.68 -4.23 -1.26 0.81 115.64 118.85 3ivr s THR 34 Ca -0.02 -0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 3ivr s THR 34 Cb -0.13 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.74 3ivr s THR 34 CO -0.04 -0.13 1.81 0.45 -0.54 0.00 0.00 174.62 176.17 3ivr h HIS 35 N -0.67 0.88 -0.21 3.99 3.86 -1.27 0.79 115.15 122.51 3ivr h HIS 35 Ca -0.45 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 58.62 3ivr h HIS 35 Cb 1.30 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 3ivr h HIS 35 CO 0.37 0.74 -0.08 -0.09 0.86 0.00 0.00 177.93 179.73 3ivr h ARG 36 N 0.82 0.43 -0.54 2.45 2.43 -1.62 -2.70 114.38 115.65 3ivr h ARG 36 Ca 0.18 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3ivr h ARG 36 Cb 0.31 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3ivr h ARG 36 CO 0.00 0.70 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.69 3ivr h ASP 37 N 0.14 0.93 -0.50 -3.80 3.32 -1.76 -1.98 116.42 112.77 3ivr h ASP 37 Ca 0.05 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3ivr h ASP 37 Cb 0.56 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3ivr h ASP 37 CO 0.03 1.00 0.33 0.22 -1.72 0.00 0.00 179.24 179.09 3ivr h TYR 38 N 0.86 0.62 -0.19 4.55 3.20 -0.83 0.04 116.97 125.23 3ivr h TYR 38 Ca 0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3ivr h TYR 38 Cb 0.55 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3ivr h TYR 38 CO 0.03 0.39 0.11 1.25 -1.64 0.00 0.00 178.16 178.30 3ivr h LEU 39 N 0.67 0.22 -0.39 2.82 5.85 -1.32 0.84 115.31 124.00 3ivr h LEU 39 Ca 0.19 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3ivr h LEU 39 Cb -0.07 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 3ivr h LEU 39 CO -0.05 0.21 -0.08 0.00 -0.34 0.00 0.00 178.44 178.18 3ivr h ALA 40 N 1.02 0.27 -0.01 1.25 0.00 -1.05 -0.86 119.26 119.89 3ivr h ALA 40 Ca 0.07 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ivr h ALA 40 Cb 0.03 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ivr h ALA 40 CO -0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 179.25 178.79 3ivr h ARG 41 N 0.01 0.02 -0.98 0.00 3.08 -0.79 -2.75 114.38 112.97 3ivr h ARG 41 Ca 0.19 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.33 3ivr h ARG 41 Cb 0.28 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 3ivr h ARG 41 CO -0.39 0.33 0.63 0.00 -1.07 0.00 0.00 179.97 179.47 3ivr h ALA 42 N 0.69 1.51 -0.44 0.04 0.00 -0.67 -1.95 119.26 118.45 3ivr h ALA 42 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ivr h ALA 42 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3ivr h ALA 42 CO 0.00 0.28 0.04 0.93 0.00 0.00 0.00 179.25 180.51 3ivr h GLU 43 N 1.03 0.74 -0.67 0.00 5.08 -1.08 0.38 114.58 120.06 3ivr h GLU 43 Ca 0.46 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3ivr h GLU 43 Cb 0.37 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3ivr h GLU 43 CO -0.22 0.79 0.27 0.00 -1.00 0.00 0.00 179.01 178.85 3ivr h ARG 44 N 0.59 0.98 -0.20 2.33 3.08 -1.16 0.14 114.38 120.13 3ivr h ARG 44 Ca 0.13 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 3ivr h ARG 44 Cb 0.43 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3ivr h ARG 44 CO 0.01 0.79 -0.63 -0.07 -1.07 0.00 0.00 179.97 179.01 3ivr h LEU 45 N 0.96 0.81 -0.42 3.04 3.38 -1.18 -0.61 115.31 121.30 3ivr h LEU 45 Ca 0.23 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3ivr h LEU 45 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ivr h LEU 45 CO -0.02 1.24 -0.03 0.00 0.09 0.00 0.00 178.44 179.72 3ivr h ALA 46 N 0.76 0.57 -0.86 1.53 0.00 -0.54 0.90 119.26 121.63 3ivr h ALA 46 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3ivr h ALA 46 Cb 1.22 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3ivr h ALA 46 CO 0.13 0.38 0.57 1.03 0.00 0.00 0.00 179.25 181.35 3ivr h SER 47 N 0.59 0.94 -0.05 0.00 0.87 -0.76 -1.08 113.55 114.05 3ivr h SER 47 Ca 0.12 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 3ivr h SER 47 Cb 0.53 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3ivr h SER 47 CO 0.03 0.65 -0.28 1.23 -0.53 0.00 0.00 176.83 177.94 3ivr h GLY 48 N 1.09 0.54 1.05 5.77 0.00 -0.99 -1.94 103.07 108.59 3ivr h GLY 48 Ca 0.33 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3ivr h GLY 48 CO -0.09 0.42 0.26 1.41 0.00 0.00 0.00 176.54 178.54 3ivr h LEU 49 N 0.44 1.07 -0.28 3.11 3.38 0.23 -1.75 115.31 121.51 3ivr h LEU 49 Ca 0.06 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3ivr h LEU 49 Cb 0.71 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ivr h LEU 49 CO 0.05 0.98 0.03 -0.07 0.09 0.00 0.00 178.44 179.52 3ivr h LEU 50 N 1.11 0.46 -0.88 1.67 3.38 -1.18 -0.97 115.31 118.90 3ivr h LEU 50 Ca 0.25 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3ivr h LEU 50 Cb 0.27 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3ivr h LEU 50 CO -0.01 0.62 0.51 -0.09 0.09 0.00 0.00 178.44 179.56 3ivr h ARG 51 N 0.28 0.78 0.00 1.13 2.43 -1.22 0.52 114.38 118.31 3ivr h ARG 51 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3ivr h ARG 51 Cb 0.37 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3ivr h ARG 51 CO 0.01 0.52 0.00 -0.25 -1.51 0.00 0.00 179.97 178.74 3ivr n ASP 52 N -4.74 0.00 0.00 -3.80 9.92 -0.67 -4.90 116.55 112.36 3ivr n ASP 52 Ca 0.16 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 3ivr n ASP 52 Cb 0.33 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.25 1.14 3.72 0.44 0.00 0.17 -4.80 105.19 106.11 3ivr n GLY 53 Ca 0.07 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 4.97 0.28 1.61 1.01 -0.39 -5.01 120.40 120.87 3ivr s VAL 54 Ca 0.00 1.64 0.08 0.00 0.00 0.00 0.00 61.98 63.71 3ivr s VAL 54 Cb 0.00 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3ivr s VAL 54 CO 0.00 0.23 0.09 -1.00 0.00 0.00 0.00 175.10 174.43 3ivr s HIS 55 N 0.80 2.82 -0.07 5.22 3.76 -1.26 -4.42 115.29 122.14 3ivr s HIS 55 Ca 0.42 -0.23 -0.39 0.00 -0.15 0.00 0.00 55.06 54.71 3ivr s HIS 55 Cb -0.19 -1.37 -0.18 0.00 1.11 0.00 0.00 32.58 31.96 3ivr s HIS 55 CO 0.21 0.52 1.39 2.41 -0.85 0.00 0.00 174.74 178.42 3ivr n THR 56 N -1.05 0.06 0.00 1.30 -1.04 -1.25 -1.20 114.28 111.11 3ivr n THR 56 Ca -0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3ivr n THR 56 Cb 0.59 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 3ivr n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ivr n GLY 57 N 2.78 2.58 3.78 3.41 0.00 -0.57 -4.94 105.19 112.23 3ivr n GLY 57 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.38 5.42 -0.05 1.61 1.01 -0.34 -4.63 116.67 118.32 3ivr s ASP 58 Ca 0.00 1.94 -0.13 0.00 0.71 0.00 0.00 52.55 55.07 3ivr s ASP 58 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3ivr s ASP 58 CO 0.00 -1.42 0.33 -0.13 0.21 0.00 0.00 175.17 174.16 3ivr s ARG 59 N -4.02 3.82 -0.23 8.23 3.00 -1.26 -0.57 118.95 127.93 3ivr s ARG 59 Ca 0.66 0.24 -0.02 0.00 0.00 0.00 0.00 55.73 56.61 3ivr s ARG 59 Cb -0.19 -3.23 0.01 0.00 0.00 0.00 0.00 34.95 31.54 3ivr s ARG 59 CO 0.38 0.67 -0.06 0.08 0.00 0.00 0.00 175.30 176.37 3ivr s VAL 60 N -0.91 3.03 0.08 3.52 1.01 -0.06 -0.45 120.40 126.62 3ivr s VAL 60 Ca 0.21 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3ivr s VAL 60 Cb -0.15 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3ivr s VAL 60 CO 0.10 0.33 0.27 0.00 0.00 0.00 0.00 175.10 175.79 3ivr s ALA 61 N 1.39 3.92 -0.03 5.51 0.00 0.16 -0.47 121.76 132.25 3ivr s ALA 61 Ca 0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 3ivr s ALA 61 Cb -0.15 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.04 3ivr s ALA 61 CO -0.05 0.76 0.05 -1.50 0.00 0.00 0.00 175.76 175.02 3ivr s ILE 62 N -1.53 -0.04 -0.32 0.00 2.07 -0.42 -0.22 121.20 120.75 3ivr s ILE 62 Ca 0.36 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.77 3ivr s ILE 62 Cb -0.13 -0.10 0.10 0.00 0.13 0.00 0.00 42.46 42.46 3ivr s ILE 62 CO 0.25 0.06 0.06 -0.22 -1.91 0.00 0.00 174.94 173.18 3ivr s LEU 63 N 0.79 3.57 -0.12 8.50 2.96 -0.77 -0.30 118.68 133.31 3ivr s LEU 63 Ca -0.06 -1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 51.68 3ivr s LEU 63 Cb -0.09 -1.29 0.10 0.00 0.50 0.00 0.00 46.19 45.41 3ivr s LEU 63 CO -0.03 -0.38 0.84 -0.55 -1.32 0.00 0.00 176.35 174.91 3ivr s SER 64 N 1.23 -0.53 0.75 3.68 0.15 -1.26 -0.35 113.70 117.37 3ivr s SER 64 Ca 0.09 0.64 -0.11 0.00 0.70 0.00 0.00 55.95 57.27 3ivr s SER 64 Cb -0.18 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 3ivr s SER 64 CO -0.15 -0.45 1.08 -1.10 1.20 0.00 0.00 173.24 173.82 3ivr s GLN 65 N -0.98 2.48 0.18 5.44 -0.21 -1.26 -4.87 119.66 120.44 3ivr s GLN 65 Ca -0.06 0.93 -0.33 0.00 0.02 0.00 0.00 55.36 55.92 3ivr s GLN 65 Cb -0.01 -1.94 -0.14 0.00 1.00 0.00 0.00 33.01 31.92 3ivr s GLN 65 CO 0.05 -1.42 1.49 0.09 -2.12 0.00 0.00 175.29 173.38 3ivr n ASN 66 N -3.34 2.78 -3.67 5.90 3.02 -1.26 -4.92 115.26 113.77 3ivr n ASN 66 Ca 0.08 1.11 -0.05 0.00 -0.03 0.00 0.00 54.58 55.68 3ivr n ASN 66 Cb 0.54 -1.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.31 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 2.00 0.13 -0.31 0.00 4.64 -1.93 -2.49 113.55 115.58 3ivr h SER 68 Ca -0.23 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3ivr h SER 68 Cb 1.24 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3ivr h SER 68 CO 0.27 0.44 0.08 -0.33 -0.87 0.00 0.00 176.83 176.42 3ivr h GLU 69 N 0.11 0.50 -0.64 4.77 3.07 -1.97 -1.90 114.58 118.52 3ivr h GLU 69 Ca 0.02 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3ivr h GLU 69 Cb 0.61 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 3ivr h GLU 69 CO 0.04 0.56 0.38 1.98 -1.40 0.00 0.00 179.01 180.57 3ivr h MET 70 N 0.35 0.87 -0.46 2.33 4.05 -1.81 -0.51 114.93 119.74 3ivr h MET 70 Ca 0.10 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3ivr h MET 70 Cb 0.28 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 3ivr h MET 70 CO -0.00 0.63 0.21 0.82 0.23 0.00 0.00 176.91 178.80 3ivr h ILE 71 N 0.87 1.19 -0.47 1.77 2.04 -1.33 -1.65 117.51 119.93 3ivr h ILE 71 Ca 0.23 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 3ivr h ILE 71 Cb -0.02 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3ivr h ILE 71 CO -0.04 0.21 -0.06 -0.33 0.00 0.00 0.00 178.15 177.93 3ivr h GLU 72 N 0.60 0.81 -0.56 2.37 5.08 -1.23 -3.11 114.58 118.55 3ivr h GLU 72 Ca 0.16 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3ivr h GLU 72 Cb 0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3ivr h GLU 72 CO -0.02 0.85 0.22 1.25 -1.00 0.00 0.00 179.01 180.31 3ivr h LEU 73 N 0.74 0.77 -0.72 1.33 5.85 -0.74 -1.89 115.31 120.65 3ivr h LEU 73 Ca 0.13 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.82 3ivr h LEU 73 Cb 0.53 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 3ivr h LEU 73 CO 0.03 0.74 0.24 0.40 -0.34 0.00 0.00 178.44 179.51 3ivr h ILE 74 N 0.76 0.63 -0.37 4.05 2.04 -1.24 -0.91 117.51 122.47 3ivr h ILE 74 Ca 0.18 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 3ivr h ILE 74 Cb 0.21 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3ivr h ILE 74 CO -0.01 0.07 -0.06 1.23 0.00 0.00 0.00 178.15 179.37 3ivr h GLY 75 N 0.37 0.74 0.69 5.37 0.00 -1.45 -1.87 103.07 106.93 3ivr h GLY 75 Ca 0.39 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.17 3ivr h GLY 75 CO -0.42 0.54 0.12 0.00 0.00 0.00 0.00 176.54 176.78 3ivr h ALA 76 N 0.84 0.39 -0.48 3.60 0.00 -0.88 -1.29 119.26 121.44 3ivr h ALA 76 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ivr h ALA 76 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ivr h ALA 76 CO 0.03 -0.28 0.23 0.28 0.00 0.00 0.00 179.25 179.51 3ivr h VAL 77 N 0.26 1.19 -0.73 0.00 2.07 -1.16 -2.86 116.25 115.02 3ivr h VAL 77 Ca 0.16 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.21 3ivr h VAL 77 Cb 0.13 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3ivr h VAL 77 CO -0.16 0.21 0.42 0.00 0.02 0.00 0.00 177.57 178.05 3ivr h ALA 78 N 1.08 0.98 0.00 1.67 0.00 -1.05 -1.85 119.26 120.09 3ivr h ALA 78 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ivr h ALA 78 Cb 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ivr h ALA 78 CO -0.02 0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 179.26 3ivr h LEU 79 N 0.78 0.00 -2.79 0.00 3.38 -1.00 -2.90 115.31 112.78 3ivr h LEU 79 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3ivr h LEU 79 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3ivr h LEU 79 CO -0.18 0.02 0.00 2.30 0.09 0.00 0.00 178.44 180.67 3ivr n ILE 80 N -3.32 0.90 -1.74 1.22 -5.35 -1.09 -4.63 119.36 105.35 3ivr n ILE 80 Ca -0.02 -0.95 -0.10 0.00 -0.27 0.00 0.00 62.75 61.40 3ivr n ILE 80 Cb 0.13 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 38.56 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 -0.39 0.58 3.94 3.28 0.00 -1.02 -3.80 105.19 107.78 3ivr n GLY 81 Ca 0.01 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.45 2.90 -0.17 4.61 0.00 -0.73 -1.51 121.76 124.41 3ivr s ALA 82 Ca 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.75 3ivr s ALA 82 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.59 3ivr s ALA 82 CO 0.00 -1.82 -0.20 0.42 0.00 0.00 0.00 175.76 174.17 3ivr s ILE 83 N -3.50 2.16 0.13 0.00 1.01 0.27 -4.51 121.20 116.76 3ivr s ILE 83 Ca 0.67 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 3ivr s ILE 83 Cb -0.07 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 3ivr s ILE 83 CO 0.48 0.54 0.96 -0.22 0.00 0.00 0.00 174.94 176.70 3ivr s LEU 84 N 1.13 4.52 -0.63 2.97 2.96 0.69 -0.88 118.68 129.44 3ivr s LEU 84 Ca 0.01 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.77 3ivr s LEU 84 Cb -0.14 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.11 3ivr s LEU 84 CO -0.08 -0.04 0.41 -0.22 -1.32 0.00 0.00 176.35 175.09 3ivr s LEU 85 N -0.18 4.74 -0.28 -0.68 2.96 0.38 -1.46 118.68 124.16 3ivr s LEU 85 Ca 0.46 -3.30 -0.26 0.00 -0.22 0.00 0.00 54.13 50.82 3ivr s LEU 85 Cb -0.24 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.75 3ivr s LEU 85 CO 0.30 -0.21 0.90 -2.16 -1.32 0.00 0.00 176.35 173.86 3ivr s PRO 86 N -0.69 4.08 0.01 0.98 0.04 -1.26 -1.30 135.00 136.87 3ivr s PRO 86 Ca 0.20 0.90 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 3ivr s PRO 86 Cb -0.17 -3.70 -0.06 0.00 0.04 0.00 0.00 34.50 30.62 3ivr s PRO 86 CO -0.06 -0.68 0.60 0.08 0.04 0.00 0.00 177.00 176.98 3ivr s VAL 87 N 3.12 4.87 -0.29 -0.36 1.01 0.59 -4.79 120.40 124.54 3ivr s VAL 87 Ca 0.38 1.27 -0.28 0.00 0.00 0.00 0.00 61.98 63.35 3ivr s VAL 87 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3ivr s VAL 87 CO 0.11 0.43 1.99 0.21 0.00 0.00 0.00 175.10 177.85 3ivr s ASN 88 N -0.32 5.65 0.00 3.32 3.84 -1.26 -4.50 114.94 121.67 3ivr s ASN 88 Ca 0.31 1.52 0.18 0.00 0.21 0.00 0.00 52.86 55.09 3ivr s ASN 88 Cb -0.19 -2.52 0.96 0.00 -0.55 0.00 0.00 41.25 38.95 3ivr s ASN 88 CO 0.18 -1.86 1.56 0.00 -2.79 0.00 0.00 177.10 174.18 3ivr n TYR 89 N 11.09 0.00 1.43 0.43 0.18 -1.26 -2.73 117.16 126.29 3ivr n TYR 89 Ca 0.26 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.18 3ivr n TYR 89 Cb 0.46 -0.25 0.49 0.00 -0.38 0.00 0.00 39.34 39.67 3ivr n TYR 89 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 3ivr n ARG 90 N -1.25 1.40 -2.45 -3.48 3.00 -1.26 -4.91 116.66 107.70 3ivr n ARG 90 Ca 0.09 -0.80 -0.30 0.00 -0.00 0.00 0.00 57.85 56.85 3ivr n ARG 90 Cb 0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 32.46 31.10 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 -2.16 3.58 0.99 6.15 1.43 -1.11 -5.09 118.68 122.48 3ivr s LEU 91 Ca 0.34 1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 54.51 3ivr s LEU 91 Cb 0.20 -4.18 0.19 0.00 0.03 0.00 0.00 46.19 42.44 3ivr s LEU 91 CO 0.39 -0.61 1.16 0.54 0.23 0.00 0.00 176.35 178.07 3ivr s ASN 92 N -3.70 2.79 0.46 2.29 2.20 -1.26 -4.80 114.94 112.92 3ivr s ASN 92 Ca 0.52 0.77 0.14 0.00 -0.94 0.00 0.00 52.86 53.36 3ivr s ASN 92 Cb -0.10 -1.18 1.04 0.00 -2.00 0.00 0.00 41.25 39.00 3ivr s ASN 92 CO 0.41 -2.98 2.02 0.00 -2.94 0.00 0.00 177.10 173.61 3ivr h ALA 93 N -1.80 1.75 -0.17 3.54 0.00 -1.99 -1.49 119.26 119.09 3ivr h ALA 93 Ca -0.48 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 3ivr h ALA 93 Cb 1.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ivr h ALA 93 CO 0.51 0.19 -0.21 -0.44 0.00 0.00 0.00 179.25 179.31 3ivr h ASP 94 N 0.01 0.48 -0.36 0.00 5.19 -1.99 -1.43 116.42 118.33 3ivr h ASP 94 Ca 0.00 -0.50 -0.04 0.00 -0.62 0.00 0.00 57.03 55.88 3ivr h ASP 94 Cb 0.27 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3ivr h ASP 94 CO 0.02 0.88 0.08 -0.33 -3.12 0.00 0.00 179.24 176.77 3ivr h GLU 95 N 0.09 0.57 -0.75 3.56 5.08 -1.87 0.03 114.58 121.29 3ivr h GLU 95 Ca 0.02 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3ivr h GLU 95 Cb 0.76 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3ivr h GLU 95 CO 0.05 0.63 0.48 0.82 -1.00 0.00 0.00 179.01 179.99 3ivr h ILE 96 N 0.42 1.12 -0.19 3.13 2.04 -1.31 0.30 117.51 123.03 3ivr h ILE 96 Ca 0.11 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3ivr h ILE 96 Cb 0.31 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3ivr h ILE 96 CO 0.00 0.17 0.12 0.00 0.00 0.00 0.00 178.15 178.44 3ivr h ALA 97 N 1.31 0.24 -0.22 1.87 0.00 -1.08 -0.38 119.26 121.00 3ivr h ALA 97 Ca 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ivr h ALA 97 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ivr h ALA 97 CO -0.10 -0.26 0.13 0.35 0.00 0.00 0.00 179.25 179.37 3ivr h PHE 98 N 0.24 0.24 -0.10 0.00 3.57 -0.43 -0.75 116.94 119.71 3ivr h PHE 98 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3ivr h PHE 98 Cb 0.01 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3ivr h PHE 98 CO -0.05 0.15 0.06 0.28 -2.23 0.00 0.00 178.31 176.51 3ivr h VAL 99 N 0.27 1.08 -0.70 1.41 2.07 -0.25 0.94 116.25 121.07 3ivr h VAL 99 Ca 0.09 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3ivr h VAL 99 Cb -0.00 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3ivr h VAL 99 CO -0.04 0.07 0.43 -0.07 0.02 0.00 0.00 177.57 177.98 3ivr h LEU 100 N 0.07 0.83 -0.39 2.57 3.38 -0.99 -1.94 115.31 118.84 3ivr h LEU 100 Ca 0.04 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3ivr h LEU 100 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ivr h LEU 100 CO -0.01 0.63 -0.34 1.23 0.09 0.00 0.00 178.44 180.05 3ivr h GLY 101 N 0.99 1.00 0.97 0.83 0.00 -0.76 -2.40 103.07 103.70 3ivr h GLY 101 Ca 0.25 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3ivr h GLY 101 CO -0.05 0.90 0.24 -1.80 0.00 0.00 0.00 176.54 175.83 3ivr h ASP 102 N 0.73 0.58 1.53 0.19 3.58 -0.35 -2.94 116.42 119.74 3ivr h ASP 102 Ca 0.07 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 3ivr h ASP 102 Cb 0.93 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 3ivr h ASP 102 CO 0.09 0.51 -0.09 1.23 -2.88 0.00 0.00 179.24 178.09 3ivr h GLY 103 N 0.60 0.00 -6.51 -0.78 0.00 -1.38 -3.48 103.07 91.51 3ivr h GLY 103 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.00 3ivr h GLY 103 CO -0.02 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 175.56 3ivr n ALA 104 N -2.13 -2.59 -1.47 3.60 0.00 -0.91 -4.71 120.51 112.31 3ivr n ALA 104 Ca 0.02 -0.37 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 3ivr n ALA 104 Cb 0.48 -3.36 0.06 0.00 0.00 0.00 0.00 19.45 16.64 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 -6.44 2.54 0.00 0.00 0.04 -1.26 -4.62 135.00 125.27 3ivr s PRO 105 Ca 0.46 1.58 0.21 0.00 0.04 0.00 0.00 61.00 63.29 3ivr s PRO 105 Cb -0.20 -1.90 -0.24 0.00 0.04 0.00 0.00 34.50 32.20 3ivr s PRO 105 CO 0.90 -1.48 0.57 0.43 0.04 0.00 0.00 177.00 177.46 3ivr n SER 106 N -2.45 0.25 -3.97 6.66 7.64 0.40 -3.69 113.62 118.46 3ivr n SER 106 Ca 0.12 0.10 -0.18 0.00 1.01 0.00 0.00 58.87 59.93 3ivr n SER 106 Cb 0.51 1.37 -0.15 0.00 -1.01 0.00 0.00 64.21 64.93 3ivr n SER 106 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ivr s VAL 107 N -3.29 0.54 -0.09 0.44 1.01 -1.22 -0.54 120.40 117.26 3ivr s VAL 107 Ca -0.06 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3ivr s VAL 107 Cb 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3ivr s VAL 107 CO 0.87 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 175.24 3ivr s VAL 108 N 0.07 1.79 -0.19 2.92 1.01 -0.89 -0.66 120.40 124.45 3ivr s VAL 108 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3ivr s VAL 108 Cb -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3ivr s VAL 108 CO -0.00 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.79 3ivr s VAL 109 N 0.43 2.82 -0.18 2.92 1.01 0.70 -0.79 120.40 127.31 3ivr s VAL 109 Ca -0.18 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 3ivr s VAL 109 Cb -0.17 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3ivr s VAL 109 CO 0.07 0.48 0.18 0.00 0.00 0.00 0.00 175.10 175.84 3ivr s ALA 110 N 1.22 3.68 0.66 5.51 0.00 0.55 -1.85 121.76 131.53 3ivr s ALA 110 Ca 0.02 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 3ivr s ALA 110 Cb -0.14 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 3ivr s ALA 110 CO -0.05 0.20 1.11 0.20 0.00 0.00 0.00 175.76 177.22 3ivr s GLY 111 N 0.20 2.14 0.27 0.00 0.00 0.53 -1.00 107.32 109.46 3ivr s GLY 111 Ca 0.11 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3ivr s GLY 111 CO 0.01 0.89 1.71 -0.84 0.00 0.00 0.00 173.10 174.86 3ivr h THR 112 N 0.02 0.54 0.00 0.90 2.02 -1.88 0.27 112.91 114.77 3ivr h THR 112 Ca -0.47 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3ivr h THR 112 Cb 1.25 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3ivr h THR 112 CO 0.54 0.07 0.00 0.47 0.37 0.00 0.00 175.52 176.98 3ivr n ASP 113 N -5.04 0.00 0.00 4.18 8.00 -1.26 -3.98 116.55 118.45 3ivr n ASP 113 Ca 0.19 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.88 3ivr n ASP 113 Cb 0.55 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.06 0.00 -0.30 1.24 4.01 0.93 -4.77 117.16 117.20 3ivr n TYR 114 Ca 0.22 -0.42 0.08 0.00 -0.16 0.00 0.00 57.90 57.62 3ivr n TYR 114 Cb 0.13 -0.04 0.30 0.00 -0.31 0.00 0.00 39.34 39.43 3ivr n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ivr h ARG 115 N 0.00 0.84 -0.11 -0.72 3.08 -1.65 -2.41 114.38 113.40 3ivr h ARG 115 Ca 0.00 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 3ivr h ARG 115 Cb 0.58 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.44 3ivr h ARG 115 CO 0.00 0.56 -0.51 -0.44 -1.07 0.00 0.00 179.97 178.51 3ivr h ASP 116 N 0.86 0.64 -0.26 7.04 3.32 -1.91 -1.53 116.42 124.58 3ivr h ASP 116 Ca 0.45 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3ivr h ASP 116 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3ivr h ASP 116 CO -0.21 1.17 0.13 0.40 -1.72 0.00 0.00 179.24 179.01 3ivr h ILE 117 N 0.15 1.14 -0.57 0.35 2.04 -1.88 -1.11 117.51 117.63 3ivr h ILE 117 Ca -0.03 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3ivr h ILE 117 Cb 1.15 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3ivr h ILE 117 CO 0.11 0.14 0.13 0.58 0.00 0.00 0.00 178.15 179.10 3ivr h VAL 118 N 0.30 1.25 -0.29 1.67 2.07 -1.49 -2.36 116.25 117.40 3ivr h VAL 118 Ca 0.09 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3ivr h VAL 118 Cb 0.10 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3ivr h VAL 118 CO -0.01 0.33 -0.00 0.00 0.02 0.00 0.00 177.57 177.91 3ivr h ALA 119 N 1.02 1.47 -0.78 1.67 0.00 -1.24 -0.62 119.26 120.77 3ivr h ALA 119 Ca 0.18 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ivr h ALA 119 Cb 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3ivr h ALA 119 CO 0.00 0.38 0.48 0.78 0.00 0.00 0.00 179.25 180.90 3ivr h GLY 120 N 0.75 1.15 1.41 0.00 0.00 -0.69 -3.22 103.07 102.46 3ivr h GLY 120 Ca 0.09 -0.35 -0.26 0.00 0.00 0.00 0.00 47.33 46.81 3ivr h GLY 120 CO 0.01 0.26 -1.41 -2.08 0.00 0.00 0.00 176.54 173.32 3ivr h VAL 121 N 0.90 1.21 -0.87 4.60 2.07 -1.10 -3.39 116.25 119.68 3ivr h VAL 121 Ca 0.33 -3.01 0.23 0.00 0.82 0.00 0.00 66.70 65.07 3ivr h VAL 121 Cb 0.10 2.60 -0.15 0.00 -1.52 0.00 0.00 31.29 32.33 3ivr h VAL 121 CO -0.15 0.69 0.15 0.25 0.02 0.00 0.00 177.57 178.53 3ivr h LEU 122 N 0.00 -0.16 -1.84 2.57 5.85 -1.13 -1.09 115.31 119.51 3ivr h LEU 122 Ca -0.17 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3ivr h LEU 122 Cb 1.91 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 43.26 3ivr h LEU 122 CO 0.10 -0.20 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.23 3ivr h PRO 123 N 0.15 0.00 0.00 5.25 0.11 -1.76 -2.24 132.00 133.50 3ivr h PRO 123 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3ivr h PRO 123 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ivr h PRO 123 CO -0.70 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 176.08 3ivr n SER 124 N -4.13 0.00 -4.83 -2.05 3.41 -0.41 -4.85 113.62 100.75 3ivr n SER 124 Ca -0.02 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.29 3ivr n SER 124 Cb 0.21 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.71 4.47 -0.09 1.04 1.43 -0.85 -5.03 118.68 116.94 3ivr s LEU 125 Ca 0.22 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3ivr s LEU 125 Cb 0.19 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3ivr s LEU 125 CO 0.45 0.32 0.09 1.23 0.23 0.00 0.00 176.35 178.67 3ivr h GLY 126 N 4.79 -0.08 -2.94 -3.19 0.00 -1.89 -3.40 103.07 96.36 3ivr h GLY 126 Ca -0.51 0.03 -0.23 0.00 0.00 0.00 0.00 47.33 46.61 3ivr h GLY 126 CO 0.62 -0.03 0.21 0.61 0.00 0.00 0.00 176.54 177.95 3ivr n GLY 127 N 1.60 4.23 3.57 4.60 0.00 -1.26 -4.96 105.19 112.97 3ivr n GLY 127 Ca -0.01 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 3ivr n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivr s VAL 128 N -3.10 3.29 0.20 1.61 1.01 -1.24 -4.46 120.40 117.71 3ivr s VAL 128 Ca 0.51 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.75 3ivr s VAL 128 Cb 0.42 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 3ivr s VAL 128 CO 0.08 -0.52 1.48 0.11 0.00 0.00 0.00 175.10 176.25 3ivr h LYS 129 N 15.44 0.20 -2.53 2.72 1.79 -1.12 -3.47 116.57 129.61 3ivr h LYS 129 Ca -0.29 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 57.92 3ivr h LYS 129 Cb 1.19 0.04 -0.22 0.00 -1.58 0.00 0.00 32.23 31.66 3ivr h LYS 129 CO 1.14 0.84 -0.10 0.21 -1.08 0.00 0.00 179.45 180.46 3ivr s LYS 130 N -3.49 0.68 -0.04 3.15 2.47 -1.20 -5.06 119.74 116.25 3ivr s LYS 130 Ca -0.03 0.46 0.04 0.00 -1.56 0.00 0.00 55.97 54.88 3ivr s LYS 130 Cb 0.11 0.32 -0.00 0.00 -1.46 0.00 0.00 37.83 36.80 3ivr s LYS 130 CO 0.81 -0.13 -0.15 0.00 0.16 0.00 0.00 175.35 176.04 3ivr s ALA 131 N -0.27 1.36 0.11 3.13 0.00 -1.26 -2.09 121.76 122.74 3ivr s ALA 131 Ca -0.04 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.38 3ivr s ALA 131 Cb -0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3ivr s ALA 131 CO 0.03 0.24 -0.15 0.71 0.00 0.00 0.00 175.76 176.59 3ivr s TYR 132 N 0.09 1.40 -0.00 0.00 1.51 0.03 -1.96 117.35 118.41 3ivr s TYR 132 Ca -0.04 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.58 3ivr s TYR 132 Cb -0.11 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 3ivr s TYR 132 CO 0.02 0.13 -0.21 0.00 -1.11 0.00 0.00 175.55 174.37 3ivr s ALA 133 N -1.78 1.79 0.06 3.71 0.00 -0.11 -0.33 121.76 125.10 3ivr s ALA 133 Ca 0.06 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.75 3ivr s ALA 133 Cb -0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 3ivr s ALA 133 CO 0.03 0.43 1.37 0.42 0.00 0.00 0.00 175.76 178.02 3ivr s ILE 134 N -0.57 3.55 0.00 0.00 1.01 -0.17 -0.39 121.20 124.63 3ivr s ILE 134 Ca 0.08 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.79 3ivr s ILE 134 Cb -0.08 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3ivr s ILE 134 CO -0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3ivr n GLY 135 N 3.52 0.90 3.77 6.18 0.00 -1.26 -4.10 105.19 114.20 3ivr n GLY 135 Ca 0.12 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3ivr n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ivr s ASP 136 N -4.00 6.81 0.42 1.61 -0.00 -1.26 -3.86 116.67 116.38 3ivr s ASP 136 Ca 0.00 2.45 -0.26 0.00 -0.00 0.00 0.00 52.55 54.74 3ivr s ASP 136 Cb 0.00 -2.63 -0.09 0.00 -0.00 0.00 0.00 42.92 40.20 3ivr s ASP 136 CO 0.00 -0.48 1.38 -0.83 -0.00 0.00 0.00 175.17 175.23 3ivr s GLY 137 N -0.83 2.93 -0.21 0.21 0.00 -1.26 -4.73 107.32 103.43 3ivr s GLY 137 Ca 0.51 1.37 -0.13 0.00 0.00 0.00 0.00 44.72 46.47 3ivr s GLY 137 CO 0.44 1.98 0.52 -0.45 0.00 0.00 0.00 173.10 175.60 3ivr s SER 138 N -0.56 -0.66 1.08 1.64 0.15 -0.17 -4.88 113.70 110.29 3ivr s SER 138 Ca 0.58 1.12 0.00 0.00 0.70 0.00 0.00 55.95 58.35 3ivr s SER 138 Cb -0.41 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 3ivr s SER 138 CO 0.54 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.38 3ivr n GLY 139 N 4.06 2.95 0.13 9.45 0.00 -1.26 -0.93 105.19 119.59 3ivr n GLY 139 Ca -0.21 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3ivr n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ivr h PRO 140 N 0.00 0.00 -5.16 1.61 0.13 -1.98 -3.44 132.00 123.15 3ivr h PRO 140 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 3ivr h PRO 140 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 3ivr h PRO 140 CO 0.00 0.00 -0.23 -0.06 -0.23 0.00 0.00 178.00 177.48 3ivr s PHE 141 N -3.29 3.25 0.58 1.56 0.40 -0.11 -4.65 117.98 115.73 3ivr s PHE 141 Ca 0.06 0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 56.63 3ivr s PHE 141 Cb 0.10 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 3ivr s PHE 141 CO 0.45 -0.23 1.11 0.00 0.70 0.00 0.00 175.22 177.25 3ivr s ALA 142 N 2.07 2.63 0.41 5.36 0.00 -0.83 -0.99 121.76 130.41 3ivr s ALA 142 Ca 0.15 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 3ivr s ALA 142 Cb -0.16 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3ivr s ALA 142 CO 0.10 -0.93 1.29 -1.25 0.00 0.00 0.00 175.76 174.98 3ivr s PRO 143 N -3.62 3.94 0.41 0.00 0.04 -1.26 -0.94 135.00 133.57 3ivr s PRO 143 Ca 0.70 2.13 0.21 0.00 0.04 0.00 0.00 61.00 64.08 3ivr s PRO 143 Cb -0.22 -2.73 1.17 0.00 0.04 0.00 0.00 34.50 32.76 3ivr s PRO 143 CO 0.32 -0.51 1.75 0.35 0.04 0.00 0.00 177.00 178.96 3ivr h PHE 144 N 2.62 0.61 -0.32 0.56 3.57 -0.83 0.11 116.94 123.26 3ivr h PHE 144 Ca -0.50 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.12 3ivr h PHE 144 Cb 1.25 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3ivr h PHE 144 CO 0.53 0.02 0.40 1.57 -2.23 0.00 0.00 178.31 178.60 3ivr h LYS 145 N 0.33 0.00 0.00 1.11 2.10 -1.86 -0.07 116.57 118.18 3ivr h LYS 145 Ca 0.62 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.27 3ivr h LYS 145 Cb 1.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.01 3ivr h LYS 145 CO -0.30 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.90 3ivr n ASP 146 N -3.60 0.37 -0.15 7.07 10.43 0.03 -3.38 116.55 127.32 3ivr n ASP 146 Ca 0.05 0.56 -0.07 0.00 2.57 0.00 0.00 54.79 57.90 3ivr n ASP 146 Cb 0.55 -0.65 0.08 0.00 1.84 0.00 0.00 41.12 42.94 3ivr n ASP 146 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3ivr h LEU 147 N 0.00 0.90 -9.82 0.64 5.85 -1.17 -3.44 115.31 108.27 3ivr h LEU 147 Ca 0.00 -0.26 -0.55 0.00 0.84 0.00 0.00 57.88 57.90 3ivr h LEU 147 Cb 0.47 -0.24 0.11 0.00 0.37 0.00 0.00 40.66 41.37 3ivr h LEU 147 CO 0.00 0.99 0.66 0.00 -0.34 0.00 0.00 178.44 179.75 3ivr n ALA 148 N -2.49 1.85 -2.55 1.25 0.00 -1.22 -3.82 120.51 113.54 3ivr n ALA 148 Ca 0.02 0.36 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 3ivr n ALA 148 Cb 0.36 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 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 -0.11 2.16 0.00 0.00 0.15 -0.30 -4.82 113.70 110.78 3ivr s SER 149 Ca 0.56 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.71 3ivr s SER 149 Cb -0.53 -0.09 0.31 0.00 -1.71 0.00 0.00 66.02 64.00 3ivr s SER 149 CO 0.60 -0.06 1.28 0.47 1.20 0.00 0.00 173.24 176.74 3ivr n ASP 150 N 0.80 1.28 -4.69 5.45 8.00 -1.26 -4.63 116.55 121.49 3ivr n ASP 150 Ca -0.17 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 3ivr n ASP 150 Cb 0.55 0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 42.02 3ivr n ASP 150 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ivr s THR 151 N -2.64 2.59 0.13 -3.53 2.01 -1.26 -4.89 115.64 108.05 3ivr s THR 151 Ca 0.18 0.10 -0.34 0.00 0.31 0.00 0.00 61.69 61.94 3ivr s THR 151 Cb 0.18 -3.07 -0.14 0.00 0.01 0.00 0.00 72.50 69.48 3ivr s THR 151 CO 0.62 -0.00 1.56 -2.65 -0.69 0.00 0.00 174.62 173.46 3ivr n PRO 152 N 5.65 1.98 -2.07 4.92 -0.02 -1.26 -4.87 135.00 139.34 3ivr n PRO 152 Ca 0.17 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 3ivr n PRO 152 Cb 0.38 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3ivr n PRO 152 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3ivr s PHE 153 N 1.07 2.66 -0.20 6.00 5.36 -1.26 -5.01 117.98 126.60 3ivr s PHE 153 Ca 0.81 0.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.36 3ivr s PHE 153 Cb -0.73 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 38.18 3ivr s PHE 153 CO 0.40 -3.17 -0.10 0.45 -1.46 0.00 0.00 175.22 171.34 3ivr s SER 154 N 2.09 3.46 0.19 6.13 0.15 -1.26 -5.10 113.70 119.36 3ivr s SER 154 Ca 0.69 -0.92 -0.30 0.00 0.70 0.00 0.00 55.95 56.12 3ivr s SER 154 Cb -0.36 -1.25 -0.08 0.00 -1.71 0.00 0.00 66.02 62.62 3ivr s SER 154 CO 0.30 -0.15 1.13 0.00 1.20 0.00 0.00 173.24 175.72 3ivr s ALA 155 N 1.38 3.39 0.91 5.45 0.00 -1.26 -5.04 121.76 126.59 3ivr s ALA 155 Ca -0.02 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 3ivr s ALA 155 Cb -0.16 -3.37 0.14 0.00 0.00 0.00 0.00 23.12 19.73 3ivr s ALA 155 CO -0.08 -0.25 1.10 -2.14 0.00 0.00 0.00 175.76 174.39 3ivr s PRO 156 N -0.45 1.12 -0.03 0.00 0.02 -1.26 -5.02 135.00 129.37 3ivr s PRO 156 Ca 0.50 0.57 -0.30 0.00 0.02 0.00 0.00 61.00 61.79 3ivr s PRO 156 Cb -0.31 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 3ivr s PRO 156 CO 0.36 -2.28 0.99 -2.00 -0.33 0.00 0.00 177.00 173.75 3ivr s GLU 157 N -5.06 4.52 0.14 5.54 2.56 -1.26 -4.97 118.70 120.17 3ivr s GLU 157 Ca 0.64 1.42 -0.24 0.00 0.00 0.00 0.00 54.97 56.78 3ivr s GLU 157 Cb -0.17 -3.48 0.07 0.00 2.00 0.00 0.00 34.13 32.55 3ivr s GLU 157 CO 0.56 -0.13 0.67 -0.59 -0.56 0.00 0.00 175.26 175.21 3ivr s PHE 158 N 1.30 -0.47 0.36 5.30 -0.12 -1.26 -4.97 117.98 118.11 3ivr s PHE 158 Ca 0.51 0.26 0.08 0.00 -0.05 0.00 0.00 56.93 57.73 3ivr s PHE 158 Cb -0.20 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 3ivr s PHE 158 CO 0.25 -0.82 0.30 0.20 -0.05 0.00 0.00 175.22 175.10 3ivr s GLY 159 N -2.71 1.89 0.55 1.99 0.00 -1.26 -4.92 107.32 102.86 3ivr s GLY 159 Ca 0.03 -1.73 0.31 0.00 0.00 0.00 0.00 44.72 43.33 3ivr s GLY 159 CO -0.11 -1.63 2.11 0.00 0.00 0.00 0.00 173.10 173.48 3ivr h ALA 160 N 1.22 1.19 0.00 3.20 0.00 -1.96 -3.04 119.26 119.88 3ivr h ALA 160 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ivr h ALA 160 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ivr h ALA 160 CO 0.59 0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.80 3ivr n ALA 161 N -2.21 2.57 -1.73 0.00 0.00 -1.26 -0.71 120.51 117.16 3ivr n ALA 161 Ca -0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 3ivr n ALA 161 Cb 0.22 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.37 5.48 0.48 0.00 1.01 -1.15 -4.77 116.67 114.35 3ivr s ASP 162 Ca 0.12 2.22 -0.23 0.00 0.71 0.00 0.00 52.55 55.38 3ivr s ASP 162 Cb 0.17 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.44 3ivr s ASP 162 CO 0.58 -1.39 1.15 0.61 0.21 0.00 0.00 175.17 176.34 3ivr n GLY 163 N 0.20 0.20 0.00 0.21 0.00 -1.26 -3.47 105.19 101.07 3ivr n GLY 163 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.73 0.00 -3.76 1.61 7.35 0.07 -4.60 117.46 117.40 3ivr n PHE 164 Ca 0.09 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.65 3ivr n PHE 164 Cb 0.42 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.14 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 -1.38 0.01 -0.19 -2.13 0.11 -0.95 -0.22 120.40 115.64 3ivr s VAL 165 Ca 0.00 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 3ivr s VAL 165 Cb 0.00 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3ivr s VAL 165 CO 0.00 -0.05 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.01 3ivr s ILE 166 N -0.09 3.20 -0.24 7.04 1.01 -0.53 -1.19 121.20 130.39 3ivr s ILE 166 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 3ivr s ILE 166 Cb -0.03 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 40.05 3ivr s ILE 166 CO 0.01 0.46 -0.10 -0.63 0.00 0.00 0.00 174.94 174.69 3ivr s ILE 167 N 1.14 2.60 -0.06 2.92 1.01 -0.55 -4.19 121.20 124.06 3ivr s ILE 167 Ca 0.01 -1.12 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 3ivr s ILE 167 Cb -0.14 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3ivr s ILE 167 CO -0.02 0.22 0.64 -1.00 0.00 0.00 0.00 174.94 174.78 3ivr s HIS 168 N 1.28 3.60 0.03 3.97 3.76 -1.26 -0.94 115.29 125.72 3ivr s HIS 168 Ca -0.01 1.19 0.02 0.00 -0.15 0.00 0.00 55.06 56.11 3ivr s HIS 168 Cb -0.17 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.79 3ivr s HIS 168 CO -0.06 0.17 -0.07 0.95 -0.85 0.00 0.00 174.74 174.88 3ivr s THR 169 N 0.51 0.51 0.30 1.30 -4.23 -0.70 -4.88 115.64 108.45 3ivr s THR 169 Ca 0.34 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.77 3ivr s THR 169 Cb -0.17 -0.53 -0.11 0.00 1.34 0.00 0.00 72.50 73.03 3ivr s THR 169 CO 0.17 -0.20 1.50 0.00 -0.54 0.00 0.00 174.62 175.55 3ivr s ALA 170 N -0.94 3.66 -0.00 3.99 0.00 -1.26 -1.02 121.76 126.19 3ivr s ALA 170 Ca -0.06 1.47 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 3ivr s ALA 170 Cb -0.07 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 3ivr s ALA 170 CO 0.00 -0.89 1.10 0.00 0.00 0.00 0.00 175.76 175.97 3ivr h ALA 171 N 4.48 -0.48 -0.28 0.00 0.00 -1.92 -3.46 119.26 117.60 3ivr h ALA 171 Ca -0.47 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 3ivr h ALA 171 Cb 1.22 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3ivr h ALA 171 CO 0.75 -0.57 -0.31 0.78 0.00 0.00 0.00 179.25 179.91 3ivr h GLY 174 N -0.89 0.64 -5.08 0.00 0.00 -2.07 -3.49 103.07 92.18 3ivr h GLY 174 Ca -0.05 -0.57 -0.57 0.00 0.00 0.00 0.00 47.33 46.14 3ivr h GLY 174 CO 0.08 0.52 0.86 -1.60 0.00 0.00 0.00 176.54 176.40 3ivr s ARG 175 N -4.42 4.25 0.31 4.80 3.52 -1.26 -4.97 118.95 121.18 3ivr s ARG 175 Ca -0.08 1.65 -0.29 0.00 -0.13 0.00 0.00 55.73 56.88 3ivr s ARG 175 Cb 0.13 -3.72 -0.13 0.00 -1.56 0.00 0.00 34.95 29.67 3ivr s ARG 175 CO 0.82 -0.66 1.27 -2.30 -0.81 0.00 0.00 175.30 173.62 3ivr n PRO 176 N 6.35 1.97 -4.45 5.12 -0.02 -1.26 -4.73 135.00 137.98 3ivr n PRO 176 Ca 0.13 0.69 -0.24 0.00 -2.02 0.00 0.00 63.50 62.06 3ivr n PRO 176 Cb 0.45 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 3ivr n PRO 176 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ivr s ARG 177 N -1.45 1.60 -0.35 -0.52 3.52 -0.19 -4.84 118.95 116.72 3ivr s ARG 177 Ca 0.59 -0.36 -0.15 0.00 -0.13 0.00 0.00 55.73 55.67 3ivr s ARG 177 Cb -0.61 -1.38 -0.01 0.00 -1.56 0.00 0.00 34.95 31.39 3ivr s ARG 177 CO 0.59 -0.02 0.36 0.20 -0.81 0.00 0.00 175.30 175.62 3ivr s GLY 178 N 0.83 1.91 -0.25 8.12 0.00 -1.26 -1.71 107.32 114.96 3ivr s GLY 178 Ca -0.12 -1.26 -0.27 0.00 0.00 0.00 0.00 44.72 43.07 3ivr s GLY 178 CO 0.02 1.00 0.97 0.00 0.00 0.00 0.00 173.10 175.09 3ivr s ALA 179 N 2.01 3.65 -0.16 3.20 0.00 -0.12 0.10 121.76 130.44 3ivr s ALA 179 Ca 0.11 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 3ivr s ALA 179 Cb -0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3ivr s ALA 179 CO 0.12 -1.08 0.56 -1.17 0.00 0.00 0.00 175.76 174.19 3ivr s LEU 180 N 3.14 4.21 -0.05 0.00 2.96 -0.60 -1.49 118.68 126.85 3ivr s LEU 180 Ca 0.41 0.82 0.05 0.00 -0.22 0.00 0.00 54.13 55.19 3ivr s LEU 180 Cb -0.15 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.74 3ivr s LEU 180 CO 0.08 -0.14 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.14 3ivr s ILE 181 N 1.30 1.60 0.64 6.68 1.01 -0.34 -1.17 121.20 130.92 3ivr s ILE 181 Ca 0.27 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 3ivr s ILE 181 Cb -0.16 -1.37 0.04 0.00 0.01 0.00 0.00 42.46 40.98 3ivr s ILE 181 CO 0.11 0.46 0.94 -0.94 0.00 0.00 0.00 174.94 175.51 3ivr s SER 182 N 0.05 5.18 0.15 3.58 1.04 -1.26 -0.75 113.70 121.69 3ivr s SER 182 Ca -0.05 0.52 -0.14 0.00 0.48 0.00 0.00 55.95 56.76 3ivr s SER 182 Cb -0.13 -1.34 0.03 0.00 0.10 0.00 0.00 66.02 64.69 3ivr s SER 182 CO 0.03 -1.33 1.73 1.56 0.98 0.00 0.00 173.24 176.21 3ivr h GLN 183 N -0.36 0.71 -0.62 4.02 4.20 -1.57 -2.95 115.11 118.53 3ivr h GLN 183 Ca -0.45 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.15 3ivr h GLN 183 Cb 1.29 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 3ivr h GLN 183 CO 0.60 0.60 0.38 0.78 -0.67 0.00 0.00 178.83 180.52 3ivr h GLY 184 N 0.64 0.89 -0.10 3.46 0.00 -1.23 -0.61 103.07 106.12 3ivr h GLY 184 Ca 0.17 -0.37 0.10 0.00 0.00 0.00 0.00 47.33 47.23 3ivr h GLY 184 CO -0.02 0.36 -0.20 3.43 0.00 0.00 0.00 176.54 180.11 3ivr h ASN 185 N 0.84 -0.69 0.07 0.19 -0.26 -1.73 -1.58 115.58 112.41 3ivr h ASN 185 Ca 0.22 0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 56.13 3ivr h ASN 185 Cb -0.03 0.39 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 3ivr h ASN 185 CO -0.04 -0.23 -0.03 -0.07 -1.06 0.00 0.00 177.43 176.00 3ivr h LEU 186 N -0.09 -0.08 -0.67 1.61 3.38 -1.25 -2.25 115.31 115.97 3ivr h LEU 186 Ca 0.23 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.91 3ivr h LEU 186 Cb 0.45 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 3ivr h LEU 186 CO -0.55 0.35 0.32 -0.07 0.09 0.00 0.00 178.44 178.57 3ivr h LEU 187 N -0.52 0.40 -0.24 1.67 3.38 -1.02 -0.69 115.31 118.29 3ivr h LEU 187 Ca -0.01 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3ivr h LEU 187 Cb 0.45 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ivr h LEU 187 CO 0.02 0.24 -0.60 -0.29 0.09 0.00 0.00 178.44 177.89 3ivr h ILE 188 N 0.55 1.28 -0.64 1.22 2.10 -1.33 -1.74 117.51 118.94 3ivr h ILE 188 Ca 0.33 -1.79 -0.08 0.00 1.08 0.00 0.00 64.86 64.39 3ivr h ILE 188 Cb 0.34 1.76 -0.02 0.00 -1.09 0.00 0.00 36.82 37.80 3ivr h ILE 188 CO -0.26 0.58 0.08 0.00 -1.08 0.00 0.00 178.15 177.46 3ivr h ALA 189 N 0.63 0.86 0.00 0.18 0.00 -1.06 -2.92 119.26 116.95 3ivr h ALA 189 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ivr h ALA 189 Cb 1.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ivr h ALA 189 CO 0.13 0.64 -0.19 1.96 0.00 0.00 0.00 179.25 181.79 3ivr h GLN 190 N 1.00 0.00 -0.33 0.00 4.20 -1.09 -3.15 115.11 115.74 3ivr h GLN 190 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3ivr h GLN 190 Cb 0.47 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3ivr h GLN 190 CO 0.02 0.00 0.19 0.66 -0.67 0.00 0.00 178.83 179.03 3ivr h SER 191 N 0.00 0.39 -0.14 1.46 4.64 -1.11 -1.12 113.55 117.66 3ivr h SER 191 Ca 0.00 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3ivr h SER 191 Cb 0.99 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3ivr h SER 191 CO 0.00 0.31 0.01 0.28 -0.87 0.00 0.00 176.83 176.56 3ivr h SER 192 N 0.45 0.33 -0.04 4.97 0.02 -1.64 -1.18 113.55 116.46 3ivr h SER 192 Ca 0.12 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3ivr h SER 192 Cb -0.00 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.46 3ivr h SER 192 CO -0.02 0.38 -0.41 0.25 -1.14 0.00 0.00 176.83 175.88 3ivr h LEU 193 N 0.35 0.44 -0.47 5.07 5.85 -1.40 0.54 115.31 125.69 3ivr h LEU 193 Ca 0.08 -0.70 0.09 0.00 0.84 0.00 0.00 57.88 58.19 3ivr h LEU 193 Cb 0.22 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3ivr h LEU 193 CO 0.00 1.07 -0.08 0.58 -0.34 0.00 0.00 178.44 179.67 3ivr h VAL 194 N -0.17 0.55 -0.01 1.05 2.07 -1.16 -0.43 116.25 118.16 3ivr h VAL 194 Ca -0.04 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3ivr h VAL 194 Cb 1.10 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3ivr h VAL 194 CO 0.08 0.01 0.00 -0.78 0.02 0.00 0.00 177.57 176.90 3ivr h ASP 195 N 0.03 0.01 -0.31 0.57 3.58 -1.20 -0.51 116.42 118.59 3ivr h ASP 195 Ca 0.23 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 3ivr h ASP 195 Cb 0.35 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3ivr h ASP 195 CO -0.46 0.18 0.02 0.00 -2.88 0.00 0.00 179.24 176.09 3ivr h ALA 196 N 0.84 1.27 -0.54 -0.78 0.00 -0.53 -2.65 119.26 116.87 3ivr h ALA 196 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ivr h ALA 196 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ivr h ALA 196 CO -0.00 0.49 0.00 0.91 0.00 0.00 0.00 179.25 180.65 3ivr n TRP 197 N -4.26 0.72 -3.95 0.00 8.01 -0.20 -4.96 117.44 112.79 3ivr n TRP 197 Ca 0.02 -0.37 -0.29 0.00 -1.31 0.00 0.00 57.50 55.56 3ivr n TRP 197 Cb 0.26 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 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 1.54 -4.32 -2.19 -0.99 5.12 -0.70 -4.89 116.66 110.23 3ivr n ARG 198 Ca 0.21 0.50 -0.42 0.00 -1.93 0.00 0.00 57.85 56.22 3ivr n ARG 198 Cb 0.61 -5.10 -0.03 0.00 -1.16 0.00 0.00 32.46 26.78 3ivr n ARG 198 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ivr s LEU 199 N -7.08 4.39 0.00 0.55 1.43 -0.28 -5.02 118.68 112.66 3ivr s LEU 199 Ca 0.38 2.36 0.03 0.00 -1.03 0.00 0.00 54.13 55.87 3ivr s LEU 199 Cb -0.20 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 3ivr s LEU 199 CO 0.86 -0.60 0.11 0.35 0.23 0.00 0.00 176.35 177.30 3ivr n THR 200 N 3.39 0.00 0.15 5.49 -2.24 -1.26 -4.90 114.28 114.91 3ivr n THR 200 Ca 0.09 -1.93 0.07 0.00 -2.27 0.00 0.00 64.05 60.01 3ivr n THR 200 Cb 0.42 0.66 0.33 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.77 0.08 0.13 -0.78 0.00 -1.10 -2.01 120.64 116.19 3ivr n GLU 201 Ca -0.06 0.54 0.12 0.00 0.00 0.00 0.00 57.16 57.76 3ivr n GLU 201 Cb 0.50 -1.74 0.25 0.00 0.00 0.00 0.00 31.44 30.45 3ivr n GLU 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ivr h ALA 202 N 2.06 0.87 -2.30 -1.84 0.00 -1.89 -3.37 119.26 112.79 3ivr h ALA 202 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3ivr h ALA 202 Cb 0.05 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.90 3ivr h ALA 202 CO 0.00 0.00 0.38 -0.51 0.00 0.00 0.00 179.25 179.12 3ivr s ASP 203 N -5.08 6.00 -0.05 0.00 1.01 -0.85 -4.93 116.67 112.77 3ivr s ASP 203 Ca 0.08 1.67 -0.02 0.00 0.71 0.00 0.00 52.55 54.99 3ivr s ASP 203 Cb 0.10 -2.51 0.04 0.00 1.01 0.00 0.00 42.92 41.55 3ivr s ASP 203 CO 0.66 -1.02 0.10 -0.69 0.21 0.00 0.00 175.17 174.43 3ivr s VAL 204 N -2.67 -0.14 -0.03 -1.27 1.01 -1.26 -2.13 120.40 113.91 3ivr s VAL 204 Ca 0.60 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 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 0.40 0.14 0.34 0.21 0.00 0.00 0.00 175.10 176.19 3ivr s ASN 205 N 1.88 6.69 -0.52 3.32 2.47 -0.24 -1.09 114.94 127.45 3ivr s ASN 205 Ca 0.00 0.83 -0.15 0.00 0.42 0.00 0.00 52.86 53.96 3ivr s ASN 205 Cb -0.12 -2.20 0.12 0.00 -1.45 0.00 0.00 41.25 37.60 3ivr s ASN 205 CO -0.04 0.34 0.47 -0.22 -3.72 0.00 0.00 177.10 173.93 3ivr s LEU 206 N -1.03 6.07 -0.95 3.21 2.96 -0.84 -0.05 118.68 128.05 3ivr s LEU 206 Ca 0.21 -1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 52.17 3ivr s LEU 206 Cb -0.15 -2.19 0.09 0.00 0.50 0.00 0.00 46.19 44.44 3ivr s LEU 206 CO 0.11 -0.82 1.25 -0.83 -1.32 0.00 0.00 176.35 174.74 3ivr s GLY 207 N 3.39 1.60 0.00 7.98 0.00 0.44 -4.52 107.32 116.21 3ivr s GLY 207 Ca 0.03 -2.47 0.22 0.00 0.00 0.00 0.00 44.72 42.50 3ivr s GLY 207 CO 0.03 2.31 0.69 1.15 0.00 0.00 0.00 173.10 177.28 3ivr n MET 208 N 7.64 0.44 -2.99 2.90 0.00 -1.26 -3.57 117.12 120.28 3ivr n MET 208 Ca 0.26 -0.11 -0.32 0.00 0.00 0.00 0.00 57.70 57.53 3ivr n MET 208 Cb 0.50 -1.54 -0.06 0.00 0.00 0.00 0.00 33.22 32.12 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 -4.10 3.98 0.36 3.17 1.43 -1.26 -4.70 118.68 117.56 3ivr s LEU 209 Ca -0.02 1.39 -0.28 0.00 -1.03 0.00 0.00 54.13 54.18 3ivr s LEU 209 Cb 0.14 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 3ivr s LEU 209 CO 0.88 -0.29 1.43 -2.16 0.23 0.00 0.00 176.35 176.44 3ivr s PRO 210 N -3.18 4.19 0.09 1.29 0.04 -1.26 -4.75 135.00 131.42 3ivr s PRO 210 Ca 0.56 2.46 0.16 0.00 0.04 0.00 0.00 61.00 64.22 3ivr s PRO 210 Cb -0.10 -3.01 0.70 0.00 0.04 0.00 0.00 34.50 32.14 3ivr s PRO 210 CO 0.18 -0.43 1.51 1.28 0.04 0.00 0.00 177.00 179.59 3ivr n LEU 211 N 0.67 0.22 0.20 -3.56 4.77 -1.26 -1.92 117.00 116.13 3ivr n LEU 211 Ca 0.01 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.69 3ivr n LEU 211 Cb 0.40 -0.54 0.41 0.00 -2.33 0.00 0.00 43.42 41.36 3ivr n LEU 211 CO 0.62 -0.39 0.88 2.19 -1.33 0.00 0.00 177.39 179.36 3ivr h PHE 212 N 0.00 0.00 -3.32 -1.77 -5.15 -1.90 -3.36 116.94 101.44 3ivr h PHE 212 Ca 0.00 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.21 3ivr h PHE 212 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.39 3ivr h PHE 212 CO 0.00 0.00 -0.06 -1.58 -2.00 0.00 0.00 178.31 174.67 3ivr s HIS 213 N -3.33 3.66 0.32 6.09 2.46 -0.81 -4.88 115.29 118.79 3ivr s HIS 213 Ca 0.06 1.14 0.02 0.00 0.47 0.00 0.00 55.06 56.74 3ivr s HIS 213 Cb 0.08 -2.42 0.58 0.00 -0.13 0.00 0.00 32.58 30.69 3ivr s HIS 213 CO 0.58 0.46 1.93 -0.24 -2.47 0.00 0.00 174.74 175.00 3ivr h VAL 214 N 2.98 1.07 -0.18 0.89 3.04 -1.87 -1.01 116.25 121.17 3ivr h VAL 214 Ca -0.49 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 64.83 3ivr h VAL 214 Cb 1.20 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 3ivr h VAL 214 CO 0.65 0.18 -0.05 0.74 -1.01 0.00 0.00 177.57 178.08 3ivr h THR 215 N 0.96 1.29 -0.13 3.17 2.02 -1.94 0.21 112.91 118.50 3ivr h THR 215 Ca 0.36 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3ivr h THR 215 Cb 0.18 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3ivr h THR 215 CO -0.13 0.31 0.08 1.23 0.37 0.00 0.00 175.52 177.38 3ivr h GLY 216 N 0.07 0.19 1.05 2.16 0.00 -1.62 -1.14 103.07 103.77 3ivr h GLY 216 Ca 0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3ivr h GLY 216 CO 0.02 0.08 -0.23 -2.00 0.00 0.00 0.00 176.54 174.41 3ivr h LEU 217 N 0.14 0.90 -0.30 3.11 5.85 -1.22 -2.86 115.31 120.92 3ivr h LEU 217 Ca 0.05 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.36 3ivr h LEU 217 Cb 0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3ivr h LEU 217 CO -0.01 1.12 0.20 1.23 -0.34 0.00 0.00 178.44 180.64 3ivr h GLY 218 N 0.68 0.43 1.01 3.75 0.00 -0.52 -1.42 103.07 107.00 3ivr h GLY 218 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3ivr h GLY 218 CO 0.07 0.15 0.47 1.41 0.00 0.00 0.00 176.54 178.64 3ivr h LEU 219 N 0.40 0.89 -0.36 3.11 -0.00 -1.23 0.11 115.31 118.23 3ivr h LEU 219 Ca 0.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 3ivr h LEU 219 Cb -0.04 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.38 3ivr h LEU 219 CO -0.03 0.67 0.18 -0.03 -0.00 0.00 0.00 178.44 179.23 3ivr h MET 220 N 1.03 0.51 -0.35 1.13 4.05 -1.26 -2.20 114.93 117.84 3ivr h MET 220 Ca 0.27 -0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.50 3ivr h MET 220 Cb -0.07 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3ivr h MET 220 CO -0.05 0.45 -0.29 -0.07 0.23 0.00 0.00 176.91 177.18 3ivr h LEU 221 N 0.44 0.77 0.01 3.39 3.38 -1.04 -1.47 115.31 120.79 3ivr h LEU 221 Ca 0.12 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3ivr h LEU 221 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3ivr h LEU 221 CO -0.02 1.01 -0.15 0.74 0.09 0.00 0.00 178.44 180.11 3ivr h THR 222 N 0.64 0.63 -0.39 0.22 2.02 -0.71 0.26 112.91 115.58 3ivr h THR 222 Ca 0.08 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 3ivr h THR 222 Cb 0.81 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3ivr h THR 222 CO 0.07 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.86 3ivr h LEU 223 N -0.26 0.61 -0.72 2.58 -0.00 -1.33 -2.21 115.31 113.98 3ivr h LEU 223 Ca 0.05 -0.14 -0.09 0.00 -0.00 0.00 0.00 57.88 57.70 3ivr h LEU 223 Cb 0.32 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 3ivr h LEU 223 CO -0.14 0.70 0.00 -0.61 -0.00 0.00 0.00 178.44 178.39 3ivr h GLN 224 N 0.60 0.98 0.00 1.13 4.15 -1.00 0.42 115.11 121.40 3ivr h GLN 224 Ca 0.12 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 3ivr h GLN 224 Cb 0.42 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3ivr h GLN 224 CO 0.02 0.96 -0.17 -0.56 -1.93 0.00 0.00 178.83 177.15 3ivr h GLN 225 N 0.90 0.00 -0.00 1.69 3.07 -0.01 -2.03 115.11 118.73 3ivr h GLN 225 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 3ivr h GLN 225 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 3ivr h GLN 225 CO 0.03 0.17 -0.13 0.00 0.09 0.00 0.00 178.83 178.98 3ivr n ALA 226 N -2.21 2.69 -0.80 0.06 0.00 -0.87 -4.91 120.51 114.47 3ivr n ALA 226 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3ivr n ALA 226 Cb 0.38 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.59 0.00 0.00 0.00 -0.76 -2.72 105.19 103.75 3ivr n GLY 227 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.80 -0.29 3.22 -0.02 0.00 0.14 -4.46 105.19 100.97 3ivr n GLY 228 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.58 1.33 -0.03 4.61 0.00 -0.90 -4.43 121.76 118.77 3ivr s ALA 229 Ca 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.73 3ivr s ALA 229 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3ivr s ALA 229 CO 0.00 0.00 -0.22 -1.12 0.00 0.00 0.00 175.76 174.42 3ivr s SER 230 N -2.61 2.63 -0.31 0.00 0.01 -0.69 -1.08 113.70 111.64 3ivr s SER 230 Ca 0.09 -0.41 -0.13 0.00 1.31 0.00 0.00 55.95 56.81 3ivr s SER 230 Cb -0.02 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 3ivr s SER 230 CO 0.01 0.26 0.25 -0.69 0.41 0.00 0.00 173.24 173.48 3ivr s VAL 231 N -0.41 5.27 -0.06 3.43 1.01 0.92 -0.81 120.40 129.75 3ivr s VAL 231 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.11 3ivr s VAL 231 Cb -0.10 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3ivr s VAL 231 CO 0.00 0.09 -0.21 -0.63 0.00 0.00 0.00 175.10 174.36 3ivr s ILE 232 N 1.80 1.73 0.04 2.22 1.01 0.11 -0.42 121.20 127.69 3ivr s ILE 232 Ca 0.08 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.93 3ivr s ILE 232 Cb -0.17 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3ivr s ILE 232 CO 0.11 0.49 -0.19 0.00 0.00 0.00 0.00 174.94 175.34 3ivr s ALA 233 N 0.12 1.64 0.20 9.38 0.00 -1.23 -2.40 121.76 129.47 3ivr s ALA 233 Ca -0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 3ivr s ALA 233 Cb -0.14 -0.32 0.26 0.00 0.00 0.00 0.00 23.12 22.92 3ivr s ALA 233 CO 0.04 0.36 1.74 0.00 0.00 0.00 0.00 175.76 177.91 3ivr h ALA 234 N 4.94 0.74 -2.59 0.00 0.00 -1.94 -3.43 119.26 116.99 3ivr h ALA 234 Ca -0.41 0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.32 3ivr h ALA 234 Cb 1.16 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 3ivr h ALA 234 CO 0.44 -0.21 -0.71 0.21 0.00 0.00 0.00 179.25 178.98 3ivr s LYS 235 N -6.10 0.76 -0.18 0.00 2.20 -1.26 -4.38 119.74 110.78 3ivr s LYS 235 Ca -0.13 -1.14 -0.29 0.00 -0.36 0.00 0.00 55.97 54.05 3ivr s LYS 235 Cb 0.17 -0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 3ivr s LYS 235 CO 0.74 0.02 1.03 0.12 -0.36 0.00 0.00 175.35 176.90 3ivr s PHE 236 N -2.77 3.40 -0.17 4.03 5.36 -1.26 -5.03 117.98 121.54 3ivr s PHE 236 Ca 0.05 1.51 -0.01 0.00 -0.96 0.00 0.00 56.93 57.52 3ivr s PHE 236 Cb -0.01 -3.24 0.05 0.00 -0.34 0.00 0.00 43.02 39.48 3ivr s PHE 236 CO -0.02 -0.40 -0.02 0.34 -1.46 0.00 0.00 175.22 173.65 3ivr s ASP 237 N 1.17 2.83 0.27 6.13 2.15 -1.26 -5.05 116.67 122.92 3ivr s ASP 237 Ca 0.46 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.74 3ivr s ASP 237 Cb -0.16 -0.80 0.55 0.00 -0.30 0.00 0.00 42.92 42.20 3ivr s ASP 237 CO 0.11 -0.23 1.79 -0.65 -0.17 0.00 0.00 175.17 176.03 3ivr h PRO 238 N 8.16 0.76 -0.39 4.34 0.11 -1.93 0.17 132.00 143.21 3ivr h PRO 238 Ca -0.21 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.73 3ivr h PRO 238 Cb 1.11 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3ivr h PRO 238 CO 0.37 0.50 -0.27 0.00 -0.21 0.00 0.00 178.00 178.39 3ivr h ALA 239 N 1.55 0.56 -0.61 -0.75 0.00 -1.89 -2.14 119.26 115.98 3ivr h ALA 239 Ca 0.48 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ivr h ALA 239 Cb 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ivr h ALA 239 CO -0.32 0.58 0.05 0.37 0.00 0.00 0.00 179.25 179.93 3ivr h GLN 240 N 0.69 1.02 -0.58 0.00 5.75 -1.74 -2.58 115.11 117.68 3ivr h GLN 240 Ca 0.08 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 3ivr h GLN 240 Cb 0.84 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 3ivr h GLN 240 CO 0.07 0.97 0.38 0.00 -2.65 0.00 0.00 178.83 177.60 3ivr h ALA 241 N 1.10 0.73 -0.37 3.38 0.00 -0.59 0.89 119.26 124.41 3ivr h ALA 241 Ca 0.18 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ivr h ALA 241 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ivr h ALA 241 CO 0.02 0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.64 3ivr h ALA 242 N 1.21 0.46 -0.74 0.00 0.00 -1.33 1.00 119.26 119.86 3ivr h ALA 242 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ivr h ALA 242 Cb -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3ivr h ALA 242 CO -0.05 -0.13 0.48 0.00 0.00 0.00 0.00 179.25 179.55 3ivr h ARG 243 N 0.44 0.92 -0.48 0.00 3.08 -1.05 -2.57 114.38 114.72 3ivr h ARG 243 Ca 0.15 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3ivr h ARG 243 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3ivr h ARG 243 CO -0.07 0.61 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.79 3ivr h ASP 244 N 0.95 1.02 -0.55 7.04 3.32 -0.48 0.15 116.42 127.88 3ivr h ASP 244 Ca 0.28 -0.39 0.03 0.00 0.02 0.00 0.00 57.03 56.97 3ivr h ASP 244 Cb -0.04 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 3ivr h ASP 244 CO -0.09 1.19 0.32 0.40 -1.72 0.00 0.00 179.24 179.34 3ivr h ILE 245 N 0.85 1.04 0.19 0.35 2.04 -0.70 0.97 117.51 122.25 3ivr h ILE 245 Ca 0.11 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3ivr h ILE 245 Cb 0.79 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3ivr h ILE 245 CO 0.07 0.12 -0.09 -0.08 0.00 0.00 0.00 178.15 178.16 3ivr h GLU 246 N 0.63 -0.25 -0.83 2.37 4.81 -1.30 -1.76 114.58 118.25 3ivr h GLU 246 Ca 0.22 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3ivr h GLU 246 Cb 0.04 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3ivr h GLU 246 CO -0.11 0.11 0.43 0.00 -0.73 0.00 0.00 179.01 178.71 3ivr h ALA 247 N 0.03 1.07 -0.16 2.92 0.00 -0.57 -3.15 119.26 119.39 3ivr h ALA 247 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ivr h ALA 247 Cb 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ivr h ALA 247 CO 0.04 0.60 0.00 0.72 0.00 0.00 0.00 179.25 180.61 3ivr n HIS 248 N -4.36 0.19 -3.55 0.00 8.25 0.32 -4.99 115.22 111.08 3ivr n HIS 248 Ca 0.08 -0.11 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 3ivr n HIS 248 Cb 0.11 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.27 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 1.22 -3.05 -1.87 -0.41 4.76 -0.72 -4.89 118.16 113.21 3ivr n LYS 249 Ca 0.14 0.65 -0.42 0.00 -2.87 0.00 0.00 58.31 55.81 3ivr n LYS 249 Cb 0.53 -5.07 -0.03 0.00 -1.84 0.00 0.00 35.03 28.62 3ivr n LYS 249 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ivr s VAL 250 N -3.51 2.93 -0.18 -0.18 1.01 -0.86 -4.57 120.40 115.04 3ivr s VAL 250 Ca 0.29 0.37 0.17 0.00 0.00 0.00 0.00 61.98 62.80 3ivr s VAL 250 Cb -0.07 -3.24 -0.24 0.00 0.00 0.00 0.00 36.38 32.83 3ivr s VAL 250 CO 0.80 -0.00 0.14 0.35 0.00 0.00 0.00 175.10 176.39 3ivr n THR 251 N 4.78 1.43 -4.01 3.92 -2.24 -0.25 -2.65 114.28 115.26 3ivr n THR 251 Ca 0.16 -0.84 -0.08 0.00 -2.27 0.00 0.00 64.05 61.02 3ivr n THR 251 Cb 0.40 -0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.51 0.14 -0.05 2.28 -7.23 -0.82 -0.18 120.40 112.04 3ivr s VAL 252 Ca -0.10 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 3ivr s VAL 252 Cb 0.06 -0.63 0.08 0.00 0.56 0.00 0.00 36.38 36.45 3ivr s VAL 252 CO 0.82 -0.64 0.71 0.00 -0.31 0.00 0.00 175.10 175.68 3ivr s MET 253 N -2.18 1.02 0.12 4.82 0.23 -1.02 -1.98 119.30 120.31 3ivr s MET 253 Ca -0.09 0.21 0.03 0.00 -1.03 0.00 0.00 55.69 54.81 3ivr s MET 253 Cb -0.05 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 3ivr s MET 253 CO -0.04 -0.33 0.16 0.00 -2.03 0.00 0.00 175.02 172.78 3ivr s ALA 254 N -1.33 3.71 -0.12 3.16 0.00 -1.26 -2.21 121.76 123.72 3ivr s ALA 254 Ca -0.09 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 3ivr s ALA 254 Cb -0.00 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.63 3ivr s ALA 254 CO 0.08 0.64 0.45 -2.00 0.00 0.00 0.00 175.76 174.93 3ivr s GLU 255 N -2.81 0.64 -0.11 0.00 -6.30 -0.38 -4.72 118.70 105.02 3ivr s GLU 255 Ca 0.32 0.39 0.02 0.00 -2.50 0.00 0.00 54.97 53.19 3ivr s GLU 255 Cb -0.11 0.30 -0.01 0.00 0.00 0.00 0.00 34.13 34.31 3ivr s GLU 255 CO 0.25 -0.13 -0.18 -0.06 0.02 0.00 0.00 175.26 175.15 3ivr s PHE 256 N -0.33 2.68 0.17 5.30 0.08 -1.26 -2.11 117.98 122.50 3ivr s PHE 256 Ca -0.05 -0.78 -0.32 0.00 0.12 0.00 0.00 56.93 55.89 3ivr s PHE 256 Cb -0.03 -1.76 -0.16 0.00 -0.57 0.00 0.00 43.02 40.49 3ivr s PHE 256 CO 0.03 -0.27 0.98 0.00 -0.10 0.00 0.00 175.22 175.86 3ivr n ALA 257 N 3.41 -1.65 -1.03 5.36 0.00 -0.29 -1.60 120.51 124.71 3ivr n ALA 257 Ca -0.18 0.47 -0.20 0.00 0.00 0.00 0.00 53.44 53.53 3ivr n ALA 257 Cb 0.53 -1.89 0.18 0.00 0.00 0.00 0.00 19.45 18.27 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 1.41 2.37 -0.10 0.00 -0.04 -1.26 -5.02 135.00 132.37 3ivr n PRO 258 Ca 0.16 -2.79 -0.09 0.00 -0.04 0.00 0.00 63.50 60.74 3ivr n PRO 258 Cb 0.23 -2.10 -0.01 0.00 -0.04 0.00 0.00 33.50 31.57 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 1.17 0.45 -0.26 0.54 2.86 -1.70 -1.59 114.93 116.40 3ivr h MET 259 Ca 0.54 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.97 3ivr h MET 259 Cb 2.66 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 34.23 3ivr h MET 259 CO 0.98 0.34 -0.51 1.25 1.06 0.00 0.00 176.91 180.03 3ivr h LEU 260 N 0.43 0.90 -0.58 1.22 5.85 -1.95 -1.41 115.31 119.76 3ivr h LEU 260 Ca 0.12 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.38 3ivr h LEU 260 Cb 0.01 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 3ivr h LEU 260 CO -0.02 1.27 0.24 1.23 -0.34 0.00 0.00 178.44 180.81 3ivr h GLY 261 N 0.56 0.82 1.59 3.75 0.00 -1.91 -0.14 103.07 107.73 3ivr h GLY 261 Ca 0.01 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3ivr h GLY 261 CO 0.11 0.02 -0.49 3.43 0.00 0.00 0.00 176.54 179.61 3ivr h ASN 262 N 0.43 0.48 -0.33 0.19 -0.26 -1.14 -1.90 115.58 113.06 3ivr h ASN 262 Ca 0.29 -0.24 -0.03 0.00 -0.56 0.00 0.00 56.30 55.76 3ivr h ASN 262 Cb 0.32 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3ivr h ASN 262 CO -0.27 0.90 0.09 0.40 -1.06 0.00 0.00 177.43 177.49 3ivr h ILE 263 N 0.35 1.22 -1.00 2.81 2.04 -0.95 -2.84 117.51 119.13 3ivr h ILE 263 Ca 0.02 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3ivr h ILE 263 Cb 0.99 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 3ivr h ILE 263 CO 0.09 0.24 0.66 -0.07 0.00 0.00 0.00 178.15 179.07 3ivr h LEU 264 N 0.38 1.16 -1.09 1.44 3.38 -0.82 0.50 115.31 120.27 3ivr h LEU 264 Ca 0.10 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.18 3ivr h LEU 264 Cb 0.28 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3ivr h LEU 264 CO -0.00 0.84 0.61 0.44 0.09 0.00 0.00 178.44 180.43 3ivr h ASP 265 N 1.36 0.84 -0.01 -0.43 3.32 -1.31 -3.18 116.42 117.01 3ivr h ASP 265 Ca 0.37 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3ivr h ASP 265 Cb -0.15 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3ivr h ASP 265 CO -0.08 0.42 -0.64 0.00 -1.72 0.00 0.00 179.24 177.22 3ivr n GLN 266 N -4.62 0.86 -4.25 3.56 1.13 -0.26 -4.93 117.38 108.87 3ivr n GLN 266 Ca 0.19 -0.66 -0.35 0.00 -1.94 0.00 0.00 57.00 54.24 3ivr n GLN 266 Cb 0.41 -1.47 -0.09 0.00 0.11 0.00 0.00 30.24 29.20 3ivr n GLN 266 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ivr s ALA 267 N -2.62 3.34 0.13 -1.58 0.00 0.01 -4.87 121.76 116.17 3ivr s ALA 267 Ca 0.15 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.02 3ivr s ALA 267 Cb 0.17 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 3ivr s ALA 267 CO 0.66 0.47 1.44 0.00 0.00 0.00 0.00 175.76 178.33 3ivr s ALA 268 N -0.52 3.65 0.41 0.00 0.00 -1.26 -4.90 121.76 119.14 3ivr s ALA 268 Ca 0.09 1.19 0.32 0.00 0.00 0.00 0.00 51.96 53.57 3ivr s ALA 268 Cb -0.12 -3.56 1.38 0.00 0.00 0.00 0.00 23.12 20.82 3ivr s ALA 268 CO 0.02 -0.66 1.39 -2.30 0.00 0.00 0.00 175.76 174.21 3ivr n PRO 269 N 3.94 -0.03 0.11 0.00 -0.02 -1.26 0.11 135.00 137.86 3ivr n PRO 269 Ca 0.12 1.09 0.02 0.00 -2.02 0.00 0.00 63.50 62.71 3ivr n PRO 269 Cb 0.41 -2.21 0.36 0.00 -0.02 0.00 0.00 33.50 32.04 3ivr n PRO 269 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ivr h ALA 270 N 1.31 1.44 0.00 3.55 0.00 -1.95 -2.90 119.26 120.70 3ivr h ALA 270 Ca 0.80 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 3ivr h ALA 270 Cb 2.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.41 3ivr h ALA 270 CO -0.33 0.40 -0.13 1.96 0.00 0.00 0.00 179.25 181.15 3ivr h GLN 271 N 0.22 0.00 -0.68 0.00 4.20 -0.69 -3.22 115.11 114.94 3ivr h GLN 271 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3ivr h GLN 271 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3ivr h GLN 271 CO 0.03 0.13 0.00 1.28 -0.67 0.00 0.00 178.83 179.59 3ivr n LEU 272 N -3.29 4.36 0.00 1.46 4.77 -1.10 -2.95 117.00 120.27 3ivr n LEU 272 Ca 0.00 -2.19 0.01 0.00 -0.03 0.00 0.00 56.01 53.79 3ivr n LEU 272 Cb 0.37 -0.54 0.32 0.00 -2.33 0.00 0.00 43.42 41.24 3ivr n LEU 272 CO 0.31 0.85 0.98 0.00 -1.33 0.00 0.00 177.39 178.19 3ivr h ALA 273 N 4.19 1.44 0.00 -1.18 0.00 -1.65 -2.69 119.26 119.37 3ivr h ALA 273 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ivr h ALA 273 Cb 1.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ivr h ALA 273 CO 0.15 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.46 3ivr h SER 274 N 0.50 0.00 -2.81 0.00 4.64 -1.82 -3.45 113.55 110.60 3ivr h SER 274 Ca 0.11 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.90 3ivr h SER 274 Cb 0.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3ivr h SER 274 CO 0.00 0.00 0.89 -0.76 -0.87 0.00 0.00 176.83 176.09 3ivr s LEU 275 N -5.40 4.36 0.00 5.97 1.43 -1.02 -4.23 118.68 119.80 3ivr s LEU 275 Ca 0.04 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3ivr s LEU 275 Cb 0.09 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3ivr s LEU 275 CO 0.50 -0.81 0.00 -2.11 0.23 0.00 0.00 176.35 174.17 3ivr n ARG 276 N 4.68 2.18 -3.70 1.70 1.85 0.75 -4.25 116.66 119.86 3ivr n ARG 276 Ca 0.14 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.88 3ivr n ARG 276 Cb 0.40 -0.81 -0.12 0.00 -1.05 0.00 0.00 32.46 30.89 3ivr n ARG 276 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ivr s ALA 277 N -1.55 -0.88 0.01 2.89 0.00 -0.96 -1.21 121.76 120.06 3ivr s ALA 277 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.31 3ivr s ALA 277 Cb 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3ivr s ALA 277 CO 0.00 -0.30 -0.06 0.08 0.00 0.00 0.00 175.76 175.48 3ivr s VAL 278 N 1.50 0.48 0.27 0.00 1.01 -0.30 -2.43 120.40 120.93 3ivr s VAL 278 Ca -0.08 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3ivr s VAL 278 Cb -0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3ivr s VAL 278 CO -0.11 0.03 0.23 0.28 0.00 0.00 0.00 175.10 175.52 3ivr s THR 279 N -0.38 0.00 -4.62 3.92 -1.32 -0.94 -0.02 115.64 112.28 3ivr s THR 279 Ca -0.00 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 3ivr s THR 279 Cb -0.04 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 3ivr s THR 279 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3ivr n GLY 280 N -0.47 0.79 3.26 6.08 0.00 -1.26 -1.25 105.19 112.34 3ivr n GLY 280 Ca 0.05 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 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 2.56 0.17 0.99 1.43 -0.90 -4.66 118.68 118.27 3ivr s LEU 281 Ca 0.00 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 3ivr s LEU 281 Cb 0.00 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.64 3ivr s LEU 281 CO 0.00 0.04 0.46 -0.62 0.23 0.00 0.00 176.35 176.46 3ivr s ASP 282 N 1.07 -0.21 0.46 2.29 -1.08 -1.26 -1.13 116.67 116.81 3ivr s ASP 282 Ca -0.00 -0.49 -0.21 0.00 -0.52 0.00 0.00 52.55 51.32 3ivr s ASP 282 Cb -0.15 0.53 -0.09 0.00 -1.46 0.00 0.00 42.92 41.76 3ivr s ASP 282 CO -0.03 -0.98 1.03 0.42 0.52 0.00 0.00 175.17 176.13 3ivr s THR 283 N -3.87 3.86 0.41 1.71 -4.23 -1.26 -4.92 115.64 107.34 3ivr s THR 283 Ca 0.09 1.21 0.17 0.00 -1.18 0.00 0.00 61.69 61.98 3ivr s THR 283 Cb 0.00 -3.52 0.37 0.00 1.34 0.00 0.00 72.50 70.70 3ivr s THR 283 CO -0.05 -0.20 1.85 -0.65 -0.54 0.00 0.00 174.62 175.04 3ivr h PRO 284 N 1.81 0.42 0.25 3.99 0.11 -2.02 -1.98 132.00 134.58 3ivr h PRO 284 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3ivr h PRO 284 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ivr h PRO 284 CO 0.60 0.28 -0.14 1.49 -0.21 0.00 0.00 178.00 180.01 3ivr h GLU 285 N 0.43 -0.36 -0.31 1.05 4.81 -1.99 -2.02 114.58 116.19 3ivr h GLU 285 Ca 0.48 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.59 3ivr h GLU 285 Cb 1.15 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3ivr h GLU 285 CO -0.19 -0.24 -0.36 1.15 -0.73 0.00 0.00 179.01 178.64 3ivr h THR 286 N -0.37 1.29 0.26 0.32 2.02 -1.86 -0.88 112.91 113.69 3ivr h THR 286 Ca -0.03 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 3ivr h THR 286 Cb 0.30 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3ivr h THR 286 CO 0.04 0.49 -0.13 0.40 0.37 0.00 0.00 175.52 176.69 3ivr h ILE 287 N 0.58 0.76 -0.77 3.11 2.04 -1.34 0.16 117.51 122.06 3ivr h ILE 287 Ca 0.06 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3ivr h ILE 287 Cb 0.89 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3ivr h ILE 287 CO 0.08 0.03 0.39 -0.33 0.00 0.00 0.00 178.15 178.32 3ivr h GLU 288 N -0.43 1.09 -0.45 2.37 5.08 -1.37 0.19 114.58 121.06 3ivr h GLU 288 Ca -0.04 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3ivr h GLU 288 Cb 0.32 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 3ivr h GLU 288 CO 0.06 0.83 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.80 3ivr h ARG 289 N 1.07 0.09 -0.42 2.33 2.43 -0.96 0.46 114.38 119.39 3ivr h ARG 289 Ca 0.27 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3ivr h ARG 289 Cb 0.08 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3ivr h ARG 289 CO -0.04 0.06 0.16 0.35 -1.51 0.00 0.00 179.97 178.99 3ivr h PHE 290 N 0.10 0.65 -0.16 2.20 3.57 0.21 -1.16 116.94 122.34 3ivr h PHE 290 Ca 0.22 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 3ivr h PHE 290 Cb 0.33 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3ivr h PHE 290 CO -0.30 0.58 -0.44 0.93 -2.23 0.00 0.00 178.31 176.85 3ivr h GLU 291 N 0.54 0.38 -0.38 1.11 5.08 -0.78 0.67 114.58 121.19 3ivr h GLU 291 Ca 0.14 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3ivr h GLU 291 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3ivr h GLU 291 CO -0.01 0.75 0.14 0.00 -1.00 0.00 0.00 179.01 178.89 3ivr h ALA 292 N 1.22 0.50 -0.26 3.43 0.00 -0.78 -3.22 119.26 120.15 3ivr h ALA 292 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3ivr h ALA 292 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ivr h ALA 292 CO 0.07 0.12 0.05 1.15 0.00 0.00 0.00 179.25 180.65 3ivr h THR 293 N 0.47 1.22 -3.51 0.00 2.02 -0.94 -3.38 112.91 108.79 3ivr h THR 293 Ca 0.13 -0.74 -0.69 0.00 0.77 0.00 0.00 66.41 65.88 3ivr h THR 293 Cb 0.21 1.20 -0.35 0.00 -1.74 0.00 0.00 68.15 67.47 3ivr h THR 293 CO -0.01 0.24 -0.47 0.00 0.37 0.00 0.00 175.52 175.65 3ivr h PRO 295 N 7.47 0.00 -0.62 0.00 0.13 -1.75 -2.76 132.00 134.47 3ivr h PRO 295 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3ivr h PRO 295 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3ivr h PRO 295 CO 0.70 0.25 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 3ivr n ASN 296 N -3.80 3.14 -4.46 1.44 5.03 -1.26 -4.92 115.26 110.42 3ivr n ASN 296 Ca -0.02 -2.31 -0.27 0.00 0.87 0.00 0.00 54.58 52.86 3ivr n ASN 296 Cb 0.34 -0.47 -0.11 0.00 -1.02 0.00 0.00 39.78 38.52 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 -1.77 2.64 -0.07 5.41 0.00 -1.04 -4.60 121.76 122.34 3ivr s ALA 297 Ca 0.31 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.70 3ivr s ALA 297 Cb 0.20 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3ivr s ALA 297 CO 0.14 0.44 -0.13 0.99 0.00 0.00 0.00 175.76 177.20 3ivr s THR 298 N -1.66 1.18 -0.03 0.00 2.01 -0.35 -4.88 115.64 111.91 3ivr s THR 298 Ca 0.22 -0.50 -0.22 0.00 0.31 0.00 0.00 61.69 61.50 3ivr s THR 298 Cb -0.08 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3ivr s THR 298 CO 0.11 0.37 0.63 0.12 -0.69 0.00 0.00 174.62 175.16 3ivr s PHE 299 N 0.68 3.63 -0.23 4.92 5.36 -1.26 -1.15 117.98 129.93 3ivr s PHE 299 Ca -0.14 1.20 -0.06 0.00 -0.96 0.00 0.00 56.93 56.97 3ivr s PHE 299 Cb -0.16 -2.68 -0.02 0.00 -0.34 0.00 0.00 43.02 39.82 3ivr s PHE 299 CO 0.04 0.24 0.02 -1.58 -1.46 0.00 0.00 175.22 172.47 3ivr s TRP 300 N 0.25 3.04 0.46 10.12 0.52 0.97 -0.42 118.94 133.88 3ivr s TRP 300 Ca 0.33 -0.59 -0.23 0.00 0.02 0.00 0.00 56.10 55.64 3ivr s TRP 300 Cb -0.18 -2.16 -0.07 0.00 -1.15 0.00 0.00 33.47 29.91 3ivr s TRP 300 CO 0.17 -0.39 1.20 0.00 0.02 0.00 0.00 176.95 177.95 3ivr s ALA 301 N 1.42 2.99 -0.06 0.98 0.00 0.91 -4.18 121.76 123.83 3ivr s ALA 301 Ca 0.05 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 3ivr s ALA 301 Cb -0.15 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.61 3ivr s ALA 301 CO 0.01 -0.75 0.54 -0.08 0.00 0.00 0.00 175.76 175.48 3ivr s THR 302 N -1.48 0.02 -0.03 0.00 -1.32 -1.15 -2.08 115.64 109.60 3ivr s THR 302 Ca 0.64 -0.16 0.03 0.00 -1.21 0.00 0.00 61.69 60.98 3ivr s THR 302 Cb -0.31 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 3ivr s THR 302 CO 0.38 -0.09 -0.10 0.12 -2.21 0.00 0.00 174.62 172.72 3ivr s PHE 303 N -1.06 1.01 0.17 9.09 5.36 -1.00 -4.78 117.98 126.77 3ivr s PHE 303 Ca -0.11 -0.25 -0.22 0.00 -0.96 0.00 0.00 56.93 55.39 3ivr s PHE 303 Cb -0.02 -0.71 0.08 0.00 -0.34 0.00 0.00 43.02 42.02 3ivr s PHE 303 CO 0.07 -0.10 1.03 0.41 -1.46 0.00 0.00 175.22 175.16 3ivr n GLY 304 N 3.26 0.58 3.74 13.12 0.00 -1.26 -0.45 105.19 124.18 3ivr n GLY 304 Ca -0.18 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3ivr n GLY 304 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ivr s GLN 305 N -2.05 1.82 0.22 1.61 -2.07 -1.04 -4.91 119.66 113.24 3ivr s GLN 305 Ca 0.23 -1.22 -0.08 0.00 -1.82 0.00 0.00 55.36 52.47 3ivr s GLN 305 Cb -0.03 0.56 0.30 0.00 -1.09 0.00 0.00 33.01 32.75 3ivr s GLN 305 CO 0.05 -0.81 1.79 0.77 -1.32 0.00 0.00 175.29 175.76 3ivr h SER 306 N 2.08 0.47 0.40 12.60 0.02 -1.95 -0.96 113.55 126.21 3ivr h SER 306 Ca -0.24 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3ivr h SER 306 Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3ivr h SER 306 CO 0.31 0.28 0.00 -0.62 -1.14 0.00 0.00 176.83 175.67 3ivr n GLU 307 N -4.85 0.10 -0.61 3.45 4.71 -1.26 -1.80 120.64 120.38 3ivr n GLU 307 Ca 0.10 0.43 0.02 0.00 -0.01 0.00 0.00 57.16 57.69 3ivr n GLU 307 Cb 0.24 -1.72 0.21 0.00 -1.01 0.00 0.00 31.44 29.16 3ivr n GLU 307 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3ivr n THR 308 N -1.91 2.37 -3.42 2.62 -2.24 -0.81 -1.19 114.28 109.71 3ivr n THR 308 Ca 0.01 -2.55 -0.25 0.00 -2.27 0.00 0.00 64.05 58.99 3ivr n THR 308 Cb 0.14 -0.29 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 -1.02 -4.63 0.00 3.42 7.64 -0.74 -4.47 113.62 113.81 3ivr n SER 309 Ca 0.27 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3ivr n SER 309 Cb 0.92 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 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 -1.40 0.98 3.74 0.23 0.00 -0.43 -4.84 105.19 103.46 3ivr n GLY 310 Ca -0.02 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3ivr n GLY 310 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ivr s LEU 311 N 0.00 4.35 -0.09 0.99 2.34 -1.26 -2.49 118.68 122.52 3ivr s LEU 311 Ca 0.00 2.93 -0.02 0.00 0.06 0.00 0.00 54.13 57.10 3ivr s LEU 311 Cb 0.00 -3.62 -0.05 0.00 -0.56 0.00 0.00 46.19 41.96 3ivr s LEU 311 CO 0.00 -0.96 -0.10 -1.20 -1.06 0.00 0.00 176.35 173.04 3ivr n SER 312 N 3.07 2.14 -4.47 1.48 7.64 0.40 -4.94 113.62 118.95 3ivr n SER 312 Ca 0.12 0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.72 3ivr n SER 312 Cb 0.36 -0.20 -0.12 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.17 2.82 -0.28 0.44 -4.23 -0.86 -1.40 115.64 109.95 3ivr s THR 313 Ca -0.12 -1.30 -0.22 0.00 -1.18 0.00 0.00 61.69 58.87 3ivr s THR 313 Cb 0.04 -2.22 0.09 0.00 1.34 0.00 0.00 72.50 71.75 3ivr s THR 313 CO 0.19 0.25 0.81 0.12 -0.54 0.00 0.00 174.62 175.45 3ivr s PHE 314 N -1.00 -0.76 -0.16 3.99 5.99 0.12 -2.38 117.98 123.77 3ivr s PHE 314 Ca 0.16 1.72 -0.31 0.00 0.00 0.00 0.00 56.93 58.50 3ivr s PHE 314 Cb -0.11 0.38 0.14 0.00 0.00 0.00 0.00 43.02 43.43 3ivr s PHE 314 CO 0.07 -0.37 1.09 0.00 -0.00 0.00 0.00 175.22 176.01 3ivr s ALA 315 N 0.71 -1.98 0.20 11.12 0.00 -0.88 -2.24 121.76 128.68 3ivr s ALA 315 Ca -0.02 1.56 -0.32 0.00 0.00 0.00 0.00 51.96 53.17 3ivr s ALA 315 Cb -0.05 -0.56 -0.14 0.00 0.00 0.00 0.00 23.12 22.37 3ivr s ALA 315 CO -0.07 -0.41 1.36 -2.30 0.00 0.00 0.00 175.76 174.34 3ivr n PRO 316 N 0.37 1.75 -0.34 0.00 -0.02 -1.26 -0.06 135.00 135.45 3ivr n PRO 316 Ca -0.06 0.63 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 3ivr n PRO 316 Cb 0.59 -2.26 0.21 0.00 -0.02 0.00 0.00 33.50 32.02 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 4.27 1.04 0.00 6.00 3.20 -1.06 -2.38 116.97 128.04 3ivr h TYR 317 Ca -0.45 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 3ivr h TYR 317 Cb 1.29 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 3ivr h TYR 317 CO 0.57 0.42 -0.08 0.07 -1.64 0.00 0.00 178.16 177.50 3ivr h ARG 318 N 0.93 0.00 -0.23 1.82 0.11 -1.90 -0.64 114.38 114.47 3ivr h ARG 318 Ca 0.46 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.45 3ivr h ARG 318 Cb 0.43 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 3ivr h ARG 318 CO -0.26 0.08 -0.25 -0.44 0.10 0.00 0.00 179.97 179.20 3ivr h ASP 319 N 0.00 0.43 -1.09 0.08 3.45 -1.80 -3.39 116.42 114.11 3ivr h ASP 319 Ca -0.00 -0.14 -0.15 0.00 0.43 0.00 0.00 57.03 57.17 3ivr h ASP 319 Cb 0.19 -0.12 -0.18 0.00 -0.56 0.00 0.00 39.33 38.66 3ivr h ASP 319 CO 0.01 0.68 -0.50 -0.60 -1.57 0.00 0.00 179.24 177.26 3ivr s ARG 320 N -4.49 0.97 0.49 3.56 6.06 -0.98 -5.11 118.95 119.45 3ivr s ARG 320 Ca -0.06 -0.84 -0.23 0.00 -2.50 0.00 0.00 55.73 52.09 3ivr s ARG 320 Cb 0.14 -0.08 -0.08 0.00 0.06 0.00 0.00 34.95 34.99 3ivr s ARG 320 CO 0.78 -1.28 1.22 -2.30 -2.50 0.00 0.00 175.30 171.22 3ivr n PRO 321 N 3.46 1.64 -0.84 5.12 -0.02 -0.28 -2.07 135.00 142.01 3ivr n PRO 321 Ca 0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3ivr n PRO 321 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.42 -0.83 -2.43 -0.52 5.02 -1.26 -5.01 118.16 112.70 3ivr n LYS 322 Ca 0.09 0.21 -0.23 0.00 -2.02 0.00 0.00 58.31 56.35 3ivr n LYS 322 Cb 0.42 -4.24 0.06 0.00 -0.02 0.00 0.00 35.03 31.25 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 -2.12 4.97 0.00 4.39 1.04 -0.88 -4.66 113.70 116.44 3ivr s SER 323 Ca 0.00 0.17 0.22 0.00 0.48 0.00 0.00 55.95 56.82 3ivr s SER 323 Cb 0.00 -0.90 0.64 0.00 0.10 0.00 0.00 66.02 65.86 3ivr s SER 323 CO 0.00 -1.42 1.53 0.00 0.98 0.00 0.00 173.24 174.33 3ivr n ALA 324 N -2.65 2.38 0.00 5.32 0.00 0.26 -4.58 120.51 121.24 3ivr n ALA 324 Ca 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.26 3ivr n ALA 324 Cb 0.60 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.66 -1.84 3.87 0.00 0.00 -1.25 -2.92 105.19 104.71 3ivr n GLY 325 Ca 0.24 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 3.34 0.20 1.61 0.52 -0.95 -0.86 118.95 122.80 3ivr s ARG 326 Ca 0.00 -0.36 -0.32 0.00 -0.52 0.00 0.00 55.73 54.52 3ivr s ARG 326 Cb 0.00 -3.03 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 3ivr s ARG 326 CO 0.00 0.67 1.34 -2.30 0.02 0.00 0.00 175.30 175.03 3ivr n PRO 327 N 1.03 1.70 -1.65 3.54 -0.02 -1.26 -0.70 135.00 137.64 3ivr n PRO 327 Ca -0.12 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.66 3ivr n PRO 327 Cb 0.53 -2.22 0.06 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.40 2.96 0.49 2.45 1.43 -0.49 -4.86 118.68 121.06 3ivr s LEU 328 Ca 0.72 1.44 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 3ivr s LEU 328 Cb -0.74 -4.25 -0.08 0.00 0.03 0.00 0.00 46.19 41.15 3ivr s LEU 328 CO 0.49 -1.50 1.18 0.33 0.23 0.00 0.00 176.35 177.07 3ivr n PHE 329 N -3.15 1.72 -0.01 0.29 7.35 -1.26 -2.31 117.46 120.10 3ivr n PHE 329 Ca 0.07 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.24 3ivr n PHE 329 Cb 0.55 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 38.08 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 -0.79 0.00 -4.40 -5.13 7.02 -1.26 -4.90 117.44 107.98 3ivr n TRP 330 Ca 0.10 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.24 3ivr n TRP 330 Cb 0.42 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.19 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 -0.31 3.67 -0.31 -0.99 3.00 -0.98 -4.00 118.95 119.04 3ivr s ARG 331 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 55.73 55.16 3ivr s ARG 331 Cb 0.00 -2.91 0.03 0.00 0.00 0.00 0.00 34.95 32.07 3ivr s ARG 331 CO 0.00 0.24 0.06 0.99 0.00 0.00 0.00 175.30 176.60 3ivr s THR 332 N 0.36 3.59 -0.08 0.02 2.01 -0.85 -4.75 115.64 115.94 3ivr s THR 332 Ca -0.04 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.90 3ivr s THR 332 Cb -0.14 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 3ivr s THR 332 CO 0.03 -0.08 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.06 3ivr s VAL 333 N 1.39 3.11 0.19 3.82 1.01 -1.26 -0.65 120.40 128.01 3ivr s VAL 333 Ca -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 3ivr s VAL 333 Cb -0.19 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3ivr s VAL 333 CO 0.01 0.57 0.20 0.00 0.00 0.00 0.00 175.10 175.88 3ivr s ALA 334 N -0.37 0.75 -0.09 5.51 0.00 -0.81 -5.00 121.76 121.75 3ivr s ALA 334 Ca 0.04 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.60 3ivr s ALA 334 Cb -0.12 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.20 3ivr s ALA 334 CO 0.02 -0.63 -0.21 0.08 0.00 0.00 0.00 175.76 175.03 3ivr s VAL 335 N -4.10 1.79 0.19 0.00 1.01 -1.26 -0.31 120.40 117.73 3ivr s VAL 335 Ca 0.31 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3ivr s VAL 335 Cb 0.05 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3ivr s VAL 335 CO 0.09 0.50 -0.14 0.68 0.00 0.00 0.00 175.10 176.23 3ivr s VAL 336 N 0.41 1.65 1.18 2.92 -7.23 -0.40 -0.32 120.40 118.60 3ivr s VAL 336 Ca -0.17 -2.17 -0.16 0.00 -1.81 0.00 0.00 61.98 57.66 3ivr s VAL 336 Cb -0.17 -2.00 0.22 0.00 0.56 0.00 0.00 36.38 34.98 3ivr s VAL 336 CO 0.07 -0.61 0.51 0.47 -0.31 0.00 0.00 175.10 175.23 3ivr n ASP 337 N -0.32 -2.32 0.13 4.85 10.43 0.08 -2.28 116.55 127.13 3ivr n ASP 337 Ca -0.09 -0.23 0.12 0.00 2.57 0.00 0.00 54.79 57.16 3ivr n ASP 337 Cb 0.60 -1.07 0.48 0.00 1.84 0.00 0.00 41.12 42.97 3ivr n ASP 337 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ivr n ALA 338 N -4.82 1.75 -0.14 2.24 0.00 -1.26 -2.22 120.51 116.06 3ivr n ALA 338 Ca 0.02 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.63 3ivr n ALA 338 Cb 0.58 -1.40 0.30 0.00 0.00 0.00 0.00 19.45 18.92 3ivr n ALA 338 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ivr n GLU 339 N -2.25 2.67 -2.13 0.00 4.71 -1.26 -4.96 120.64 117.43 3ivr n GLU 339 Ca 0.03 -2.41 -0.19 0.00 -0.01 0.00 0.00 57.16 54.58 3ivr n GLU 339 Cb 0.26 -1.56 -0.03 0.00 -1.01 0.00 0.00 31.44 29.09 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 1.37 -5.51 -4.74 1.62 8.00 -0.94 -5.00 116.55 111.35 3ivr n ASP 340 Ca 0.22 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.47 3ivr n ASP 340 Cb 0.60 -4.60 -0.06 0.00 -0.02 0.00 0.00 41.12 37.04 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 -4.57 4.31 0.25 -1.24 0.52 -1.26 -4.81 118.95 112.15 3ivr s ARG 341 Ca 0.00 0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 55.50 3ivr s ARG 341 Cb 0.00 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 31.98 3ivr s ARG 341 CO 0.00 0.25 1.35 -2.14 0.02 0.00 0.00 175.30 174.78 3ivr s PRO 342 N 0.27 4.35 0.11 3.54 0.02 -1.26 -0.74 135.00 141.29 3ivr s PRO 342 Ca 0.29 2.17 -0.15 0.00 0.02 0.00 0.00 61.00 63.33 3ivr s PRO 342 Cb -0.16 -3.13 -0.07 0.00 0.02 0.00 0.00 34.50 31.16 3ivr s PRO 342 CO 0.13 -0.28 0.53 -0.51 -0.33 0.00 0.00 177.00 176.55 3ivr s LEU 343 N -0.71 4.40 0.74 -5.54 1.43 0.56 -4.89 118.68 114.68 3ivr s LEU 343 Ca 0.55 1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 54.59 3ivr s LEU 343 Cb -0.39 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 42.77 3ivr s LEU 343 CO 0.44 0.17 1.11 -2.65 0.23 0.00 0.00 176.35 175.65 3ivr n PRO 344 N 1.13 0.50 -1.69 1.29 -0.02 -1.26 -4.77 135.00 130.17 3ivr n PRO 344 Ca -0.08 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 3ivr n PRO 344 Cb 0.52 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3ivr n PRO 344 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ivr n PRO 345 N -2.36 2.18 0.00 0.52 -0.02 -1.26 -2.66 135.00 131.39 3ivr n PRO 345 Ca 0.14 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3ivr n PRO 345 Cb 0.50 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.55 3.04 3.68 -1.23 0.00 -0.01 -4.97 105.19 107.26 3ivr n GLY 346 Ca 0.08 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 4.39 0.20 1.61 2.02 -1.09 -4.86 118.70 120.97 3ivr s GLU 347 Ca 0.00 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 56.01 3ivr s GLU 347 Cb 0.00 -3.56 -0.09 0.00 0.10 0.00 0.00 34.13 30.58 3ivr s GLU 347 CO 0.00 -0.35 1.41 0.08 0.02 0.00 0.00 175.26 176.42 3ivr s VAL 348 N 2.15 2.93 0.00 2.63 1.01 -1.26 -4.56 120.40 123.29 3ivr s VAL 348 Ca 0.46 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3ivr s VAL 348 Cb -0.18 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3ivr s VAL 348 CO 0.16 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3ivr n GLY 349 N 2.64 2.62 3.73 4.51 0.00 -0.26 -4.93 105.19 113.50 3ivr n GLY 349 Ca 0.08 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.32 4.45 -0.03 1.61 2.12 -0.96 -0.10 118.70 124.46 3ivr s GLU 350 Ca 0.00 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 55.98 3ivr s GLU 350 Cb 0.00 -3.42 -0.06 0.00 0.26 0.00 0.00 34.13 30.91 3ivr s GLU 350 CO 0.00 0.13 1.57 0.42 -0.54 0.00 0.00 175.26 176.84 3ivr s ILE 351 N 0.54 3.59 0.28 -3.70 1.01 0.17 -1.28 121.20 121.80 3ivr s ILE 351 Ca 0.38 0.83 0.10 0.00 0.00 0.00 0.00 60.65 61.96 3ivr s ILE 351 Cb -0.19 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3ivr s ILE 351 CO 0.20 -0.05 -0.15 0.68 0.00 0.00 0.00 174.94 175.62 3ivr s VAL 352 N 3.43 2.23 -0.04 2.92 -7.23 0.58 -2.23 120.40 120.06 3ivr s VAL 352 Ca 0.70 -2.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 3ivr s VAL 352 Cb -0.33 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.27 3ivr s VAL 352 CO 0.28 -0.37 0.10 -0.22 -0.31 0.00 0.00 175.10 174.58 3ivr s LEU 353 N -3.50 1.43 0.27 1.32 2.96 -0.07 -1.92 118.68 119.18 3ivr s LEU 353 Ca 0.29 0.20 0.11 0.00 -0.22 0.00 0.00 54.13 54.52 3ivr s LEU 353 Cb -0.02 0.31 -0.05 0.00 0.50 0.00 0.00 46.19 46.93 3ivr s LEU 353 CO 0.14 -0.06 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.79 3ivr s ARG 354 N 0.32 1.63 0.00 1.98 0.52 0.18 -0.80 118.95 122.79 3ivr s ARG 354 Ca -0.02 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.44 3ivr s ARG 354 Cb -0.03 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.76 3ivr s ARG 354 CO -0.01 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3ivr n GLY 355 N -0.59 1.43 0.00 -3.53 0.00 -1.26 -2.00 105.19 99.23 3ivr n GLY 355 Ca -0.05 -2.26 0.11 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.94 0.66 0.04 1.61 -0.04 -1.26 -2.17 135.00 132.91 3ivr n PRO 356 Ca 0.00 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 3ivr n PRO 356 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.04 0.26 -1.87 0.52 -2.24 -1.26 -4.33 114.28 104.32 3ivr n THR 357 Ca 0.16 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 3ivr n THR 357 Cb 0.09 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.15 2.62 1.28 2.28 1.01 -0.92 -2.76 120.40 120.76 3ivr s VAL 358 Ca 0.06 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 3ivr s VAL 358 Cb 0.14 -3.21 0.32 0.00 0.00 0.00 0.00 36.38 33.63 3ivr s VAL 358 CO 0.74 0.01 1.01 0.72 0.00 0.00 0.00 175.10 177.59 3ivr s PHE 359 N 1.80 0.27 0.19 5.22 -0.00 -0.33 -4.95 117.98 120.18 3ivr s PHE 359 Ca 0.74 0.68 0.11 0.00 -0.00 0.00 0.00 56.93 58.46 3ivr s PHE 359 Cb -0.44 -3.13 0.23 0.00 -0.00 0.00 0.00 43.02 39.68 3ivr s PHE 359 CO 0.32 -4.31 1.53 0.87 -0.00 0.00 0.00 175.22 173.63 3ivr h LYS 360 N -2.92 0.00 0.00 1.99 1.57 -1.49 -3.50 116.57 112.22 3ivr h LYS 360 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3ivr h LYS 360 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3ivr h LYS 360 CO 0.36 0.68 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 3ivr n GLY 361 N 0.60 2.83 3.72 3.86 0.00 -1.24 -5.01 105.19 109.94 3ivr n GLY 361 Ca -0.01 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.90 3.57 0.09 1.61 2.02 -1.26 -1.56 117.35 119.91 3ivr s TYR 362 Ca 0.00 1.52 -0.31 0.00 -0.37 0.00 0.00 57.07 57.92 3ivr s TYR 362 Cb 0.00 -3.29 -0.09 0.00 -0.40 0.00 0.00 41.96 38.18 3ivr s TYR 362 CO 0.00 -0.69 1.82 -0.46 -1.57 0.00 0.00 175.55 174.65 3ivr s TRP 363 N 0.42 1.99 -1.46 2.71 -0.11 0.28 -2.99 118.94 119.79 3ivr s TRP 363 Ca 0.53 -0.05 -0.04 0.00 1.22 0.00 0.00 56.10 57.76 3ivr s TRP 363 Cb -0.28 -4.15 0.00 0.00 -1.50 0.00 0.00 33.47 27.55 3ivr s TRP 363 CO 0.31 -4.81 0.23 0.09 -4.62 0.00 0.00 176.95 168.15 3ivr n ASN 364 N 6.14 -0.14 -2.85 5.86 5.03 -1.26 -4.60 115.26 123.45 3ivr n ASN 364 Ca 0.18 -1.18 -0.12 0.00 0.87 0.00 0.00 54.58 54.33 3ivr n ASN 364 Cb 0.39 -2.16 0.02 0.00 -1.02 0.00 0.00 39.78 37.02 3ivr n ASN 364 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3ivr n ASN 365 N -2.85 -2.22 0.15 6.41 2.85 -1.16 -5.01 115.26 113.43 3ivr n ASN 365 Ca -0.30 -3.18 0.05 0.00 -0.11 0.00 0.00 54.58 51.04 3ivr n ASN 365 Cb 0.68 1.30 0.50 0.00 1.24 0.00 0.00 39.78 43.50 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 3.98 1.76 -0.13 5.20 0.00 -1.91 -1.23 119.26 126.92 3ivr h ALA 366 Ca -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ivr h ALA 366 Cb 1.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3ivr h ALA 366 CO 0.35 0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.85 3ivr h ALA 367 N 1.82 0.17 -0.55 0.00 0.00 -1.97 0.32 119.26 119.04 3ivr h ALA 367 Ca 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3ivr h ALA 367 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ivr h ALA 367 CO -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 179.25 179.00 3ivr h ALA 368 N 0.91 0.98 -0.28 0.00 0.00 -1.84 -1.79 119.26 117.24 3ivr h ALA 368 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ivr h ALA 368 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ivr h ALA 368 CO -0.00 0.62 0.07 1.15 0.00 0.00 0.00 179.25 181.09 3ivr h THR 369 N 0.86 1.21 -0.57 0.00 2.02 -1.13 0.13 112.91 115.43 3ivr h THR 369 Ca 0.16 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 3ivr h THR 369 Cb 0.49 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3ivr h THR 369 CO 0.02 0.23 0.28 -0.61 0.37 0.00 0.00 175.52 175.81 3ivr h GLN 370 N 0.29 0.81 -0.69 6.66 4.15 -0.83 0.03 115.11 125.54 3ivr h GLN 370 Ca 0.09 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 3ivr h GLN 370 Cb 0.27 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3ivr h GLN 370 CO -0.00 0.65 0.24 1.25 -1.93 0.00 0.00 178.83 179.04 3ivr h HIS 371 N 0.77 1.08 -0.99 3.99 2.76 -1.27 -2.39 115.15 119.10 3ivr h HIS 371 Ca 0.20 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3ivr h HIS 371 Cb 0.10 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 3ivr h HIS 371 CO -0.00 0.86 0.65 0.00 -1.30 0.00 0.00 177.93 178.14 3ivr h ALA 372 N 1.10 1.29 -0.67 5.26 0.00 -0.49 -3.24 119.26 122.51 3ivr h ALA 372 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ivr h ALA 372 Cb 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ivr h ALA 372 CO -0.01 0.59 0.00 1.19 0.00 0.00 0.00 179.25 181.02 3ivr n PHE 373 N -4.42 1.47 -1.83 0.00 3.72 -0.04 -0.93 117.46 115.43 3ivr n PHE 373 Ca 0.13 -0.60 -0.41 0.00 -0.05 0.00 0.00 57.45 56.51 3ivr n PHE 373 Cb 0.05 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.36 3ivr n PHE 373 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3ivr s ARG 374 N -1.77 4.13 -1.65 -1.08 1.70 -0.92 -2.37 118.95 116.99 3ivr s ARG 374 Ca 0.52 2.54 0.00 0.00 -0.47 0.00 0.00 55.73 58.32 3ivr s ARG 374 Cb 0.33 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.72 3ivr s ARG 374 CO 0.26 -0.53 0.00 0.09 -1.08 0.00 0.00 175.30 174.04 3ivr n ASN 375 N 0.92 -5.36 -1.17 -2.89 3.02 -1.26 -3.01 115.26 105.50 3ivr n ASN 375 Ca 0.03 0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 3ivr n ASN 375 Cb 0.39 -4.51 -0.04 0.00 -0.61 0.00 0.00 39.78 35.01 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 -0.89 0.78 3.20 7.41 0.00 -1.00 -5.01 105.19 109.68 3ivr n GLY 376 Ca -0.22 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.54 1.64 0.02 1.61 0.52 -1.17 -4.89 118.94 114.13 3ivr s TRP 377 Ca 0.00 -0.34 -0.24 0.00 0.02 0.00 0.00 56.10 55.54 3ivr s TRP 377 Cb 0.00 -1.01 -0.05 0.00 -1.15 0.00 0.00 33.47 31.26 3ivr s TRP 377 CO 0.00 0.03 0.72 -1.58 0.02 0.00 0.00 176.95 176.14 3ivr s HIS 378 N -0.64 3.71 -0.24 -1.98 5.65 0.02 -3.59 115.29 118.22 3ivr s HIS 378 Ca 0.06 1.39 -0.07 0.00 0.25 0.00 0.00 55.06 56.69 3ivr s HIS 378 Cb -0.08 -2.77 -0.03 0.00 -1.18 0.00 0.00 32.58 28.52 3ivr s HIS 378 CO 0.01 0.27 0.07 -1.01 -0.65 0.00 0.00 174.74 173.42 3ivr s HIS 379 N 0.01 3.11 0.04 3.88 3.76 -0.11 -0.89 115.29 125.10 3ivr s HIS 379 Ca 0.37 -0.31 0.18 0.00 -0.15 0.00 0.00 55.06 55.14 3ivr s HIS 379 Cb -0.20 -2.21 0.46 0.00 1.11 0.00 0.00 32.58 31.74 3ivr s HIS 379 CO 0.21 -0.25 1.62 1.79 -0.85 0.00 0.00 174.74 177.26 3ivr h THR 380 N 5.41 0.85 0.00 1.30 1.35 -1.79 -3.47 112.91 116.57 3ivr h THR 380 Ca -0.37 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3ivr h THR 380 Cb 1.18 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3ivr h THR 380 CO 0.60 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 3ivr n GLY 381 N 0.63 0.78 3.56 5.82 0.00 -1.26 -5.04 105.19 109.68 3ivr n GLY 381 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.61 4.42 0.15 1.61 1.01 -1.26 -4.65 116.67 115.34 3ivr s ASP 382 Ca 0.00 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 52.99 3ivr s ASP 382 Cb 0.00 -0.94 -0.05 0.00 1.01 0.00 0.00 42.92 42.94 3ivr s ASP 382 CO 0.00 0.26 0.36 -0.04 0.21 0.00 0.00 175.17 175.96 3ivr s MET 383 N -1.57 3.56 -0.06 8.23 -1.94 0.05 -0.66 119.30 126.92 3ivr s MET 383 Ca 0.17 -0.22 -0.31 0.00 -1.71 0.00 0.00 55.69 53.63 3ivr s MET 383 Cb -0.11 -2.87 0.12 0.00 2.01 0.00 0.00 34.83 33.98 3ivr s MET 383 CO 0.08 0.46 1.35 0.20 -0.01 0.00 0.00 175.02 177.10 3ivr s GLY 384 N -2.71 -0.30 0.05 -0.03 0.00 0.85 -1.19 107.32 103.99 3ivr s GLY 384 Ca 0.39 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3ivr s GLY 384 CO 0.27 3.58 -0.08 1.09 0.00 0.00 0.00 173.10 177.96 3ivr s ARG 385 N -2.09 0.55 -0.03 2.90 1.70 -0.80 -1.10 118.95 120.08 3ivr s ARG 385 Ca 0.24 -0.81 -0.07 0.00 -0.47 0.00 0.00 55.73 54.62 3ivr s ARG 385 Cb 0.03 -0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.09 3ivr s ARG 385 CO -0.03 0.04 0.24 -0.06 -1.08 0.00 0.00 175.30 174.41 3ivr s PHE 386 N -1.59 3.60 0.59 5.89 0.40 -1.26 -0.32 117.98 125.29 3ivr s PHE 386 Ca -0.08 0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 56.79 3ivr s PHE 386 Cb -0.09 -1.99 0.12 0.00 0.51 0.00 0.00 43.02 41.58 3ivr s PHE 386 CO -0.00 0.65 0.81 -0.40 0.70 0.00 0.00 175.22 176.98 3ivr n ASP 387 N 1.41 0.66 0.22 1.36 5.68 -0.56 -0.83 116.55 124.49 3ivr n ASP 387 Ca -0.14 -1.66 0.15 0.00 -0.50 0.00 0.00 54.79 52.65 3ivr n ASP 387 Cb 0.53 -0.56 0.61 0.00 -1.14 0.00 0.00 41.12 40.56 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 -1.01 1.00 -0.02 2.12 0.00 -1.93 -2.03 119.26 117.38 3ivr h ALA 388 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ivr h ALA 388 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ivr h ALA 388 CO 0.24 0.00 -0.03 -0.25 0.00 0.00 0.00 179.25 179.22 3ivr n ASP 389 N -2.76 1.98 0.00 0.00 8.00 -1.26 -4.95 116.55 117.56 3ivr n ASP 389 Ca 0.01 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.88 3ivr n ASP 389 Cb 0.28 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 1.25 0.54 3.76 0.44 0.00 -0.76 -5.05 105.19 105.36 3ivr n GLY 390 Ca 0.17 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 3.78 -0.02 1.61 2.02 -1.26 -4.33 117.35 117.15 3ivr s TYR 391 Ca 0.00 1.49 -0.17 0.00 -0.37 0.00 0.00 57.07 58.02 3ivr s TYR 391 Cb 0.00 -2.78 -0.05 0.00 -0.40 0.00 0.00 41.96 38.73 3ivr s TYR 391 CO 0.00 0.35 0.47 -1.17 -1.57 0.00 0.00 175.55 173.63 3ivr s LEU 392 N -0.38 4.43 -0.20 -1.29 2.96 -0.04 -1.50 118.68 122.67 3ivr s LEU 392 Ca 0.37 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.26 3ivr s LEU 392 Cb -0.21 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.78 3ivr s LEU 392 CO 0.23 0.22 -0.11 -0.36 -1.32 0.00 0.00 176.35 175.01 3ivr s PHE 393 N -0.58 2.87 0.08 5.38 0.08 0.56 0.93 117.98 127.30 3ivr s PHE 393 Ca 0.26 -1.19 -0.30 0.00 0.12 0.00 0.00 56.93 55.82 3ivr s PHE 393 Cb -0.17 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.21 3ivr s PHE 393 CO 0.14 -0.62 1.19 -0.47 -0.10 0.00 0.00 175.22 175.36 3ivr s TYR 394 N 1.30 3.45 -0.22 0.36 5.04 -1.26 -1.91 117.35 124.11 3ivr s TYR 394 Ca 0.04 1.34 0.15 0.00 -2.44 0.00 0.00 57.07 56.16 3ivr s TYR 394 Cb -0.14 -3.41 0.46 0.00 0.35 0.00 0.00 41.96 39.23 3ivr s TYR 394 CO -0.06 -1.21 1.17 0.00 -1.34 0.00 0.00 175.55 174.11 3ivr n ALA 395 N 3.71 3.61 0.00 3.97 0.00 -0.33 -4.96 120.51 126.51 3ivr n ALA 395 Ca 0.08 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.36 3ivr n ALA 395 Cb 0.46 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.56 -3.63 0.93 0.00 0.00 -1.25 -4.64 105.19 96.03 3ivr n GLY 396 Ca 0.22 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.45 3ivr n GLY 396 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19