#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n2l s LYS 3 N 0.00 3.27 0.29 2.12 1.02 -1.26 -4.87 119.74 120.31 3n2l s LYS 3 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.38 3n2l s LYS 3 Cb 0.00 -2.01 0.51 0.00 -0.52 0.00 0.00 37.83 35.81 3n2l s LYS 3 CO 0.00 -0.88 1.89 0.00 -0.92 0.00 0.00 175.35 175.44 3n2l h ALA 4 N 0.70 1.50 -0.25 5.17 0.00 -2.04 -1.57 119.26 122.77 3n2l h ALA 4 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3n2l h ALA 4 Cb 1.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3n2l h ALA 4 CO 0.57 0.34 0.01 0.10 0.00 0.00 0.00 179.25 180.26 3n2l h TYR 5 N 1.05 0.37 -0.08 0.00 -0.00 -1.98 0.23 116.97 116.56 3n2l h TYR 5 Ca 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 58.73 59.11 3n2l h TYR 5 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 36.73 36.88 3n2l h TYR 5 CO -0.00 0.37 -0.02 1.96 -0.00 0.00 0.00 178.16 180.46 3n2l h GLN 6 N 0.36 0.16 -0.61 0.10 4.20 -1.61 0.13 115.11 117.83 3n2l h GLN 6 Ca 0.08 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3n2l h GLN 6 Cb 0.22 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3n2l h GLN 6 CO 0.00 0.49 0.24 -0.09 -0.67 0.00 0.00 178.83 178.81 3n2l h ARG 7 N -0.19 0.91 -0.30 1.46 2.43 -1.08 -1.51 114.38 116.10 3n2l h ARG 7 Ca 0.02 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 3n2l h ARG 7 Cb 0.44 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3n2l h ARG 7 CO 0.01 0.77 -0.14 0.93 -1.51 0.00 0.00 179.97 180.04 3n2l h GLU 8 N 0.85 0.52 -0.28 0.20 5.08 -0.56 -1.40 114.58 118.99 3n2l h GLU 8 Ca 0.20 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3n2l h GLU 8 Cb 0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3n2l h GLU 8 CO -0.02 0.65 0.02 0.35 -1.00 0.00 0.00 179.01 179.01 3n2l h PHE 9 N 0.48 0.53 -0.01 4.33 3.57 -0.48 -0.77 116.94 124.58 3n2l h PHE 9 Ca 0.09 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n2l h PHE 9 Cb 0.52 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3n2l h PHE 9 CO 0.02 0.62 0.01 0.82 -2.23 0.00 0.00 178.31 177.54 3n2l h ILE 10 N 0.29 1.03 -0.82 1.41 2.04 -1.03 -0.10 117.51 120.32 3n2l h ILE 10 Ca 0.08 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3n2l h ILE 10 Cb 0.40 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3n2l h ILE 10 CO 0.01 0.02 0.54 -0.08 0.00 0.00 0.00 178.15 178.64 3n2l h GLU 11 N -0.01 1.00 -0.37 2.37 4.81 -1.19 -1.75 114.58 119.44 3n2l h GLU 11 Ca 0.00 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3n2l h GLU 11 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3n2l h GLU 11 CO -0.00 0.66 -0.21 0.35 -0.73 0.00 0.00 179.01 179.08 3n2l h PHE 12 N 1.03 0.93 -0.13 0.92 3.57 -0.70 -1.71 116.94 120.86 3n2l h PHE 12 Ca 0.32 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3n2l h PHE 12 Cb -0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3n2l h PHE 12 CO -0.00 1.00 -0.24 0.00 -2.23 0.00 0.00 178.31 176.84 3n2l h ALA 13 N 0.79 1.35 0.27 2.41 0.00 -0.69 -2.34 119.26 121.05 3n2l h ALA 13 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3n2l h ALA 13 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3n2l h ALA 13 CO 0.06 0.45 -0.13 -0.07 0.00 0.00 0.00 179.25 179.56 3n2l h LEU 14 N 0.21 -0.31 -1.40 0.00 3.38 -1.25 -0.02 115.31 115.92 3n2l h LEU 14 Ca 0.04 -0.22 0.22 0.00 0.09 0.00 0.00 57.88 58.00 3n2l h LEU 14 Cb 0.55 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 3n2l h LEU 14 CO 0.04 0.17 0.62 1.05 0.09 0.00 0.00 178.44 180.41 3n2l h GLU 15 N -0.91 0.45 -0.08 1.13 4.11 -1.27 0.18 114.58 118.18 3n2l h GLU 15 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3n2l h GLU 15 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3n2l h GLU 15 CO 0.06 0.30 0.00 1.63 0.07 0.00 0.00 179.01 181.07 3n2l n LYS 16 N -4.57 1.43 -1.07 1.06 4.76 -0.88 -4.89 118.16 113.99 3n2l n LYS 16 Ca 0.21 -0.64 -0.02 0.00 -2.87 0.00 0.00 58.31 54.99 3n2l n LYS 16 Cb 0.72 -1.38 -0.01 0.00 -1.84 0.00 0.00 35.03 32.52 3n2l n LYS 16 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3n2l n GLN 17 N -0.16 -1.20 0.13 1.97 1.13 0.64 -4.86 117.38 115.04 3n2l n GLN 17 Ca 0.16 0.44 -0.24 0.00 -1.94 0.00 0.00 57.00 55.42 3n2l n GLN 17 Cb 0.23 -4.40 -0.16 0.00 0.11 0.00 0.00 30.24 26.02 3n2l n GLN 17 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3n2l h VAL 18 N 0.00 1.22 -3.23 5.09 2.07 -1.24 -3.42 116.25 116.74 3n2l h VAL 18 Ca -0.05 -2.68 -0.61 0.00 0.82 0.00 0.00 66.70 64.18 3n2l h VAL 18 Cb 0.67 2.99 -0.13 0.00 -1.52 0.00 0.00 31.29 33.30 3n2l h VAL 18 CO 0.07 0.82 -0.51 -0.22 0.02 0.00 0.00 177.57 177.75 3n2l s LEU 19 N -7.52 4.10 0.00 2.57 2.96 -0.74 -2.63 118.68 117.42 3n2l s LEU 19 Ca -0.10 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3n2l s LEU 19 Cb 0.04 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3n2l s LEU 19 CO 0.93 0.20 -0.11 -0.54 -1.32 0.00 0.00 176.35 175.51 3n2l s LYS 20 N 0.24 0.87 0.02 1.98 1.02 0.13 -4.43 119.74 119.57 3n2l s LYS 20 Ca 0.07 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.61 3n2l s LYS 20 Cb -0.11 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 3n2l s LYS 20 CO -0.01 0.23 0.11 -0.06 -0.92 0.00 0.00 175.35 174.70 3n2l s PHE 21 N -0.37 3.34 -3.12 3.18 0.08 -1.26 -0.64 117.98 119.18 3n2l s PHE 21 Ca 0.03 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.29 3n2l s PHE 21 Cb -0.05 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3n2l s PHE 21 CO -0.00 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.09 3n2l n GLY 22 N 0.85 -0.58 2.69 4.36 0.00 -0.75 -4.96 105.19 106.80 3n2l n GLY 22 Ca -0.11 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 3n2l n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n2l n GLU 23 N 0.00 2.15 -2.62 1.61 1.02 -1.26 -4.05 120.64 117.49 3n2l n GLU 23 Ca 0.00 -4.57 -0.25 0.00 -0.02 0.00 0.00 57.16 52.31 3n2l n GLU 23 Cb 0.00 -2.27 0.02 0.00 -0.02 0.00 0.00 31.44 29.17 3n2l n GLU 23 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3n2l s PHE 24 N -1.92 3.28 -0.11 -0.32 0.08 -0.22 -4.92 117.98 113.85 3n2l s PHE 24 Ca 0.32 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.90 3n2l s PHE 24 Cb 0.04 -2.55 0.02 0.00 -0.57 0.00 0.00 43.02 39.96 3n2l s PHE 24 CO -0.10 -0.61 -0.15 0.99 -0.10 0.00 0.00 175.22 175.26 3n2l s THR 25 N -2.82 1.46 -0.22 0.64 2.01 -1.26 -0.36 115.64 115.10 3n2l s THR 25 Ca 0.51 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 3n2l s THR 25 Cb -0.10 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.06 3n2l s THR 25 CO 0.43 0.43 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.19 3n2l s LYS 31 N 1.04 3.30 0.04 4.92 1.02 -1.26 -5.18 119.74 123.61 3n2l s LYS 31 Ca -0.06 -0.67 -0.19 0.00 0.02 0.00 0.00 55.97 55.08 3n2l s LYS 31 Cb -0.15 -2.96 0.04 0.00 -0.52 0.00 0.00 37.83 34.24 3n2l s LYS 31 CO -0.02 -0.21 0.43 -1.54 -0.92 0.00 0.00 175.35 173.08 3n2l s SER 32 N 1.45 -0.31 0.00 2.83 1.04 0.52 -5.04 113.70 114.20 3n2l s SER 32 Ca 0.05 0.04 0.26 0.00 0.48 0.00 0.00 55.95 56.78 3n2l s SER 32 Cb -0.14 0.43 1.51 0.00 0.10 0.00 0.00 66.02 67.92 3n2l s SER 32 CO -0.04 -0.66 1.89 -0.81 0.98 0.00 0.00 173.24 174.60 3n2l n PRO 33 N 0.55 0.75 -3.76 4.02 -0.04 -1.26 -1.06 135.00 134.20 3n2l n PRO 33 Ca -0.19 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 3n2l n PRO 33 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 3n2l n PRO 33 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n2l s TYR 34 N -2.08 -0.01 -0.02 0.54 -0.85 -1.26 -1.81 117.35 111.85 3n2l s TYR 34 Ca 0.37 -0.34 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 3n2l s TYR 34 Cb 0.18 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.60 3n2l s TYR 34 CO 0.31 -0.60 -0.10 0.12 -1.52 0.00 0.00 175.55 173.77 3n2l s PHE 35 N -3.69 0.98 -0.03 -3.49 5.36 0.18 -4.86 117.98 112.43 3n2l s PHE 35 Ca 0.03 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 3n2l s PHE 35 Cb 0.03 -0.69 0.03 0.00 -0.34 0.00 0.00 43.02 42.05 3n2l s PHE 35 CO -0.11 -0.09 -0.01 0.12 -1.46 0.00 0.00 175.22 173.68 3n2l s PHE 36 N 0.12 0.39 -0.27 10.12 5.36 -1.26 -0.69 117.98 131.75 3n2l s PHE 36 Ca -0.02 -0.03 -0.02 0.00 -0.96 0.00 0.00 56.93 55.89 3n2l s PHE 36 Cb -0.08 -0.47 0.11 0.00 -0.34 0.00 0.00 43.02 42.24 3n2l s PHE 36 CO 0.00 -0.15 0.22 1.21 -1.46 0.00 0.00 175.22 175.04 3n2l s ASN 37 N 1.08 2.24 0.64 6.13 2.47 -1.08 -4.88 114.94 121.53 3n2l s ASN 37 Ca -0.09 -0.82 0.41 0.00 0.42 0.00 0.00 52.86 52.78 3n2l s ASN 37 Cb -0.14 0.18 2.17 0.00 -1.45 0.00 0.00 41.25 42.02 3n2l s ASN 37 CO -0.02 -0.39 2.29 0.00 -3.72 0.00 0.00 177.10 175.26 3n2l h ALA 38 N 8.33 1.04 -0.00 1.71 0.00 -1.95 0.32 119.26 128.71 3n2l h ALA 38 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3n2l h ALA 38 Cb 1.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3n2l h ALA 38 CO 0.36 0.01 0.03 0.78 0.00 0.00 0.00 179.25 180.42 3n2l h GLY 39 N 0.41 0.00 1.97 0.00 0.00 -1.95 -1.26 103.07 102.24 3n2l h GLY 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n2l h GLY 39 CO 0.00 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.57 3n2l n LEU 40 N -3.16 0.01 -4.55 3.11 4.77 0.10 -4.62 117.00 112.67 3n2l n LEU 40 Ca -0.03 0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 56.04 3n2l n LEU 40 Cb 0.10 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 3n2l n LEU 40 CO 0.20 0.00 1.30 -0.36 -1.33 0.00 0.00 177.39 177.21 3n2l s PHE 41 N -3.00 2.11 -2.07 -1.77 0.08 -0.48 -4.90 117.98 107.95 3n2l s PHE 41 Ca 0.14 0.25 0.22 0.00 0.12 0.00 0.00 56.93 57.67 3n2l s PHE 41 Cb 0.19 -4.45 0.61 0.00 -0.57 0.00 0.00 43.02 38.80 3n2l s PHE 41 CO 0.53 -2.13 1.51 0.27 -0.10 0.00 0.00 175.22 175.31 3n2l n ASN 42 N 10.36 3.79 -4.25 1.36 0.23 -1.26 -4.83 115.26 120.65 3n2l n ASN 42 Ca 0.09 -2.00 -0.14 0.00 -0.53 0.00 0.00 54.58 52.00 3n2l n ASN 42 Cb 0.50 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.65 3n2l n ASN 42 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3n2l s THR 43 N -1.11 1.10 0.25 5.53 -4.23 -1.26 -5.04 115.64 110.88 3n2l s THR 43 Ca 0.47 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3n2l s THR 43 Cb 0.25 -1.91 0.24 0.00 1.34 0.00 0.00 72.50 72.42 3n2l s THR 43 CO 0.33 -0.69 1.86 1.23 -0.54 0.00 0.00 174.62 176.80 3n2l h GLY 44 N 2.75 1.41 1.42 3.99 0.00 -1.99 -0.60 103.07 110.05 3n2l h GLY 44 Ca -0.37 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 3n2l h GLY 44 CO 0.64 0.28 -0.06 -0.09 0.00 0.00 0.00 176.54 177.30 3n2l h ARG 45 N 1.04 0.70 0.11 4.80 2.43 -1.99 0.87 114.38 122.35 3n2l h ARG 45 Ca 0.41 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3n2l h ARG 45 Cb 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3n2l h ARG 45 CO -0.18 0.76 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.54 3n2l h ASP 46 N 0.64 -0.13 -0.51 -3.80 3.32 -1.73 -2.03 116.42 112.19 3n2l h ASP 46 Ca 0.12 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.18 3n2l h ASP 46 Cb 0.50 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3n2l h ASP 46 CO 0.03 -0.08 0.33 -0.07 -1.72 0.00 0.00 179.24 177.73 3n2l h LEU 47 N -0.16 0.57 -0.36 1.55 3.38 -0.74 0.17 115.31 119.72 3n2l h LEU 47 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3n2l h LEU 47 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3n2l h LEU 47 CO 0.03 0.41 0.22 0.00 0.09 0.00 0.00 178.44 179.19 3n2l h ALA 48 N 1.19 0.45 -0.45 1.53 0.00 -0.82 -1.37 119.26 119.80 3n2l h ALA 48 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3n2l h ALA 48 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3n2l h ALA 48 CO -0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 179.25 178.96 3n2l h ARG 49 N 0.45 0.88 -0.59 0.00 3.08 -1.18 -2.78 114.38 114.23 3n2l h ARG 49 Ca 0.14 -0.35 0.08 0.00 0.07 0.00 0.00 59.98 59.93 3n2l h ARG 49 Cb -0.01 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 3n2l h ARG 49 CO -0.06 0.99 0.24 1.25 -1.07 0.00 0.00 179.97 181.33 3n2l h LEU 50 N 0.72 0.27 -0.92 3.04 5.85 -0.29 -1.87 115.31 122.11 3n2l h LEU 50 Ca 0.11 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3n2l h LEU 50 Cb 0.67 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3n2l h LEU 50 CO 0.05 0.17 0.58 1.23 -0.34 0.00 0.00 178.44 180.13 3n2l h GLY 51 N 0.44 1.32 1.07 3.75 0.00 -1.15 -1.41 103.07 107.09 3n2l h GLY 51 Ca 0.29 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3n2l h GLY 51 CO -0.27 0.51 0.24 3.21 0.00 0.00 0.00 176.54 180.24 3n2l h ARG 52 N 1.26 1.16 -0.33 4.80 3.08 -1.18 0.15 114.38 123.32 3n2l h ARG 52 Ca 0.33 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3n2l h ARG 52 Cb -0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 3n2l h ARG 52 CO -0.07 0.98 0.04 0.74 -1.07 0.00 0.00 179.97 180.60 3n2l h PHE 53 N 1.12 0.60 -0.73 3.04 0.04 -0.64 -1.51 116.94 118.85 3n2l h PHE 53 Ca 0.24 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 3n2l h PHE 53 Cb 0.30 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 3n2l h PHE 53 CO 0.02 0.64 0.30 1.88 -0.60 0.00 0.00 178.31 180.55 3n2l h TYR 54 N 0.39 1.11 -0.67 -0.55 -1.99 -1.16 -2.14 116.97 111.96 3n2l h TYR 54 Ca 0.10 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 3n2l h TYR 54 Cb 0.37 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 3n2l h TYR 54 CO 0.03 0.85 0.15 0.00 -0.00 0.00 0.00 178.16 179.19 3n2l h ALA 55 N 1.15 0.89 -0.26 3.88 0.00 -0.62 0.21 119.26 124.50 3n2l h ALA 55 Ca 0.24 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n2l h ALA 55 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3n2l h ALA 55 CO -0.02 0.62 0.16 0.00 0.00 0.00 0.00 179.25 180.00 3n2l h ALA 56 N 1.06 0.32 -0.53 0.00 0.00 -1.20 -0.25 119.26 118.67 3n2l h ALA 56 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3n2l h ALA 56 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3n2l h ALA 56 CO 0.01 -0.22 0.27 0.00 0.00 0.00 0.00 179.25 179.30 3n2l h ALA 57 N 1.11 0.68 -0.10 0.00 0.00 -0.94 -0.69 119.26 119.33 3n2l h ALA 57 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3n2l h ALA 57 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3n2l h ALA 57 CO -0.04 0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.73 3n2l h LEU 58 N 0.71 0.14 -0.67 0.00 5.85 -0.75 -0.67 115.31 119.91 3n2l h LEU 58 Ca 0.18 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3n2l h LEU 58 Cb 0.10 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3n2l h LEU 58 CO -0.03 0.28 0.42 0.58 -0.34 0.00 0.00 178.44 179.36 3n2l h VAL 59 N -0.01 1.19 -0.27 1.05 2.07 -0.93 -2.49 116.25 116.85 3n2l h VAL 59 Ca 0.03 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3n2l h VAL 59 Cb 0.19 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3n2l h VAL 59 CO -0.00 0.19 0.01 -0.78 0.02 0.00 0.00 177.57 177.01 3n2l h ASP 60 N 0.91 0.37 -0.01 0.57 3.58 -0.84 -2.38 116.42 118.61 3n2l h ASP 60 Ca 0.24 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 3n2l h ASP 60 Cb -0.06 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3n2l h ASP 60 CO -0.05 0.42 -0.06 0.77 -2.88 0.00 0.00 179.24 177.44 3n2l h SER 61 N 0.39 0.17 -0.16 2.28 4.64 -0.65 -3.46 113.55 116.76 3n2l h SER 61 Ca 0.09 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3n2l h SER 61 Cb 0.24 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 3n2l h SER 61 CO 0.00 0.26 -0.06 0.61 -0.87 0.00 0.00 176.83 176.77 3n2l n GLY 62 N -1.12 0.57 3.71 -0.77 0.00 -0.90 -4.98 105.19 101.70 3n2l n GLY 62 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3n2l n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n2l s ILE 63 N -1.84 4.32 0.03 -0.61 1.01 -1.26 -5.00 121.20 117.84 3n2l s ILE 63 Ca 0.00 1.66 -0.22 0.00 0.00 0.00 0.00 60.65 62.08 3n2l s ILE 63 Cb 0.00 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 3n2l s ILE 63 CO 0.00 0.10 0.67 -0.70 0.00 0.00 0.00 174.94 175.01 3n2l s GLU 64 N 1.30 4.40 0.07 2.79 -6.30 -1.26 -4.99 118.70 114.70 3n2l s GLU 64 Ca 0.56 0.89 -0.14 0.00 -2.50 0.00 0.00 54.97 53.79 3n2l s GLU 64 Cb -0.26 -3.34 0.02 0.00 0.00 0.00 0.00 34.13 30.55 3n2l s GLU 64 CO 0.27 0.36 0.31 -0.59 0.02 0.00 0.00 175.26 175.63 3n2l s PHE 65 N -0.25 -0.09 -0.15 5.30 -0.71 -1.26 -4.90 117.98 115.92 3n2l s PHE 65 Ca 0.34 -0.12 0.17 0.00 -1.04 0.00 0.00 56.93 56.29 3n2l s PHE 65 Cb -0.19 0.11 -0.24 0.00 -1.21 0.00 0.00 43.02 41.48 3n2l s PHE 65 CO 0.20 -0.55 0.14 -0.25 -1.34 0.00 0.00 175.22 173.41 3n2l n ASP 66 N 0.31 0.45 -3.83 1.98 8.00 0.10 -4.98 116.55 118.60 3n2l n ASP 66 Ca -0.17 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 3n2l n ASP 66 Cb 0.61 1.14 -0.15 0.00 -0.02 0.00 0.00 41.12 42.70 3n2l n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n2l s VAL 67 N -2.63 -0.01 -0.26 2.53 1.01 -1.01 -4.04 120.40 115.99 3n2l s VAL 67 Ca -0.09 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 3n2l s VAL 67 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.34 3n2l s VAL 67 CO 0.77 0.05 0.26 -0.22 0.00 0.00 0.00 175.10 175.96 3n2l s LEU 68 N 0.51 4.07 -0.05 3.92 2.96 -0.47 -1.24 118.68 128.38 3n2l s LEU 68 Ca -0.04 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 3n2l s LEU 68 Cb -0.06 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 3n2l s LEU 68 CO -0.01 -0.06 -0.20 0.12 -1.32 0.00 0.00 176.35 174.87 3n2l s PHE 69 N 1.61 2.54 -0.20 5.38 5.36 -0.26 -1.03 117.98 131.38 3n2l s PHE 69 Ca 0.11 -0.44 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 3n2l s PHE 69 Cb -0.15 -1.61 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 3n2l s PHE 69 CO 0.09 -0.03 -0.17 0.20 -1.46 0.00 0.00 175.22 173.85 3n2l s GLY 70 N -0.43 1.45 -0.03 13.12 0.00 -0.43 -1.55 107.32 119.44 3n2l s GLY 70 Ca 0.05 -1.29 -0.30 0.00 0.00 0.00 0.00 44.72 43.18 3n2l s GLY 70 CO 0.01 0.34 1.23 -4.14 0.00 0.00 0.00 173.10 170.54 3n2l s PRO 71 N 1.29 4.35 0.35 2.90 0.02 -1.26 -3.84 135.00 138.81 3n2l s PRO 71 Ca 0.03 1.72 -0.27 0.00 0.02 0.00 0.00 61.00 62.51 3n2l s PRO 71 Cb -0.14 -3.54 -0.12 0.00 0.02 0.00 0.00 34.50 30.72 3n2l s PRO 71 CO -0.11 -0.44 1.06 0.00 -0.33 0.00 0.00 177.00 177.18 3n2l n ALA 72 N 5.07 0.23 -0.11 -1.55 0.00 -1.26 -1.52 120.51 121.38 3n2l n ALA 72 Ca 0.11 0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 3n2l n ALA 72 Cb 0.46 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 3n2l n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3n2l n TYR 73 N -0.03 0.00 0.30 0.00 4.02 -1.26 -4.70 117.16 115.49 3n2l n TYR 73 Ca 0.08 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.14 3n2l n TYR 73 Cb 0.36 -0.81 0.95 0.00 -0.02 0.00 0.00 39.34 39.82 3n2l n TYR 73 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3n2l h LYS 74 N -0.02 0.00 0.00 -0.72 1.57 -1.97 -0.38 116.57 115.04 3n2l h LYS 74 Ca -0.47 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 3n2l h LYS 74 Cb 1.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 3n2l h LYS 74 CO -0.08 0.00 -0.24 0.78 -0.57 0.00 0.00 179.45 179.34 3n2l h GLY 75 N 0.00 0.00 0.78 3.86 0.00 -1.53 -3.17 103.07 103.01 3n2l h GLY 75 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3n2l h GLY 75 CO -0.00 0.00 -0.36 -2.22 0.00 0.00 0.00 176.54 173.96 3n2l h ILE 76 N 0.00 0.05 -0.23 2.60 2.04 -1.21 0.83 117.51 121.58 3n2l h ILE 76 Ca -0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3n2l h ILE 76 Cb 0.64 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3n2l h ILE 76 CO 0.03 0.01 0.03 1.55 0.00 0.00 0.00 178.15 179.77 3n2l h PRO 77 N -1.24 0.33 -0.12 2.37 0.13 -1.71 -1.61 132.00 130.16 3n2l h PRO 77 Ca -0.10 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 3n2l h PRO 77 Cb 0.78 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3n2l h PRO 77 CO 0.17 0.34 0.04 0.82 -0.23 0.00 0.00 178.00 179.14 3n2l h ILE 78 N 0.33 1.18 -0.69 -3.56 2.04 -1.50 -0.95 117.51 114.36 3n2l h ILE 78 Ca 0.08 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3n2l h ILE 78 Cb 0.18 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3n2l h ILE 78 CO 0.00 0.16 0.26 0.00 0.00 0.00 0.00 178.15 178.57 3n2l h ALA 79 N 0.85 1.17 0.38 1.87 0.00 -0.55 -1.00 119.26 121.98 3n2l h ALA 79 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3n2l h ALA 79 Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3n2l h ALA 79 CO -0.00 0.60 -0.18 1.15 0.00 0.00 0.00 179.25 180.81 3n2l h THR 80 N 1.00 0.63 -0.07 0.00 2.02 -1.17 0.22 112.91 115.54 3n2l h THR 80 Ca 0.23 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 3n2l h THR 80 Cb 0.21 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3n2l h THR 80 CO -0.02 0.04 -0.25 0.00 0.37 0.00 0.00 175.52 175.66 3n2l h THR 81 N -0.63 1.21 -0.31 3.16 1.03 -1.06 -2.00 112.91 114.32 3n2l h THR 81 Ca -0.05 -1.00 -0.07 0.00 -0.01 0.00 0.00 66.41 65.28 3n2l h THR 81 Cb 0.46 1.44 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 3n2l h THR 81 CO 0.09 0.30 -0.07 0.74 -0.01 0.00 0.00 175.52 176.56 3n2l h THR 82 N 0.11 1.28 -0.84 0.00 2.02 -0.97 -0.60 112.91 113.91 3n2l h THR 82 Ca 0.02 -1.12 0.04 0.00 0.77 0.00 0.00 66.41 66.12 3n2l h THR 82 Cb 0.51 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 3n2l h THR 82 CO 0.04 0.36 0.54 0.00 0.37 0.00 0.00 175.52 176.82 3n2l h ALA 83 N 0.79 1.12 -0.13 6.16 0.00 -0.25 -0.34 119.26 126.62 3n2l h ALA 83 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3n2l h ALA 83 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3n2l h ALA 83 CO 0.03 0.36 0.03 0.28 0.00 0.00 0.00 179.25 179.95 3n2l h VAL 84 N 1.04 1.21 -0.55 0.00 2.07 -1.26 -2.52 116.25 116.24 3n2l h VAL 84 Ca 0.34 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3n2l h VAL 84 Cb 0.03 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3n2l h VAL 84 CO -0.12 0.19 0.23 0.00 0.02 0.00 0.00 177.57 177.89 3n2l h ALA 85 N 0.81 1.37 -0.64 1.67 0.00 -0.76 -1.67 119.26 120.04 3n2l h ALA 85 Ca 0.04 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3n2l h ALA 85 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3n2l h ALA 85 CO 0.00 0.48 0.07 -0.07 0.00 0.00 0.00 179.25 179.73 3n2l h LEU 86 N 0.79 1.04 -0.03 0.00 3.38 -0.95 -0.11 115.31 119.42 3n2l h LEU 86 Ca 0.19 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3n2l h LEU 86 Cb 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3n2l h LEU 86 CO -0.02 1.05 -0.21 0.00 0.09 0.00 0.00 178.44 179.35 3n2l h ALA 87 N 1.06 0.07 0.00 1.53 0.00 -0.96 0.18 119.26 121.15 3n2l h ALA 87 Ca 0.19 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 3n2l h ALA 87 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3n2l h ALA 87 CO 0.02 0.06 -0.97 -0.44 0.00 0.00 0.00 179.25 177.92 3n2l h ASP 88 N -0.38 0.02 0.00 0.00 3.32 -1.34 -3.16 116.42 114.88 3n2l h ASP 88 Ca -0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3n2l h ASP 88 Cb 0.88 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3n2l h ASP 88 CO 0.04 0.97 -0.98 1.41 -1.72 0.00 0.00 179.24 178.97 3n2l n HIS 89 N -3.40 0.00 -0.37 4.55 8.25 -0.06 -4.67 115.22 119.52 3n2l n HIS 89 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3n2l n HIS 89 Cb 0.91 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.90 3n2l n HIS 89 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3n2l n HIS 90 N -1.55 0.00 -2.70 4.41 8.25 -0.89 -5.00 115.22 117.73 3n2l n HIS 90 Ca 0.00 -0.23 -0.17 0.00 -0.26 0.00 0.00 57.72 57.06 3n2l n HIS 90 Cb 0.22 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 3n2l n HIS 90 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3n2l n ASP 91 N -0.23 -4.38 -4.38 0.41 4.64 -0.90 -4.95 116.55 106.76 3n2l n ASP 91 Ca 0.00 -0.01 -0.38 0.00 -1.38 0.00 0.00 54.79 53.02 3n2l n ASP 91 Cb 0.27 -3.66 -0.12 0.00 -1.04 0.00 0.00 41.12 36.57 3n2l n ASP 91 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3n2l s VAL 92 N -2.80 4.16 -0.69 5.18 1.01 0.00 -4.94 120.40 122.32 3n2l s VAL 92 Ca 0.12 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3n2l s VAL 92 Cb -0.06 -3.13 0.18 0.00 0.00 0.00 0.00 36.38 33.37 3n2l s VAL 92 CO 0.15 0.09 0.58 -0.62 0.00 0.00 0.00 175.10 175.30 3n2l s ASP 93 N 1.54 6.05 -0.13 3.32 3.68 -1.26 -2.02 116.67 127.85 3n2l s ASP 93 Ca 0.03 -2.58 -0.07 0.00 2.13 0.00 0.00 52.55 52.06 3n2l s ASP 93 Cb -0.17 -2.06 -0.04 0.00 -1.45 0.00 0.00 42.92 39.20 3n2l s ASP 93 CO 0.04 -0.54 0.13 0.28 0.13 0.00 0.00 175.17 175.21 3n2l s THR 94 N 0.34 5.44 0.68 1.71 -1.32 -1.26 -5.06 115.64 116.16 3n2l s THR 94 Ca 0.15 0.18 -0.17 0.00 -1.21 0.00 0.00 61.69 60.64 3n2l s THR 94 Cb -0.17 -3.38 0.01 0.00 -1.51 0.00 0.00 72.50 67.45 3n2l s THR 94 CO -0.05 0.59 1.26 -2.65 -2.21 0.00 0.00 174.62 171.56 3n2l n PRO 95 N 2.20 0.92 -4.34 7.08 -0.02 -1.26 -4.86 135.00 134.72 3n2l n PRO 95 Ca -0.19 0.37 -0.18 0.00 -2.02 0.00 0.00 63.50 61.49 3n2l n PRO 95 Cb 0.55 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 3n2l n PRO 95 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3n2l s TYR 96 N -1.53 1.60 -0.05 6.00 -0.85 -1.26 -1.37 117.35 119.89 3n2l s TYR 96 Ca 0.81 -0.88 -0.30 0.00 -0.52 0.00 0.00 57.07 56.18 3n2l s TYR 96 Cb -0.36 -0.92 0.07 0.00 0.38 0.00 0.00 41.96 41.12 3n2l s TYR 96 CO 0.43 0.02 0.65 0.00 -1.52 0.00 0.00 175.55 175.13 3n2l s PHE 98 N -1.21 0.65 0.21 0.00 -0.12 0.08 -1.32 117.98 116.27 3n2l s PHE 98 Ca -0.11 -1.05 0.07 0.00 -0.05 0.00 0.00 56.93 55.79 3n2l s PHE 98 Cb -0.00 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 3n2l s PHE 98 CO 0.09 -0.55 0.13 0.54 -0.05 0.00 0.00 175.22 175.38 3n2l s ASN 99 N -3.00 5.33 -0.13 1.98 4.22 -1.25 -0.57 114.94 121.52 3n2l s ASN 99 Ca 0.19 -0.27 -0.15 0.00 -2.14 0.00 0.00 52.86 50.49 3n2l s ASN 99 Cb 0.06 -1.31 -0.05 0.00 1.28 0.00 0.00 41.25 41.24 3n2l s ASN 99 CO -0.01 0.02 0.35 -0.13 -2.04 0.00 0.00 177.10 175.29 3n2l s ARG 100 N -3.46 4.21 -1.53 3.55 0.52 -1.26 -4.12 118.95 116.86 3n2l s ARG 100 Ca 0.31 0.22 -0.09 0.00 -0.52 0.00 0.00 55.73 55.65 3n2l s ARG 100 Cb -0.09 -3.39 -0.08 0.00 0.52 0.00 0.00 34.95 31.90 3n2l s ARG 100 CO 0.23 0.29 2.85 1.17 0.02 0.00 0.00 175.30 179.86 3n2l n LYS 101 N 3.33 3.48 0.00 3.54 4.81 -1.26 -4.97 118.16 127.09 3n2l n LYS 101 Ca -0.11 -2.09 0.00 0.00 -0.87 0.00 0.00 58.31 55.23 3n2l n LYS 101 Cb 0.52 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.82 3n2l n LYS 101 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3n2l n ASN 111 N 3.67 -0.99 -4.23 3.14 2.85 -1.26 -5.19 115.26 113.25 3n2l n ASN 111 Ca 0.74 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.93 3n2l n ASN 111 Cb 0.22 0.69 -0.16 0.00 1.24 0.00 0.00 39.78 41.77 3n2l n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3n2l s LEU 112 N -1.08 2.04 -0.08 1.20 1.43 -1.26 -4.28 118.68 116.65 3n2l s LEU 112 Ca 0.00 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3n2l s LEU 112 Cb 0.00 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 3n2l s LEU 112 CO 0.00 0.26 -0.23 -0.69 0.23 0.00 0.00 176.35 175.92 3n2l s VAL 113 N -0.51 2.16 0.00 -1.59 1.01 0.26 -4.99 120.40 116.75 3n2l s VAL 113 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3n2l s VAL 113 Cb -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3n2l s VAL 113 CO -0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3n2l n GLY 114 N 3.24 0.27 3.81 4.51 0.00 -1.26 -0.74 105.19 115.03 3n2l n GLY 114 Ca -0.18 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 3n2l n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n2l s SER 115 N -4.00 4.68 0.35 1.61 0.01 0.31 -4.98 113.70 111.68 3n2l s SER 115 Ca 0.00 1.31 -0.28 0.00 1.31 0.00 0.00 55.95 58.29 3n2l s SER 115 Cb 0.00 -2.07 -0.10 0.00 0.21 0.00 0.00 66.02 64.06 3n2l s SER 115 CO 0.00 -1.85 1.28 -0.54 0.41 0.00 0.00 173.24 172.54 3n2l s LYS 116 N -5.17 4.29 -1.45 12.44 -0.14 -1.26 -4.72 119.74 123.73 3n2l s LYS 116 Ca 0.60 2.15 -0.14 0.00 -1.36 0.00 0.00 55.97 57.22 3n2l s LYS 116 Cb -0.14 -3.00 0.02 0.00 -1.68 0.00 0.00 37.83 33.04 3n2l s LYS 116 CO 0.54 -0.22 2.27 -0.11 -0.76 0.00 0.00 175.35 177.08 3n2l n LEU 117 N 0.66 6.92 -4.86 3.17 7.94 -1.26 -4.94 117.00 124.64 3n2l n LEU 117 Ca 0.01 -4.12 -0.28 0.00 -1.11 0.00 0.00 56.01 50.51 3n2l n LEU 117 Cb 0.43 -1.64 -0.05 0.00 0.53 0.00 0.00 43.42 42.70 3n2l n LEU 117 CO 0.58 1.14 -0.17 -1.61 -1.11 0.00 0.00 177.39 176.21 3n2l s GLU 118 N 3.18 3.16 4.27 1.96 0.41 -1.26 -4.41 118.70 126.01 3n2l s GLU 118 Ca 0.49 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 3n2l s GLU 118 Cb 0.14 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 3n2l s GLU 118 CO -0.08 0.53 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 3n2l n GLY 119 N -0.19 1.20 3.67 -1.39 0.00 -1.26 -4.60 105.19 102.62 3n2l n GLY 119 Ca -0.07 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3n2l n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n2l s ARG 120 N 0.00 4.25 -0.21 1.61 0.52 -1.26 -1.02 118.95 122.84 3n2l s ARG 120 Ca 0.00 0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 55.96 3n2l s ARG 120 Cb 0.00 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 3n2l s ARG 120 CO 0.00 -0.27 -0.01 0.08 0.02 0.00 0.00 175.30 175.12 3n2l s VAL 121 N 2.00 3.74 -0.26 3.52 1.01 0.22 0.03 120.40 130.65 3n2l s VAL 121 Ca 0.33 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 3n2l s VAL 121 Cb -0.16 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 3n2l s VAL 121 CO 0.11 0.42 0.19 -0.32 0.00 0.00 0.00 175.10 175.50 3n2l s MET 122 N 1.25 4.01 0.11 2.72 1.75 -0.37 0.31 119.30 129.08 3n2l s MET 122 Ca 0.03 -0.28 -0.15 0.00 -1.25 0.00 0.00 55.69 54.05 3n2l s MET 122 Cb -0.15 -3.61 -0.07 0.00 2.84 0.00 0.00 34.83 33.85 3n2l s MET 122 CO 0.00 -0.08 0.53 -0.51 -0.65 0.00 0.00 175.02 174.32 3n2l s LEU 123 N 1.46 4.39 -0.07 4.11 1.43 0.40 -1.10 118.68 129.29 3n2l s LEU 123 Ca 0.08 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 3n2l s LEU 123 Cb -0.15 -3.10 0.01 0.00 0.03 0.00 0.00 46.19 42.98 3n2l s LEU 123 CO 0.08 0.17 -0.14 0.68 0.23 0.00 0.00 176.35 177.37 3n2l s VAL 124 N -1.35 1.25 0.20 -1.59 -7.23 -0.60 0.46 120.40 111.55 3n2l s VAL 124 Ca 0.34 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 59.95 3n2l s VAL 124 Cb -0.16 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.65 3n2l s VAL 124 CO 0.18 0.38 0.28 -0.67 -0.31 0.00 0.00 175.10 174.97 3n2l n ASP 125 N 3.79 -0.79 -0.08 4.85 4.64 -0.40 -4.26 116.55 124.31 3n2l n ASP 125 Ca -0.22 -2.03 -0.16 0.00 -1.38 0.00 0.00 54.79 51.00 3n2l n ASP 125 Cb 0.52 1.45 -0.11 0.00 -1.04 0.00 0.00 41.12 41.94 3n2l n ASP 125 CO 0.00 0.00 0.00 -2.24 -0.82 0.00 0.00 177.20 174.14 3n2l h ASP 126 N 1.09 0.00 -4.71 1.67 2.03 -1.89 -3.24 116.42 111.37 3n2l h ASP 126 Ca -0.15 -0.68 -0.28 0.00 -0.73 0.00 0.00 57.03 55.19 3n2l h ASP 126 Cb 0.66 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 38.95 3n2l h ASP 126 CO 0.21 1.16 -0.73 0.68 -1.03 0.00 0.00 179.24 179.52 3n2l s VAL 127 N -2.24 0.62 -0.74 4.15 -7.23 -1.26 -1.28 120.40 112.42 3n2l s VAL 127 Ca -0.22 -1.20 0.25 0.00 -1.81 0.00 0.00 61.98 59.00 3n2l s VAL 127 Cb 0.01 -0.78 0.15 0.00 0.56 0.00 0.00 36.38 36.32 3n2l s VAL 127 CO 0.58 -0.42 1.55 0.00 -0.31 0.00 0.00 175.10 176.50 3n2l n ILE 128 N 1.27 0.38 -2.39 -0.62 0.13 -1.26 -5.04 119.36 111.84 3n2l n ILE 128 Ca -0.21 -0.23 -0.36 0.00 -1.10 0.00 0.00 62.75 60.84 3n2l n ILE 128 Cb 0.55 -0.30 -0.03 0.00 -0.84 0.00 0.00 39.64 39.02 3n2l n ILE 128 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 3n2l s THR 129 N -3.11 3.80 -1.66 9.51 -4.23 -1.26 -4.99 115.64 113.69 3n2l s THR 129 Ca 0.09 -0.91 0.23 0.00 -1.18 0.00 0.00 61.69 59.92 3n2l s THR 129 Cb 0.14 -4.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.16 3n2l s THR 129 CO 0.66 -1.61 1.10 1.07 -0.54 0.00 0.00 174.62 175.30 3n2l n THR 132 N 7.14 0.00 -0.17 3.99 5.66 -1.26 -5.14 114.28 124.50 3n2l n THR 132 Ca 0.39 -0.16 0.06 0.00 -3.05 0.00 0.00 64.05 61.29 3n2l n THR 132 Cb 0.49 1.04 0.35 0.00 -1.55 0.00 0.00 70.33 70.66 3n2l n THR 132 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3n2l h ALA 133 N 3.57 1.68 -0.27 1.79 0.00 -1.99 0.12 119.26 124.16 3n2l h ALA 133 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3n2l h ALA 133 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3n2l h ALA 133 CO 0.00 0.21 -0.44 0.82 0.00 0.00 0.00 179.25 179.84 3n2l h ILE 134 N 0.76 1.29 -0.40 0.00 2.04 -1.94 -2.55 117.51 116.71 3n2l h ILE 134 Ca 0.30 -1.63 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 3n2l h ILE 134 Cb 0.21 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3n2l h ILE 134 CO -0.09 0.52 -0.12 -0.09 0.00 0.00 0.00 178.15 178.37 3n2l h ARG 135 N 0.56 0.78 -0.75 2.37 2.43 -1.58 -1.20 114.38 117.00 3n2l h ARG 135 Ca 0.04 -0.31 0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3n2l h ARG 135 Cb 0.99 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 3n2l h ARG 135 CO 0.09 0.93 0.39 0.93 -1.51 0.00 0.00 179.97 180.80 3n2l h GLU 136 N 0.59 0.63 -0.09 0.20 5.08 -0.84 -1.90 114.58 118.25 3n2l h GLU 136 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3n2l h GLU 136 Cb 0.65 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3n2l h GLU 136 CO 0.04 0.42 0.03 0.77 -1.00 0.00 0.00 179.01 179.27 3n2l h SER 137 N 0.65 0.13 -0.29 1.42 0.02 -1.10 0.44 113.55 114.81 3n2l h SER 137 Ca 0.37 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3n2l h SER 137 Cb 0.39 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3n2l h SER 137 CO -0.27 0.28 0.14 0.24 -1.14 0.00 0.00 176.83 176.07 3n2l h MET 138 N -0.03 0.48 -0.25 3.45 2.86 -1.04 0.11 114.93 120.50 3n2l h MET 138 Ca 0.03 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.42 3n2l h MET 138 Cb 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3n2l h MET 138 CO -0.00 0.40 -0.61 0.93 1.06 0.00 0.00 176.91 178.68 3n2l h GLU 139 N 0.48 0.87 -0.22 1.72 5.08 -1.15 -1.34 114.58 120.01 3n2l h GLU 139 Ca 0.12 -0.59 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 3n2l h GLU 139 Cb 0.10 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3n2l h GLU 139 CO -0.01 1.22 -0.28 1.25 -1.00 0.00 0.00 179.01 180.19 3n2l h LEU 140 N 0.64 0.43 -0.34 1.33 5.85 -0.14 0.66 115.31 123.74 3n2l h LEU 140 Ca -0.00 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 3n2l h LEU 140 Cb 1.23 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3n2l h LEU 140 CO 0.13 0.70 -0.19 0.40 -0.34 0.00 0.00 178.44 179.14 3n2l h ILE 141 N 0.37 1.29 -0.23 4.05 2.04 -0.69 -2.19 117.51 122.16 3n2l h ILE 141 Ca 0.05 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 3n2l h ILE 141 Cb 0.69 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3n2l h ILE 141 CO 0.05 0.43 0.02 1.56 0.00 0.00 0.00 178.15 180.22 3n2l h GLN 142 N 0.51 0.38 -0.88 2.37 4.20 -0.88 -2.64 115.11 118.18 3n2l h GLN 142 Ca 0.07 -0.11 0.11 0.00 0.06 0.00 0.00 58.65 58.78 3n2l h GLN 142 Cb 0.74 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 3n2l h GLN 142 CO 0.06 0.54 0.57 0.00 -0.67 0.00 0.00 178.83 179.32 3n2l h ALA 143 N 0.83 1.70 0.00 3.87 0.00 -0.84 0.31 119.26 125.13 3n2l h ALA 143 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3n2l h ALA 143 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3n2l h ALA 143 CO 0.01 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3n2l n ASN 144 N -4.54 0.00 -0.69 0.00 3.02 -0.83 -4.88 115.26 107.35 3n2l n ASN 144 Ca 0.15 -1.26 -0.08 0.00 -0.03 0.00 0.00 54.58 53.37 3n2l n ASN 144 Cb 0.35 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 3n2l n ASN 144 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3n2l n LYS 145 N -0.79 -0.59 -3.69 3.52 4.81 0.10 -4.97 118.16 116.55 3n2l n LYS 145 Ca 0.12 0.71 -0.20 0.00 -0.87 0.00 0.00 58.31 58.07 3n2l n LYS 145 Cb 0.06 -4.58 -0.02 0.00 0.02 0.00 0.00 35.03 30.51 3n2l n LYS 145 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3n2l s ALA 146 N -2.32 4.00 0.01 3.14 0.00 -1.02 -4.82 121.76 120.75 3n2l s ALA 146 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 3n2l s ALA 146 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 3n2l s ALA 146 CO 0.00 0.02 0.18 -0.51 0.00 0.00 0.00 175.76 175.45 3n2l s ASP 147 N -4.06 6.29 -0.38 0.00 1.01 -0.19 -4.38 116.67 114.96 3n2l s ASP 147 Ca 0.42 0.30 -0.20 0.00 0.71 0.00 0.00 52.55 53.78 3n2l s ASP 147 Cb -0.08 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.91 3n2l s ASP 147 CO 0.29 0.24 0.64 -0.76 0.21 0.00 0.00 175.17 175.78 3n2l s LEU 148 N -2.07 4.33 0.10 1.23 1.43 -1.26 0.69 118.68 123.12 3n2l s LEU 148 Ca 0.29 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 3n2l s LEU 148 Cb -0.13 -2.77 -0.22 0.00 0.03 0.00 0.00 46.19 43.11 3n2l s LEU 148 CO 0.21 -0.65 1.20 0.00 0.23 0.00 0.00 176.35 177.34 3n2l h ALA 149 N 8.60 0.20 0.00 4.21 0.00 -0.44 -3.41 119.26 128.42 3n2l h ALA 149 Ca -0.26 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.81 3n2l h ALA 149 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3n2l h ALA 149 CO 0.85 0.96 0.00 0.41 0.00 0.00 0.00 179.25 181.47 3n2l n GLY 150 N 1.35 -0.37 3.03 0.00 0.00 -1.19 -3.81 105.19 104.20 3n2l n GLY 150 Ca -0.07 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 3n2l n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n2l s VAL 151 N -2.00 1.15 -0.23 1.61 1.01 -0.04 -0.45 120.40 121.45 3n2l s VAL 151 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3n2l s VAL 151 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3n2l s VAL 151 CO 0.00 0.36 -0.05 -0.22 0.00 0.00 0.00 175.10 175.19 3n2l s LEU 152 N 0.65 3.00 0.31 3.92 2.96 0.17 -0.81 118.68 128.88 3n2l s LEU 152 Ca -0.15 -0.56 0.09 0.00 -0.22 0.00 0.00 54.13 53.30 3n2l s LEU 152 Cb -0.16 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3n2l s LEU 152 CO 0.04 -0.06 0.01 0.68 -1.32 0.00 0.00 176.35 175.70 3n2l s VAL 153 N 1.43 2.96 0.15 1.68 -7.23 0.52 -1.28 120.40 118.64 3n2l s VAL 153 Ca 0.04 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.15 3n2l s VAL 153 Cb -0.15 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.00 3n2l s VAL 153 CO -0.04 -0.27 1.59 0.00 -0.31 0.00 0.00 175.10 176.07 3n2l h ALA 154 N 1.83 0.67 -2.07 1.32 0.00 -1.21 -0.49 119.26 119.31 3n2l h ALA 154 Ca -0.43 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 3n2l h ALA 154 Cb 1.25 -0.18 -0.20 0.00 0.00 0.00 0.00 17.79 18.66 3n2l h ALA 154 CO 0.63 0.53 0.12 -1.50 0.00 0.00 0.00 179.25 179.03 3n2l s ILE 155 N -4.92 0.00 0.33 0.00 2.07 -1.25 -1.93 121.20 115.51 3n2l s ILE 155 Ca -0.12 -0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 58.98 3n2l s ILE 155 Cb 0.12 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.78 3n2l s ILE 155 CO 0.84 -0.02 0.59 1.51 -1.91 0.00 0.00 174.94 175.95 3n2l s ASP 156 N -0.64 0.35 -0.33 4.50 3.84 -1.15 -4.61 116.67 118.62 3n2l s ASP 156 Ca -0.07 -1.21 -0.08 0.00 -0.00 0.00 0.00 52.55 51.19 3n2l s ASP 156 Cb -0.02 0.71 0.02 0.00 -1.38 0.00 0.00 42.92 42.25 3n2l s ASP 156 CO 0.06 -1.40 0.13 -0.13 -0.00 0.00 0.00 175.17 173.83 3n2l s ARG 157 N -3.06 2.90 -1.16 2.11 0.52 -1.26 -1.35 118.95 117.64 3n2l s ARG 157 Ca 0.23 -1.00 -0.21 0.00 -0.52 0.00 0.00 55.73 54.23 3n2l s ARG 157 Cb -0.02 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.89 3n2l s ARG 157 CO 0.14 -0.58 1.90 1.04 0.02 0.00 0.00 175.30 177.83 3n2l n GLN 158 N 4.89 2.07 0.00 3.54 6.02 -1.26 -4.90 117.38 127.75 3n2l n GLN 158 Ca -0.13 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 3n2l n GLN 158 Cb 0.47 -3.50 0.00 0.00 1.02 0.00 0.00 30.24 28.22 3n2l n GLN 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3n2l n ALA 167 N 11.13 0.00 0.08 -1.58 0.00 -1.26 -5.13 120.51 123.76 3n2l n ALA 167 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 3n2l n ALA 167 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 3n2l n ALA 167 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3n2l h ILE 168 N 0.00 1.50 -0.79 0.00 3.07 -1.94 -3.00 117.51 116.36 3n2l h ILE 168 Ca 0.00 -2.80 0.02 0.00 1.55 0.00 0.00 64.86 63.63 3n2l h ILE 168 Cb 0.00 2.64 -0.04 0.00 -0.27 0.00 0.00 36.82 39.15 3n2l h ILE 168 CO 0.00 0.82 0.52 1.56 -1.05 0.00 0.00 178.15 180.00 3n2l h GLN 169 N 0.11 0.99 -0.25 0.16 4.20 -1.98 0.40 115.11 118.74 3n2l h GLN 169 Ca -0.07 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.38 3n2l h GLN 169 Cb 1.69 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.24 3n2l h GLN 169 CO 0.16 0.66 -0.62 1.05 -0.67 0.00 0.00 178.83 179.40 3n2l h GLU 170 N 1.02 0.85 -0.65 1.46 4.11 -1.99 0.60 114.58 119.98 3n2l h GLU 170 Ca 0.30 -0.58 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 3n2l h GLU 170 Cb -0.04 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3n2l h GLU 170 CO -0.08 1.21 0.20 0.28 0.07 0.00 0.00 179.01 180.69 3n2l h VAL 171 N 0.63 1.25 -0.39 -1.06 2.07 -1.28 -0.56 116.25 116.90 3n2l h VAL 171 Ca -0.01 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3n2l h VAL 171 Cb 1.24 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3n2l h VAL 171 CO 0.13 0.33 0.14 -0.33 0.02 0.00 0.00 177.57 177.87 3n2l h GLU 172 N 0.94 0.59 0.11 1.57 5.08 0.03 -1.32 114.58 121.59 3n2l h GLU 172 Ca 0.21 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3n2l h GLU 172 Cb 0.30 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3n2l h GLU 172 CO -0.01 0.58 -0.05 0.00 -1.00 0.00 0.00 179.01 178.53 3n2l h ARG 173 N 0.48 -0.14 -0.27 2.33 3.08 -0.77 0.11 114.38 119.19 3n2l h ARG 173 Ca 0.13 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.24 3n2l h ARG 173 Cb 0.22 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3n2l h ARG 173 CO -0.01 0.25 -0.07 -0.44 -1.07 0.00 0.00 179.97 178.62 3n2l h ASP 174 N -0.57 -0.27 -0.01 7.04 5.19 -1.09 -3.24 116.42 123.47 3n2l h ASP 174 Ca -0.02 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3n2l h ASP 174 Cb 0.46 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.14 3n2l h ASP 174 CO 0.03 -0.10 -0.31 0.49 -3.12 0.00 0.00 179.24 176.23 3n2l n PHE 175 N -5.24 0.00 -1.66 4.55 3.72 -0.50 -5.00 117.46 113.33 3n2l n PHE 175 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 3n2l n PHE 175 Cb 0.16 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 3n2l n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n2l n GLY 176 N 1.14 0.65 3.44 1.37 0.00 0.02 -4.80 105.19 107.01 3n2l n GLY 176 Ca 0.07 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 3n2l n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n2l s ALA 178 N -3.29 3.36 -0.21 0.00 0.00 -1.25 -4.28 121.76 116.08 3n2l s ALA 178 Ca 0.35 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 3n2l s ALA 178 Cb 0.08 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 3n2l s ALA 178 CO 0.15 0.33 -0.01 0.08 0.00 0.00 0.00 175.76 176.30 3n2l s VAL 179 N -1.79 3.71 0.22 0.00 1.01 -1.26 -0.86 120.40 121.44 3n2l s VAL 179 Ca 0.49 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.19 3n2l s VAL 179 Cb -0.13 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3n2l s VAL 179 CO 0.19 0.42 -0.18 0.27 0.00 0.00 0.00 175.10 175.80 3n2l s ILE 180 N 1.27 2.05 0.03 2.22 -4.36 0.01 -4.97 121.20 117.45 3n2l s ILE 180 Ca 0.04 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 3n2l s ILE 180 Cb -0.15 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 3n2l s ILE 180 CO 0.00 -0.44 -0.04 -0.94 0.24 0.00 0.00 174.94 173.77 3n2l s SER 181 N -3.20 0.39 0.15 4.36 1.04 -1.26 -0.35 113.70 114.82 3n2l s SER 181 Ca 0.24 -0.61 -0.15 0.00 0.48 0.00 0.00 55.95 55.91 3n2l s SER 181 Cb -0.04 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.22 3n2l s SER 181 CO 0.10 -0.34 1.73 0.40 0.98 0.00 0.00 173.24 176.10 3n2l h ILE 182 N 4.33 1.19 -4.05 -1.02 2.04 -0.69 -3.45 117.51 115.86 3n2l h ILE 182 Ca -0.33 -0.55 -0.23 0.00 1.00 0.00 0.00 64.86 64.75 3n2l h ILE 182 Cb 1.20 0.67 -0.15 0.00 -0.74 0.00 0.00 36.82 37.80 3n2l h ILE 182 CO 0.46 0.21 -0.66 0.68 0.00 0.00 0.00 178.15 178.84 3n2l s VAL 183 N -5.69 0.43 0.33 1.67 -7.23 -0.81 -4.80 120.40 104.30 3n2l s VAL 183 Ca -0.13 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 3n2l s VAL 183 Cb 0.11 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3n2l s VAL 183 CO 0.76 -0.52 0.11 -0.94 -0.31 0.00 0.00 175.10 174.20 3n2l s SER 184 N -3.10 4.64 0.21 4.85 1.04 -1.26 -2.95 113.70 117.13 3n2l s SER 184 Ca 0.22 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 55.80 3n2l s SER 184 Cb 0.07 -0.75 0.29 0.00 0.10 0.00 0.00 66.02 65.73 3n2l s SER 184 CO 0.02 -0.25 1.75 0.25 0.98 0.00 0.00 173.24 175.99 3n2l h LEU 185 N 1.61 0.27 -1.88 2.42 5.85 -1.61 0.11 115.31 122.08 3n2l h LEU 185 Ca -0.44 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.46 3n2l h LEU 185 Cb 1.25 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3n2l h LEU 185 CO 0.63 0.16 0.32 0.71 -0.34 0.00 0.00 178.44 179.91 3n2l h THR 186 N 0.44 0.84 -0.25 1.05 1.35 -1.95 0.15 112.91 114.54 3n2l h THR 186 Ca 0.31 -0.05 -0.14 0.00 -0.55 0.00 0.00 66.41 65.98 3n2l h THR 186 Cb 0.37 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 3n2l h THR 186 CO -0.30 0.03 -0.43 0.44 -0.25 0.00 0.00 175.52 175.01 3n2l h ASP 187 N 0.14 0.66 -0.61 5.36 3.32 -1.20 -2.19 116.42 121.89 3n2l h ASP 187 Ca 0.21 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3n2l h ASP 187 Cb 0.66 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3n2l h ASP 187 CO -0.03 1.00 0.10 -0.07 -1.72 0.00 0.00 179.24 178.52 3n2l h LEU 188 N 0.50 0.99 -0.16 1.55 3.38 -0.07 0.13 115.31 121.63 3n2l h LEU 188 Ca 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3n2l h LEU 188 Cb 0.95 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3n2l h LEU 188 CO 0.09 0.99 0.09 0.40 0.09 0.00 0.00 178.44 180.09 3n2l h ILE 189 N 0.97 1.10 -0.27 1.22 2.04 -1.10 -1.48 117.51 119.99 3n2l h ILE 189 Ca 0.19 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3n2l h ILE 189 Cb 0.42 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3n2l h ILE 189 CO 0.01 0.09 0.01 0.74 0.00 0.00 0.00 178.15 179.00 3n2l h THR 190 N 0.15 0.82 -0.56 -0.27 2.02 -1.14 0.18 112.91 114.11 3n2l h THR 190 Ca 0.05 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.31 3n2l h THR 190 Cb 0.07 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 3n2l h THR 190 CO -0.01 0.02 0.06 0.22 0.37 0.00 0.00 175.52 176.18 3n2l h TYR 191 N 0.09 0.07 -0.03 3.16 3.20 -0.42 0.22 116.97 123.26 3n2l h TYR 191 Ca 0.13 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3n2l h TYR 191 Cb 0.16 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3n2l h TYR 191 CO -0.20 -0.08 -0.49 -0.07 -1.64 0.00 0.00 178.16 175.67 3n2l h LEU 192 N 0.18 0.09 -0.45 2.82 3.38 -0.24 -2.62 115.31 118.48 3n2l h LEU 192 Ca 0.29 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 3n2l h LEU 192 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3n2l h LEU 192 CO -0.42 0.58 -0.40 -0.33 0.09 0.00 0.00 178.44 177.95 3n2l h GLU 193 N 0.07 0.85 -0.02 1.13 5.08 0.04 -3.51 114.58 118.22 3n2l h GLU 193 Ca 0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3n2l h GLU 193 Cb 0.90 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3n2l h GLU 193 CO 0.07 1.09 0.00 1.04 -1.00 0.00 0.00 179.01 180.21