#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 3.28 0.30 3.17 -0.14 -1.26 -4.86 119.74 120.23 3n2l s LYS 3 Ca 0.00 1.73 0.05 0.00 -1.36 0.00 0.00 55.97 56.39 3n2l s LYS 3 Cb 0.00 -2.05 0.77 0.00 -1.68 0.00 0.00 37.83 34.87 3n2l s LYS 3 CO 0.00 -0.94 1.69 0.00 -0.76 0.00 0.00 175.35 175.35 3n2l h ALA 4 N 1.23 1.50 0.00 5.17 0.00 -2.05 -0.99 119.26 124.12 3n2l h ALA 4 Ca -0.50 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3n2l h ALA 4 Cb 1.27 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3n2l h ALA 4 CO 0.57 -0.36 -0.35 0.10 0.00 0.00 0.00 179.25 179.21 3n2l h TYR 5 N 0.40 0.00 -0.08 0.00 -0.00 -1.98 -0.25 116.97 115.06 3n2l h TYR 5 Ca 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 59.18 3n2l h TYR 5 Cb 1.13 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.86 3n2l h TYR 5 CO -0.12 0.35 -0.45 1.96 -0.00 0.00 0.00 178.16 179.90 3n2l h GLN 6 N 0.00 0.44 -0.48 0.10 4.20 -1.52 -1.14 115.11 116.72 3n2l h GLN 6 Ca -0.00 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 3n2l h GLN 6 Cb 0.77 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3n2l h GLN 6 CO 0.05 1.01 0.21 -0.09 -0.67 0.00 0.00 178.83 179.34 3n2l h ARG 7 N -0.01 0.70 -0.78 1.46 2.43 -1.20 -2.10 114.38 114.89 3n2l h ARG 7 Ca -0.03 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3n2l h ARG 7 Cb 1.11 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 3n2l h ARG 7 CO 0.09 0.61 0.41 0.93 -1.51 0.00 0.00 179.97 180.50 3n2l h GLU 8 N 0.63 1.10 -0.47 0.20 5.08 -1.08 -1.76 114.58 118.29 3n2l h GLU 8 Ca 0.16 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3n2l h GLU 8 Cb 0.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3n2l h GLU 8 CO -0.02 0.82 0.25 0.35 -1.00 0.00 0.00 179.01 179.42 3n2l h PHE 9 N 1.10 0.66 -0.47 4.33 3.57 -0.91 0.87 116.94 126.09 3n2l h PHE 9 Ca 0.27 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3n2l h PHE 9 Cb 0.06 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3n2l h PHE 9 CO 0.01 0.50 0.30 0.82 -2.23 0.00 0.00 178.31 177.71 3n2l h ILE 10 N 0.63 1.13 -0.57 1.41 2.04 -1.13 0.85 117.51 121.87 3n2l h ILE 10 Ca 0.17 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3n2l h ILE 10 Cb 0.07 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3n2l h ILE 10 CO -0.03 0.13 0.21 -0.33 0.00 0.00 0.00 178.15 178.14 3n2l h GLU 11 N 0.64 0.87 0.13 2.37 5.08 -0.93 -0.22 114.58 122.50 3n2l h GLU 11 Ca 0.17 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n2l h GLU 11 Cb -0.05 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3n2l h GLU 11 CO -0.04 0.76 -0.09 0.35 -1.00 0.00 0.00 179.01 179.00 3n2l h PHE 12 N 0.80 -0.22 -0.85 4.33 3.57 -0.61 0.94 116.94 124.91 3n2l h PHE 12 Ca 0.19 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3n2l h PHE 12 Cb 0.23 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 3n2l h PHE 12 CO 0.01 -0.14 0.56 0.00 -2.23 0.00 0.00 178.31 176.51 3n2l h ALA 13 N 0.66 1.09 -0.14 2.41 0.00 -0.70 -0.78 119.26 121.79 3n2l h ALA 13 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3n2l h ALA 13 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3n2l h ALA 13 CO 0.00 0.45 0.08 -0.07 0.00 0.00 0.00 179.25 179.72 3n2l h LEU 14 N 1.12 0.17 -0.46 0.00 3.38 -0.83 0.20 115.31 118.89 3n2l h LEU 14 Ca 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3n2l h LEU 14 Cb -0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3n2l h LEU 14 CO -0.08 0.17 0.30 -0.08 0.09 0.00 0.00 178.44 178.84 3n2l h GLU 15 N 0.15 0.61 -0.12 1.13 4.81 -0.20 -2.65 114.58 118.31 3n2l h GLU 15 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3n2l h GLU 15 Cb 0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3n2l h GLU 15 CO -0.01 0.42 0.00 1.63 -0.73 0.00 0.00 179.01 180.32 3n2l n LYS 16 N -4.76 1.46 -0.99 1.92 4.76 -0.36 -4.92 118.16 115.28 3n2l n LYS 16 Ca 0.02 -0.69 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 3n2l n LYS 16 Cb 0.03 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 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 -0.07 -0.15 -0.02 1.97 1.13 -0.85 -4.87 117.38 114.50 3n2l n GLN 17 Ca 0.14 0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 55.14 3n2l n GLN 17 Cb 0.22 -3.09 0.05 0.00 0.11 0.00 0.00 30.24 27.53 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 1.30 -3.31 5.09 2.07 -0.89 -3.42 116.25 117.10 3n2l h VAL 18 Ca 0.00 -1.70 -0.65 0.00 0.82 0.00 0.00 66.70 65.18 3n2l h VAL 18 Cb 0.08 1.64 -0.24 0.00 -1.52 0.00 0.00 31.29 31.25 3n2l h VAL 18 CO 0.00 0.54 -0.71 -0.22 0.02 0.00 0.00 177.57 177.19 3n2l s LEU 19 N -8.50 2.99 -0.00 2.57 2.96 -0.66 -1.29 118.68 116.75 3n2l s LEU 19 Ca -0.08 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3n2l s LEU 19 Cb 0.11 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.10 3n2l s LEU 19 CO 0.85 0.17 -0.04 -0.54 -1.32 0.00 0.00 176.35 175.47 3n2l s LYS 20 N 0.36 0.30 -0.09 1.98 1.02 0.13 -4.27 119.74 119.17 3n2l s LYS 20 Ca -0.07 -0.16 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 3n2l s LYS 20 Cb -0.15 -0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 36.85 3n2l s LYS 20 CO 0.04 0.07 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.46 3n2l s PHE 21 N -0.16 3.07 0.00 3.18 0.08 -1.26 -0.60 117.98 122.30 3n2l s PHE 21 Ca 0.01 0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.12 3n2l s PHE 21 Cb -0.02 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 3n2l s PHE 21 CO -0.00 0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.88 3n2l n GLY 22 N 2.40 -0.56 2.96 4.36 0.00 0.17 -4.99 105.19 109.53 3n2l n GLY 22 Ca -0.18 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 3n2l n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n2l s GLU 23 N -0.09 1.80 0.29 1.61 2.12 -1.26 -4.26 118.70 118.92 3n2l s GLU 23 Ca 0.00 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 54.99 3n2l s GLU 23 Cb 0.00 -1.73 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 3n2l s GLU 23 CO 0.00 -0.21 0.19 -0.06 -0.54 0.00 0.00 175.26 174.64 3n2l s PHE 24 N 1.49 1.56 -0.13 5.30 0.08 0.43 -4.96 117.98 121.74 3n2l s PHE 24 Ca 0.02 -1.47 -0.03 0.00 0.12 0.00 0.00 56.93 55.56 3n2l s PHE 24 Cb -0.13 -0.75 0.05 0.00 -0.57 0.00 0.00 43.02 41.62 3n2l s PHE 24 CO -0.07 -0.67 0.06 0.99 -0.10 0.00 0.00 175.22 175.44 3n2l s THR 25 N -3.67 0.06 -0.15 0.64 2.01 -1.26 0.17 115.64 113.43 3n2l s THR 25 Ca 0.38 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 3n2l s THR 25 Cb 0.04 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.96 3n2l s THR 25 CO 0.20 -0.09 -0.11 -0.07 -0.69 0.00 0.00 174.62 173.85 3n2l h LEU 26 N 8.39 0.00 0.00 4.42 3.38 -1.97 -3.47 115.31 126.06 3n2l h LEU 26 Ca -0.15 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3n2l h LEU 26 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3n2l h LEU 26 CO 0.26 0.87 0.00 0.54 0.09 0.00 0.00 178.44 180.19 3n2l n ARG 30 N -4.59 0.00 -3.16 1.13 3.00 -1.26 -5.14 116.66 106.64 3n2l n ARG 30 Ca -0.11 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.33 3n2l n ARG 30 Cb 0.32 -0.29 -0.06 0.00 0.00 0.00 0.00 32.46 32.44 3n2l n ARG 30 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3n2l s LYS 31 N -2.16 4.23 0.05 5.56 1.02 -1.26 -5.01 119.74 122.18 3n2l s LYS 31 Ca 0.00 0.57 0.03 0.00 0.02 0.00 0.00 55.97 56.60 3n2l s LYS 31 Cb 0.00 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 3n2l s LYS 31 CO 0.00 -0.17 0.01 0.45 -0.92 0.00 0.00 175.35 174.72 3n2l s SER 32 N 1.12 5.11 0.27 2.83 0.15 0.13 -4.89 113.70 118.41 3n2l s SER 32 Ca 0.28 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.98 3n2l s SER 32 Cb -0.16 -1.28 0.23 0.00 -1.71 0.00 0.00 66.02 63.10 3n2l s SER 32 CO 0.11 0.22 1.52 1.55 1.20 0.00 0.00 173.24 177.83 3n2l h PRO 33 N 3.81 0.00 -5.12 5.44 0.13 -1.87 0.12 132.00 134.52 3n2l h PRO 33 Ca -0.48 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 3n2l h PRO 33 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 3n2l h PRO 33 CO 0.59 0.59 -0.73 1.52 -0.23 0.00 0.00 178.00 179.75 3n2l s TYR 34 N -3.19 1.23 -0.05 1.56 -0.85 -1.26 0.42 117.35 115.21 3n2l s TYR 34 Ca 0.01 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 55.91 3n2l s TYR 34 Cb 0.10 -0.64 0.02 0.00 0.38 0.00 0.00 41.96 41.81 3n2l s TYR 34 CO 0.75 0.07 -0.08 0.12 -1.52 0.00 0.00 175.55 174.89 3n2l s PHE 35 N -2.71 1.04 -0.09 -3.49 5.36 0.23 -4.90 117.98 113.42 3n2l s PHE 35 Ca 0.11 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 3n2l s PHE 35 Cb -0.01 -0.83 0.02 0.00 -0.34 0.00 0.00 43.02 41.85 3n2l s PHE 35 CO 0.01 -0.23 -0.09 0.12 -1.46 0.00 0.00 175.22 173.57 3n2l s PHE 36 N 0.84 1.42 -0.32 10.12 5.36 -1.26 -0.69 117.98 133.44 3n2l s PHE 36 Ca -0.12 -0.62 -0.00 0.00 -0.96 0.00 0.00 56.93 55.22 3n2l s PHE 36 Cb -0.15 -1.13 0.14 0.00 -0.34 0.00 0.00 43.02 41.54 3n2l s PHE 36 CO 0.01 -0.40 0.28 1.21 -1.46 0.00 0.00 175.22 174.85 3n2l s ASN 37 N 1.28 2.05 0.61 6.13 2.47 -0.41 -5.03 114.94 122.05 3n2l s ASN 37 Ca -0.03 -1.29 0.40 0.00 0.42 0.00 0.00 52.86 52.36 3n2l s ASN 37 Cb -0.14 0.24 1.96 0.00 -1.45 0.00 0.00 41.25 41.86 3n2l s ASN 37 CO -0.03 -0.35 2.20 0.00 -3.72 0.00 0.00 177.10 175.19 3n2l h ALA 38 N 7.78 1.00 -0.22 1.71 0.00 -1.96 -2.67 119.26 124.89 3n2l h ALA 38 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3n2l h ALA 38 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3n2l h ALA 38 CO 0.31 0.00 0.34 0.78 0.00 0.00 0.00 179.25 180.68 3n2l h GLY 39 N 0.92 0.00 1.93 0.00 0.00 -1.96 0.95 103.07 104.91 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 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3n2l n LEU 40 N -3.46 0.00 -4.46 3.11 4.77 -1.01 -4.11 117.00 111.84 3n2l n LEU 40 Ca 0.03 0.47 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 3n2l n LEU 40 Cb 0.47 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3n2l n LEU 40 CO 0.23 -0.19 2.06 0.49 -1.33 0.00 0.00 177.39 178.65 3n2l n PHE 41 N -1.47 4.52 -1.46 -1.77 3.72 0.33 -4.68 117.46 116.65 3n2l n PHE 41 Ca 0.05 -2.87 0.07 0.00 -0.05 0.00 0.00 57.45 54.65 3n2l n PHE 41 Cb 0.19 -2.62 0.18 0.00 -0.94 0.00 0.00 39.48 36.30 3n2l n PHE 41 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3n2l n ASN 42 N 8.01 1.88 -4.39 4.37 0.23 -1.26 -4.59 115.26 119.52 3n2l n ASN 42 Ca 0.49 -3.58 -0.19 0.00 -0.53 0.00 0.00 54.58 50.77 3n2l n ASN 42 Cb 0.45 -0.49 -0.10 0.00 -2.08 0.00 0.00 39.78 37.56 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 -3.01 1.23 0.22 5.53 -4.23 -1.26 -5.03 115.64 109.09 3n2l s THR 43 Ca 0.36 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.74 3n2l s THR 43 Cb 0.34 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.84 3n2l s THR 43 CO -0.04 -0.22 1.76 1.23 -0.54 0.00 0.00 174.62 176.81 3n2l h GLY 44 N 2.32 0.97 1.47 3.99 0.00 -1.98 0.47 103.07 110.31 3n2l h GLY 44 Ca -0.39 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 46.60 3n2l h GLY 44 CO 0.67 0.03 -0.53 -0.09 0.00 0.00 0.00 176.54 176.61 3n2l h ARG 45 N 0.52 0.56 -0.13 4.80 2.43 -1.99 -0.15 114.38 120.41 3n2l h ARG 45 Ca 0.33 -0.34 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3n2l h ARG 45 Cb 0.37 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3n2l h ARG 45 CO -0.28 0.95 0.06 -0.44 -1.51 0.00 0.00 179.97 178.75 3n2l h ASP 46 N 0.43 0.08 -0.36 -3.80 3.32 -1.78 -1.23 116.42 113.08 3n2l h ASP 46 Ca 0.01 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3n2l h ASP 46 Cb 1.07 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 3n2l h ASP 46 CO 0.10 0.07 0.07 -0.07 -1.72 0.00 0.00 179.24 177.69 3n2l h LEU 47 N 0.13 0.00 -0.25 1.55 3.38 -0.70 0.54 115.31 119.96 3n2l h LEU 47 Ca 0.05 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3n2l h LEU 47 Cb 0.02 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3n2l h LEU 47 CO -0.04 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.52 3n2l h ALA 48 N 1.27 0.22 -0.31 1.53 0.00 -0.71 -1.76 119.26 119.51 3n2l h ALA 48 Ca 0.17 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3n2l h ALA 48 Cb 0.20 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3n2l h ALA 48 CO -0.23 -0.42 -0.46 0.00 0.00 0.00 0.00 179.25 178.14 3n2l h ARG 49 N 0.08 0.82 -0.69 0.00 3.08 -1.07 -2.99 114.38 113.61 3n2l h ARG 49 Ca 0.12 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 3n2l h ARG 49 Cb 0.15 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3n2l h ARG 49 CO -0.20 1.10 0.28 1.25 -1.07 0.00 0.00 179.97 181.33 3n2l h LEU 50 N 0.65 0.94 -1.39 3.04 5.85 -0.74 -2.34 115.31 121.31 3n2l h LEU 50 Ca 0.04 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3n2l h LEU 50 Cb 1.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3n2l h LEU 50 CO 0.10 0.83 0.14 1.23 -0.34 0.00 0.00 178.44 180.40 3n2l h GLY 51 N 1.07 0.58 1.91 3.75 0.00 -1.18 -1.78 103.07 107.43 3n2l h GLY 51 Ca 0.23 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 3n2l h GLY 51 CO -0.02 0.27 -0.82 3.21 0.00 0.00 0.00 176.54 179.17 3n2l h ARG 52 N 0.54 0.08 -0.23 4.80 3.08 -1.30 -1.26 114.38 120.09 3n2l h ARG 52 Ca 0.13 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.90 3n2l h ARG 52 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3n2l h ARG 52 CO -0.01 0.86 -0.62 0.74 -1.07 0.00 0.00 179.97 179.86 3n2l h PHE 53 N 0.05 1.01 0.10 3.04 0.04 -0.91 -1.15 116.94 119.12 3n2l h PHE 53 Ca -0.02 -0.39 -0.00 0.00 2.80 0.00 0.00 57.97 60.36 3n2l h PHE 53 Cb 1.44 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.41 3n2l h PHE 53 CO 0.01 1.20 -0.05 1.88 -0.60 0.00 0.00 178.31 180.76 3n2l h TYR 54 N 0.58 -0.12 -0.79 -0.55 -1.99 -1.32 -2.02 116.97 110.76 3n2l h TYR 54 Ca -0.01 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.76 3n2l h TYR 54 Cb 1.23 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.95 3n2l h TYR 54 CO 0.07 0.01 0.50 0.00 -0.00 0.00 0.00 178.16 178.74 3n2l h ALA 55 N 0.66 1.04 -0.86 3.88 0.00 -1.25 0.42 119.26 123.15 3n2l h ALA 55 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3n2l h ALA 55 Cb 0.19 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3n2l h ALA 55 CO 0.02 0.30 0.49 0.00 0.00 0.00 0.00 179.25 180.06 3n2l h ALA 56 N 1.34 1.10 -0.31 0.00 0.00 -1.10 -0.44 119.26 119.85 3n2l h ALA 56 Ca 0.32 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3n2l h ALA 56 Cb 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3n2l h ALA 56 CO -0.12 0.60 -0.37 0.00 0.00 0.00 0.00 179.25 179.36 3n2l h ALA 57 N 1.26 0.46 -0.58 0.00 0.00 -0.89 0.20 119.26 119.71 3n2l h ALA 57 Ca 0.31 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3n2l h ALA 57 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3n2l h ALA 57 CO -0.05 0.54 0.36 -0.07 0.00 0.00 0.00 179.25 180.03 3n2l h LEU 58 N 0.56 0.59 -0.44 0.00 3.38 -0.70 0.69 115.31 119.39 3n2l h LEU 58 Ca 0.04 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3n2l h LEU 58 Cb 0.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3n2l h LEU 58 CO 0.09 0.42 -0.18 0.58 0.09 0.00 0.00 178.44 179.43 3n2l h VAL 59 N 0.72 1.27 -0.05 1.22 2.07 -0.82 -2.60 116.25 118.06 3n2l h VAL 59 Ca 0.23 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 3n2l h VAL 59 Cb 0.00 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3n2l h VAL 59 CO -0.09 0.45 -0.25 -0.78 0.02 0.00 0.00 177.57 176.92 3n2l h ASP 60 N 0.73 0.08 0.73 0.57 3.58 -0.33 -2.79 116.42 119.00 3n2l h ASP 60 Ca 0.10 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 3n2l h ASP 60 Cb 0.74 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 3n2l h ASP 60 CO 0.06 0.34 -0.19 0.77 -2.88 0.00 0.00 179.24 177.34 3n2l h SER 61 N 0.08 0.00 0.00 2.28 4.64 -0.46 -3.46 113.55 116.62 3n2l h SER 61 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3n2l h SER 61 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3n2l h SER 61 CO 0.04 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3n2l n GLY 62 N -0.13 0.27 3.71 -0.77 0.00 -1.06 -4.96 105.19 102.25 3n2l n GLY 62 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.66 4.25 0.15 -0.61 1.01 -1.26 -4.99 121.20 118.10 3n2l s ILE 63 Ca 0.00 1.61 -0.27 0.00 0.00 0.00 0.00 60.65 61.98 3n2l s ILE 63 Cb 0.00 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 3n2l s ILE 63 CO 0.00 0.10 0.86 -1.61 0.00 0.00 0.00 174.94 174.29 3n2l s GLU 64 N 1.26 4.66 0.04 2.79 2.02 -1.26 -5.00 118.70 123.21 3n2l s GLU 64 Ca 0.57 1.29 -0.09 0.00 0.02 0.00 0.00 54.97 56.76 3n2l s GLU 64 Cb -0.27 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.66 3n2l s GLU 64 CO 0.28 0.43 0.19 -0.59 0.02 0.00 0.00 175.26 175.58 3n2l s PHE 65 N -0.72 0.06 -0.13 1.61 -0.71 -1.26 -4.90 117.98 111.93 3n2l s PHE 65 Ca 0.40 -0.28 0.15 0.00 -1.04 0.00 0.00 56.93 56.16 3n2l s PHE 65 Cb -0.23 -0.04 -0.21 0.00 -1.21 0.00 0.00 43.02 41.33 3n2l s PHE 65 CO 0.28 -0.42 0.12 -0.25 -1.34 0.00 0.00 175.22 173.62 3n2l n ASP 66 N 0.74 1.13 -3.91 1.98 8.00 0.11 -4.97 116.55 119.64 3n2l n ASP 66 Ca -0.19 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 3n2l n ASP 66 Cb 0.59 1.08 -0.14 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.55 0.09 -0.25 2.53 1.01 -0.80 -4.15 120.40 116.28 3n2l s VAL 67 Ca -0.07 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 3n2l s VAL 67 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 3n2l s VAL 67 CO 0.66 -0.07 0.13 -0.22 0.00 0.00 0.00 175.10 175.60 3n2l s LEU 68 N -0.28 3.86 -0.06 3.92 2.96 0.90 -1.08 118.68 128.89 3n2l s LEU 68 Ca -0.02 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 3n2l s LEU 68 Cb -0.02 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3n2l s LEU 68 CO -0.00 0.01 -0.24 0.12 -1.32 0.00 0.00 176.35 174.92 3n2l s PHE 69 N 1.35 2.47 -0.22 5.38 5.36 0.78 -0.25 117.98 132.85 3n2l s PHE 69 Ca 0.06 -0.75 0.01 0.00 -0.96 0.00 0.00 56.93 55.30 3n2l s PHE 69 Cb -0.15 -1.62 0.03 0.00 -0.34 0.00 0.00 43.02 40.95 3n2l s PHE 69 CO 0.06 -0.23 -0.14 0.20 -1.46 0.00 0.00 175.22 173.65 3n2l s GLY 70 N -0.11 1.53 0.35 13.12 0.00 -0.48 -1.33 107.32 120.42 3n2l s GLY 70 Ca -0.05 -1.46 -0.27 0.00 0.00 0.00 0.00 44.72 42.94 3n2l s GLY 70 CO 0.04 0.44 1.14 -4.14 0.00 0.00 0.00 173.10 170.59 3n2l s PRO 71 N 1.24 4.29 0.23 2.90 0.02 -1.26 -4.00 135.00 138.42 3n2l s PRO 71 Ca -0.01 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 3n2l s PRO 71 Cb -0.16 -2.86 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 3n2l s PRO 71 CO -0.08 -0.11 1.46 0.00 -0.33 0.00 0.00 177.00 177.94 3n2l s ALA 72 N -1.34 3.65 -0.13 -1.55 0.00 -1.26 -1.20 121.76 119.94 3n2l s ALA 72 Ca 0.52 1.34 0.08 0.00 0.00 0.00 0.00 51.96 53.90 3n2l s ALA 72 Cb -0.31 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.11 3n2l s ALA 72 CO 0.39 -0.75 -0.00 0.66 0.00 0.00 0.00 175.76 176.05 3n2l n TYR 73 N 2.64 0.00 0.30 0.00 4.02 -1.26 -4.79 117.16 118.06 3n2l n TYR 73 Ca 0.08 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.14 3n2l n TYR 73 Cb 0.40 -0.58 0.74 0.00 -0.02 0.00 0.00 39.34 39.88 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 0.00 0.00 0.00 -0.72 1.57 -1.97 -2.16 116.57 113.29 3n2l h LYS 74 Ca -0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3n2l h LYS 74 Cb 1.68 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 3n2l h LYS 74 CO -0.00 0.00 -0.06 0.78 -0.57 0.00 0.00 179.45 179.60 3n2l h GLY 75 N 1.71 0.00 0.95 3.86 0.00 -1.42 -3.35 103.07 104.83 3n2l h GLY 75 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3n2l h GLY 75 CO 0.00 0.00 -0.39 -2.22 0.00 0.00 0.00 176.54 173.93 3n2l h ILE 76 N 0.00 0.15 -0.59 2.60 2.04 -1.38 0.25 117.51 120.58 3n2l h ILE 76 Ca -0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3n2l h ILE 76 Cb 1.02 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3n2l h ILE 76 CO 0.00 0.01 0.37 1.55 0.00 0.00 0.00 178.15 180.08 3n2l h PRO 77 N -1.16 0.78 -0.05 2.37 0.13 -1.76 -0.77 132.00 131.55 3n2l h PRO 77 Ca -0.11 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3n2l h PRO 77 Cb 0.85 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 3n2l h PRO 77 CO 0.18 0.54 -0.00 0.82 -0.23 0.00 0.00 178.00 179.31 3n2l h ILE 78 N 0.80 1.27 -0.42 -3.56 2.04 -1.63 -0.48 117.51 115.54 3n2l h ILE 78 Ca 0.21 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3n2l h ILE 78 Cb -0.06 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3n2l h ILE 78 CO -0.04 0.22 0.26 0.00 0.00 0.00 0.00 178.15 178.59 3n2l h ALA 79 N 0.69 1.68 -0.03 1.87 0.00 -0.39 -1.66 119.26 121.42 3n2l h ALA 79 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3n2l h ALA 79 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3n2l h ALA 79 CO 0.00 0.29 -0.00 1.15 0.00 0.00 0.00 179.25 180.70 3n2l h THR 80 N 0.57 1.25 0.00 0.00 2.02 -0.58 -0.96 112.91 115.21 3n2l h THR 80 Ca 0.15 -0.76 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 3n2l h THR 80 Cb -0.04 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3n2l h THR 80 CO -0.03 0.20 -0.55 0.00 0.37 0.00 0.00 175.52 175.51 3n2l h THR 81 N -0.25 1.29 -0.17 3.16 1.03 -1.00 -1.53 112.91 115.44 3n2l h THR 81 Ca 0.01 -1.95 -0.10 0.00 -0.01 0.00 0.00 66.41 64.36 3n2l h THR 81 Cb 0.33 2.08 -0.00 0.00 -1.07 0.00 0.00 68.15 69.49 3n2l h THR 81 CO 0.00 0.54 -0.29 0.74 -0.01 0.00 0.00 175.52 176.50 3n2l h THR 82 N 0.00 1.35 -0.50 0.00 2.02 -1.25 -1.75 112.91 112.78 3n2l h THR 82 Ca -0.01 -1.53 -0.05 0.00 0.77 0.00 0.00 66.41 65.60 3n2l h THR 82 Cb 1.04 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 3n2l h THR 82 CO 0.07 0.46 0.12 0.00 0.37 0.00 0.00 175.52 176.54 3n2l h ALA 83 N 0.58 1.27 -0.43 6.16 0.00 -0.95 -1.35 119.26 124.55 3n2l h ALA 83 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3n2l h ALA 83 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3n2l h ALA 83 CO 0.07 0.51 0.09 0.28 0.00 0.00 0.00 179.25 180.19 3n2l h VAL 84 N 0.73 1.24 -0.34 0.00 2.07 -1.17 -2.46 116.25 116.31 3n2l h VAL 84 Ca 0.16 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3n2l h VAL 84 Cb 0.28 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3n2l h VAL 84 CO -0.00 0.29 0.16 0.00 0.02 0.00 0.00 177.57 178.04 3n2l h ALA 85 N 0.95 0.44 -0.84 1.67 0.00 -1.09 -0.07 119.26 120.32 3n2l h ALA 85 Ca 0.13 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3n2l h ALA 85 Cb 0.35 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3n2l h ALA 85 CO 0.00 0.01 0.52 -0.07 0.00 0.00 0.00 179.25 179.71 3n2l h LEU 86 N 0.41 0.82 0.13 0.00 3.38 -1.26 0.20 115.31 118.99 3n2l h LEU 86 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3n2l h LEU 86 Cb 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3n2l h LEU 86 CO -0.01 0.53 -0.06 0.00 0.09 0.00 0.00 178.44 178.99 3n2l h ALA 87 N 1.39 -0.17 -0.02 1.53 0.00 -0.93 0.17 119.26 121.24 3n2l h ALA 87 Ca 0.36 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 3n2l h ALA 87 Cb 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3n2l h ALA 87 CO -0.16 -0.35 -0.81 -0.44 0.00 0.00 0.00 179.25 177.49 3n2l h ASP 88 N -0.67 0.27 0.00 0.00 3.32 -0.96 -3.15 116.42 115.22 3n2l h ASP 88 Ca -0.02 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3n2l h ASP 88 Cb 0.50 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3n2l h ASP 88 CO 0.03 0.97 -0.70 1.41 -1.72 0.00 0.00 179.24 179.23 3n2l n HIS 89 N -3.71 0.00 -0.19 4.55 8.25 0.69 -4.65 115.22 120.16 3n2l n HIS 89 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3n2l n HIS 89 Cb 0.76 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.81 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 -1.38 0.00 -3.57 4.41 8.25 -0.63 -4.99 115.22 117.32 3n2l n HIS 90 Ca 0.01 -0.11 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 3n2l n HIS 90 Cb 0.17 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.11 -3.92 -4.21 0.41 2.03 -0.87 -4.95 116.55 104.93 3n2l n ASP 91 Ca 0.00 -0.54 -0.35 0.00 0.52 0.00 0.00 54.79 54.42 3n2l n ASP 91 Cb 0.12 -3.21 -0.14 0.00 -0.72 0.00 0.00 41.12 37.17 3n2l n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3n2l s VAL 92 N -3.05 3.18 -0.82 5.18 1.01 -0.05 -4.97 120.40 120.88 3n2l s VAL 92 Ca 0.49 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3n2l s VAL 92 Cb -0.26 -2.76 0.18 0.00 0.00 0.00 0.00 36.38 33.55 3n2l s VAL 92 CO 0.60 -0.03 0.84 -0.62 0.00 0.00 0.00 175.10 175.90 3n2l s ASP 93 N 1.32 6.66 -0.13 3.32 2.15 -1.26 -2.11 116.67 126.62 3n2l s ASP 93 Ca -0.03 -2.39 -0.09 0.00 0.43 0.00 0.00 52.55 50.48 3n2l s ASP 93 Cb -0.19 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 3n2l s ASP 93 CO -0.01 -0.75 0.17 0.28 -0.17 0.00 0.00 175.17 174.69 3n2l s THR 94 N 1.07 5.43 0.40 1.71 -1.32 -1.26 -5.06 115.64 116.60 3n2l s THR 94 Ca 0.20 0.28 -0.27 0.00 -1.21 0.00 0.00 61.69 60.70 3n2l s THR 94 Cb -0.11 -3.46 -0.11 0.00 -1.51 0.00 0.00 72.50 67.32 3n2l s THR 94 CO -0.07 0.57 1.34 -2.65 -2.21 0.00 0.00 174.62 171.59 3n2l n PRO 95 N 2.35 2.17 -4.30 7.08 -0.02 -1.26 -4.85 135.00 136.17 3n2l n PRO 95 Ca -0.18 0.77 -0.22 0.00 -2.02 0.00 0.00 63.50 61.85 3n2l n PRO 95 Cb 0.54 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.15 1.73 0.04 6.00 1.13 -1.26 -0.07 117.35 123.77 3n2l s TYR 96 Ca 0.58 -0.47 -0.12 0.00 -1.41 0.00 0.00 57.07 55.64 3n2l s TYR 96 Cb -0.51 -0.89 0.02 0.00 -1.10 0.00 0.00 41.96 39.47 3n2l s TYR 96 CO 0.60 0.27 0.27 0.00 -2.51 0.00 0.00 175.55 174.18 3n2l s PHE 98 N -2.44 -0.20 0.37 0.00 -0.12 -0.91 -1.38 117.98 113.30 3n2l s PHE 98 Ca -0.06 -0.04 0.07 0.00 -0.05 0.00 0.00 56.93 56.86 3n2l s PHE 98 Cb -0.01 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 3n2l s PHE 98 CO -0.03 -0.64 0.40 0.54 -0.05 0.00 0.00 175.22 175.44 3n2l s ASN 99 N -2.53 5.46 0.50 1.98 4.22 -1.26 -0.79 114.94 122.52 3n2l s ASN 99 Ca 0.00 -0.46 0.06 0.00 -2.14 0.00 0.00 52.86 50.32 3n2l s ASN 99 Cb 0.01 -0.89 0.06 0.00 1.28 0.00 0.00 41.25 41.71 3n2l s ASN 99 CO -0.09 -0.51 0.52 0.54 -2.04 0.00 0.00 177.10 175.52 3n2l n ARG 100 N -1.56 0.71 -3.26 3.55 1.74 -1.26 -4.32 116.66 112.27 3n2l n ARG 100 Ca 0.01 -2.95 -0.26 0.00 -0.77 0.00 0.00 57.85 53.88 3n2l n ARG 100 Cb 0.60 0.09 -0.07 0.00 -1.02 0.00 0.00 32.46 32.07 3n2l n ARG 100 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3n2l n LYS 101 N -1.86 2.45 0.00 5.56 5.02 -1.26 -4.94 118.16 123.13 3n2l n LYS 101 Ca 0.05 -4.51 0.00 0.00 -2.02 0.00 0.00 58.31 51.83 3n2l n LYS 101 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3n2l n LYS 101 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3n2l n ASN 111 N 0.59 -0.06 -3.93 4.39 5.15 -1.26 -5.27 115.26 114.86 3n2l n ASN 111 Ca 0.29 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.17 3n2l n ASN 111 Cb 0.43 0.68 -0.12 0.00 -0.53 0.00 0.00 39.78 40.23 3n2l n ASN 111 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3n2l s LEU 112 N -1.96 2.14 -0.10 1.20 1.43 -1.26 -4.41 118.68 115.70 3n2l s LEU 112 Ca 0.00 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3n2l s LEU 112 Cb 0.00 0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.25 3n2l s LEU 112 CO 0.00 -0.17 -0.13 -0.69 0.23 0.00 0.00 176.35 175.59 3n2l s VAL 113 N -0.82 3.07 0.00 -1.59 1.01 0.03 -5.00 120.40 117.10 3n2l s VAL 113 Ca -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3n2l s VAL 113 Cb -0.06 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3n2l s VAL 113 CO -0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3n2l n GLY 114 N 3.11 0.95 3.70 4.51 0.00 -1.26 -2.14 105.19 114.06 3n2l n GLY 114 Ca -0.18 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 3n2l n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3n2l s SER 115 N -4.00 3.26 0.48 1.61 0.15 -0.55 -5.01 113.70 109.65 3n2l s SER 115 Ca 0.00 1.56 -0.19 0.00 0.70 0.00 0.00 55.95 58.01 3n2l s SER 115 Cb 0.00 -2.22 -0.09 0.00 -1.71 0.00 0.00 66.02 62.00 3n2l s SER 115 CO 0.00 -2.78 1.00 -0.54 1.20 0.00 0.00 173.24 172.12 3n2l s LYS 116 N -4.87 3.92 -0.86 5.44 1.02 -1.26 -4.72 119.74 118.41 3n2l s LYS 116 Ca 0.64 1.18 -0.24 0.00 0.02 0.00 0.00 55.97 57.57 3n2l s LYS 116 Cb -0.19 -2.12 0.06 0.00 -0.52 0.00 0.00 37.83 35.05 3n2l s LYS 116 CO 0.58 -0.31 1.27 -0.51 -0.92 0.00 0.00 175.35 175.46 3n2l s LEU 117 N -3.61 3.74 0.01 3.17 1.43 -1.26 -4.95 118.68 117.21 3n2l s LEU 117 Ca 0.63 -1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3n2l s LEU 117 Cb -0.12 -2.52 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 3n2l s LEU 117 CO 0.22 -1.55 0.11 -0.70 0.23 0.00 0.00 176.35 174.66 3n2l s GLU 118 N 4.78 0.49 3.76 1.70 2.12 -1.26 -4.58 118.70 125.70 3n2l s GLU 118 Ca 0.37 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.18 3n2l s GLU 118 Cb -0.06 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.53 3n2l s GLU 118 CO 0.02 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3n2l n GLY 119 N 1.29 0.57 3.66 -1.50 0.00 -1.26 -4.58 105.19 103.36 3n2l n GLY 119 Ca -0.22 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 4.27 -0.23 1.61 0.52 -1.26 -1.26 118.95 122.59 3n2l s ARG 120 Ca 0.00 1.11 -0.08 0.00 -0.52 0.00 0.00 55.73 56.24 3n2l s ARG 120 Cb 0.00 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 3n2l s ARG 120 CO 0.00 -0.46 0.09 0.08 0.02 0.00 0.00 175.30 175.03 3n2l s VAL 121 N 2.60 4.63 -0.23 3.52 1.01 0.23 0.08 120.40 132.25 3n2l s VAL 121 Ca 0.40 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 3n2l s VAL 121 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3n2l s VAL 121 CO 0.10 0.36 0.12 -0.32 0.00 0.00 0.00 175.10 175.36 3n2l s MET 122 N 1.26 3.98 -0.18 2.72 1.75 -0.24 -0.11 119.30 128.48 3n2l s MET 122 Ca 0.05 -0.32 -0.07 0.00 -1.25 0.00 0.00 55.69 54.11 3n2l s MET 122 Cb -0.14 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.05 3n2l s MET 122 CO 0.04 0.07 0.05 -1.17 -0.65 0.00 0.00 175.02 173.36 3n2l s LEU 123 N 0.99 3.70 -0.05 4.11 0.20 -0.38 -0.16 118.68 127.09 3n2l s LEU 123 Ca 0.06 0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.96 3n2l s LEU 123 Cb -0.14 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 3n2l s LEU 123 CO 0.04 0.16 -0.19 0.68 -0.29 0.00 0.00 176.35 176.75 3n2l s VAL 124 N 0.43 2.62 0.30 1.68 -7.23 -0.44 -0.49 120.40 117.28 3n2l s VAL 124 Ca 0.02 -0.88 -0.16 0.00 -1.81 0.00 0.00 61.98 59.15 3n2l s VAL 124 Cb -0.13 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.84 3n2l s VAL 124 CO 0.01 0.58 0.65 -0.62 -0.31 0.00 0.00 175.10 175.41 3n2l s ASP 125 N -0.53 -0.03 -0.10 4.85 3.68 -0.54 -4.29 116.67 119.71 3n2l s ASP 125 Ca 0.07 -0.92 -0.26 0.00 2.13 0.00 0.00 52.55 53.58 3n2l s ASP 125 Cb -0.11 0.71 -0.22 0.00 -1.45 0.00 0.00 42.92 41.85 3n2l s ASP 125 CO 0.01 -1.37 0.86 -2.24 0.13 0.00 0.00 175.17 172.56 3n2l h ASP 126 N 2.08 -0.02 -5.17 -0.34 2.03 -1.85 -3.28 116.42 109.88 3n2l h ASP 126 Ca -0.25 -0.74 -0.05 0.00 -0.73 0.00 0.00 57.03 55.26 3n2l h ASP 126 Cb 1.25 0.01 -0.10 0.00 -0.83 0.00 0.00 39.33 39.65 3n2l h ASP 126 CO 0.32 0.77 -0.09 0.68 -1.03 0.00 0.00 179.24 179.89 3n2l s VAL 127 N -2.83 0.03 -0.26 4.15 -7.23 -1.26 -0.76 120.40 112.24 3n2l s VAL 127 Ca -0.16 -1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3n2l s VAL 127 Cb -0.01 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 35.16 3n2l s VAL 127 CO 0.62 -0.14 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.58 3n2l s ILE 128 N -3.93 2.71 0.00 -0.62 1.01 -1.26 -5.02 121.20 114.08 3n2l s ILE 128 Ca 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3n2l s ILE 128 Cb 0.00 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3n2l s ILE 128 CO 0.01 0.07 0.00 0.35 0.00 0.00 0.00 174.94 175.37 3n2l n THR 129 N 4.60 0.00 0.00 2.92 -2.24 -1.26 -4.57 114.28 113.73 3n2l n THR 129 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3n2l n THR 129 Cb 0.45 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3n2l n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n2l n ALA 133 N -1.89 0.00 -0.05 6.98 0.00 -1.26 -4.84 120.51 119.45 3n2l n ALA 133 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3n2l n ALA 133 Cb 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.67 3n2l n ALA 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3n2l n ILE 134 N 0.00 1.08 -0.32 0.00 5.41 -1.26 -4.45 119.36 119.82 3n2l n ILE 134 Ca 0.00 -0.75 0.06 0.00 1.00 0.00 0.00 62.75 63.06 3n2l n ILE 134 Cb 0.00 -0.46 0.21 0.00 -0.71 0.00 0.00 39.64 38.69 3n2l n ILE 134 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3n2l h ARG 135 N 0.00 0.79 -0.61 0.38 2.43 -2.03 -1.63 114.38 113.72 3n2l h ARG 135 Ca -0.35 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 58.84 3n2l h ARG 135 Cb 1.85 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 31.17 3n2l h ARG 135 CO 0.03 0.52 0.31 1.49 -1.51 0.00 0.00 179.97 180.81 3n2l h GLU 136 N 0.81 0.56 -0.17 0.20 4.81 -2.01 -1.69 114.58 117.10 3n2l h GLU 136 Ca 0.46 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.44 3n2l h GLU 136 Cb 0.51 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.77 3n2l h GLU 136 CO -0.29 0.37 -0.75 0.66 -0.73 0.00 0.00 179.01 178.27 3n2l h SER 137 N 0.58 0.92 -0.81 1.04 4.64 -1.62 -2.76 113.55 115.54 3n2l h SER 137 Ca 0.28 -0.59 0.06 0.00 -0.47 0.00 0.00 61.79 61.07 3n2l h SER 137 Cb 0.20 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 3n2l h SER 137 CO -0.20 1.39 0.53 0.24 -0.87 0.00 0.00 176.83 177.92 3n2l h MET 138 N 0.54 0.87 -0.12 4.77 2.86 -1.09 -0.93 114.93 121.83 3n2l h MET 138 Ca -0.04 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 3n2l h MET 138 Cb 1.37 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 3n2l h MET 138 CO 0.15 0.58 -0.47 1.49 1.06 0.00 0.00 176.91 179.72 3n2l h GLU 139 N 0.90 0.29 -0.25 1.72 4.81 -1.24 -0.20 114.58 120.60 3n2l h GLU 139 Ca 0.34 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3n2l h GLU 139 Cb 0.21 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3n2l h GLU 139 CO -0.12 0.70 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.45 3n2l h LEU 140 N 0.24 0.57 -0.16 1.64 3.38 -1.00 0.27 115.31 120.24 3n2l h LEU 140 Ca 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3n2l h LEU 140 Cb 0.91 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3n2l h LEU 140 CO 0.07 0.87 0.07 0.40 0.09 0.00 0.00 178.44 179.95 3n2l h ILE 141 N 0.46 1.13 -0.28 1.22 2.04 -0.49 -1.57 117.51 120.01 3n2l h ILE 141 Ca 0.05 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3n2l h ILE 141 Cb 0.82 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3n2l h ILE 141 CO 0.07 0.12 -0.13 1.56 0.00 0.00 0.00 178.15 179.77 3n2l h GLN 142 N 0.12 0.58 -0.82 2.37 1.08 -0.95 -0.59 115.11 116.91 3n2l h GLN 142 Ca 0.05 -0.25 0.14 0.00 -1.45 0.00 0.00 58.65 57.15 3n2l h GLN 142 Cb 0.12 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.44 3n2l h GLN 142 CO -0.01 0.82 0.40 0.00 -0.95 0.00 0.00 178.83 179.09 3n2l h ALA 143 N 0.75 1.21 0.00 3.87 0.00 -0.33 0.36 119.26 125.12 3n2l h ALA 143 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3n2l h ALA 143 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3n2l h ALA 143 CO 0.04 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.26 3n2l n ASN 144 N -4.91 0.00 -2.86 0.00 3.02 -0.60 -4.90 115.26 105.01 3n2l n ASN 144 Ca 0.16 -0.84 -0.21 0.00 -0.03 0.00 0.00 54.58 53.67 3n2l n ASN 144 Cb 0.43 -0.04 0.04 0.00 -0.61 0.00 0.00 39.78 39.59 3n2l n ASN 144 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n2l n LYS 145 N -1.04 -5.07 -2.56 3.52 5.02 0.13 -4.93 118.16 113.22 3n2l n LYS 145 Ca 0.22 0.81 -0.24 0.00 -2.02 0.00 0.00 58.31 57.08 3n2l n LYS 145 Cb 0.13 -5.52 0.11 0.00 -0.02 0.00 0.00 35.03 29.73 3n2l n LYS 145 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n2l s ALA 146 N -3.16 3.66 0.04 7.82 0.00 -0.30 -4.82 121.76 125.00 3n2l s ALA 146 Ca 0.33 -1.68 0.07 0.00 0.00 0.00 0.00 51.96 50.68 3n2l s ALA 146 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 3n2l s ALA 146 CO 0.41 -1.46 -0.17 0.34 0.00 0.00 0.00 175.76 174.88 3n2l s ASP 147 N -4.72 3.88 -0.47 0.00 -1.08 -0.39 -4.60 116.67 109.29 3n2l s ASP 147 Ca 0.66 -0.40 -0.21 0.00 -0.52 0.00 0.00 52.55 52.09 3n2l s ASP 147 Cb -0.06 -0.66 0.04 0.00 -1.46 0.00 0.00 42.92 40.79 3n2l s ASP 147 CO 0.44 0.26 0.67 -0.22 0.52 0.00 0.00 175.17 176.84 3n2l s LEU 148 N -1.44 4.60 0.14 -1.34 2.96 -1.26 0.76 118.68 123.10 3n2l s LEU 148 Ca 0.15 -0.52 0.10 0.00 -0.22 0.00 0.00 54.13 53.63 3n2l s LEU 148 Cb -0.11 -2.65 -0.14 0.00 0.50 0.00 0.00 46.19 43.79 3n2l s LEU 148 CO 0.05 -0.86 1.24 0.00 -1.32 0.00 0.00 176.35 175.46 3n2l h ALA 149 N 8.96 0.48 0.00 5.97 0.00 -0.83 -3.46 119.26 130.39 3n2l h ALA 149 Ca -0.26 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3n2l h ALA 149 Cb 1.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3n2l h ALA 149 CO 0.94 1.12 0.00 0.41 0.00 0.00 0.00 179.25 181.72 3n2l n GLY 150 N 1.34 0.32 2.75 0.00 0.00 -1.22 -4.83 105.19 103.55 3n2l n GLY 150 Ca -0.02 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 0.02 -0.13 1.61 1.01 -1.24 -1.25 120.40 118.42 3n2l s VAL 151 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3n2l s VAL 151 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.20 3n2l s VAL 151 CO 0.00 0.15 -0.22 -0.22 0.00 0.00 0.00 175.10 174.81 3n2l s LEU 152 N 1.52 2.14 0.36 3.92 2.96 0.36 -0.08 118.68 129.85 3n2l s LEU 152 Ca -0.03 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 3n2l s LEU 152 Cb -0.13 -1.44 -0.07 0.00 0.50 0.00 0.00 46.19 45.05 3n2l s LEU 152 CO -0.03 0.11 -0.03 0.68 -1.32 0.00 0.00 176.35 175.75 3n2l s VAL 153 N 0.66 1.97 0.02 1.68 -7.23 -0.33 -1.47 120.40 115.69 3n2l s VAL 153 Ca -0.11 -2.10 -0.22 0.00 -1.81 0.00 0.00 61.98 57.75 3n2l s VAL 153 Cb -0.16 -2.77 -0.16 0.00 0.56 0.00 0.00 36.38 33.84 3n2l s VAL 153 CO 0.02 -0.12 1.33 0.00 -0.31 0.00 0.00 175.10 176.02 3n2l h ALA 154 N 1.96 0.15 -3.51 1.32 0.00 -1.00 -2.44 119.26 115.74 3n2l h ALA 154 Ca -0.42 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 53.97 3n2l h ALA 154 Cb 1.24 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.74 3n2l h ALA 154 CO 0.74 -0.02 -0.72 -1.50 0.00 0.00 0.00 179.25 177.75 3n2l s ILE 155 N -4.34 0.09 -0.30 0.00 2.07 -1.26 -2.19 121.20 115.27 3n2l s ILE 155 Ca -0.15 -0.32 -0.04 0.00 -1.41 0.00 0.00 60.65 58.73 3n2l s ILE 155 Cb 0.04 -0.14 0.03 0.00 0.13 0.00 0.00 42.46 42.53 3n2l s ILE 155 CO 0.73 -0.15 0.03 -0.62 -1.91 0.00 0.00 174.94 173.03 3n2l s ASP 156 N -0.49 4.96 0.27 4.50 3.68 -0.47 -4.77 116.67 124.35 3n2l s ASP 156 Ca -0.05 -1.05 0.25 0.00 2.13 0.00 0.00 52.55 53.83 3n2l s ASP 156 Cb -0.03 -1.78 0.97 0.00 -1.45 0.00 0.00 42.92 40.62 3n2l s ASP 156 CO -0.00 -0.24 1.74 0.03 0.13 0.00 0.00 175.17 176.83 3n2l h ARG 157 N 8.11 0.00 -6.45 4.34 3.08 -1.94 -2.03 114.38 119.50 3n2l h ARG 157 Ca -0.26 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.30 3n2l h ARG 157 Cb 1.09 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 3n2l h ARG 157 CO 0.57 0.00 -0.87 1.04 -1.07 0.00 0.00 179.97 179.64 3n2l n GLN 158 N -2.32 -3.57 -4.36 0.04 6.02 -1.26 -4.48 117.38 107.45 3n2l n GLN 158 Ca 0.03 0.44 -0.25 0.00 -0.01 0.00 0.00 57.00 57.20 3n2l n GLN 158 Cb 0.28 -4.67 -0.09 0.00 1.02 0.00 0.00 30.24 26.78 3n2l n GLN 158 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3n2l s GLU 159 N -6.49 2.06 0.37 -1.09 2.02 -1.26 -5.04 118.70 109.28 3n2l s GLU 159 Ca 0.05 -1.83 0.03 0.00 0.02 0.00 0.00 54.97 53.25 3n2l s GLU 159 Cb -0.03 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 3n2l s GLU 159 CO 0.88 0.07 0.54 0.15 0.02 0.00 0.00 175.26 176.92 3n2l s LYS 160 N -3.74 3.16 0.00 1.61 1.02 -1.26 -4.90 119.74 115.63 3n2l s LYS 160 Ca 0.36 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.62 3n2l s LYS 160 Cb 0.02 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3n2l s LYS 160 CO 0.19 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 3n2l n GLY 161 N -1.80 1.88 3.02 -3.33 0.00 -1.26 -5.00 105.19 98.71 3n2l n GLY 161 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3n2l n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3n2l s SER 166 N -1.01 0.60 0.00 1.61 0.15 -1.26 -5.29 113.70 108.50 3n2l s SER 166 Ca 0.00 -0.51 -0.25 0.00 0.70 0.00 0.00 55.95 55.89 3n2l s SER 166 Cb 0.00 0.06 -0.18 0.00 -1.71 0.00 0.00 66.02 64.19 3n2l s SER 166 CO 0.00 -0.23 1.28 0.00 1.20 0.00 0.00 173.24 175.49 3n2l h ALA 167 N 4.62 -0.22 -0.22 5.45 0.00 -1.88 0.30 119.26 127.32 3n2l h ALA 167 Ca -0.34 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.40 3n2l h ALA 167 Cb 1.20 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3n2l h ALA 167 CO 0.41 -0.44 0.11 0.82 0.00 0.00 0.00 179.25 180.15 3n2l h ILE 168 N -0.59 0.99 -0.10 0.00 5.03 -1.95 -1.27 117.51 119.62 3n2l h ILE 168 Ca -0.02 -0.08 -0.10 0.00 -0.12 0.00 0.00 64.86 64.54 3n2l h ILE 168 Cb 0.44 0.74 -0.01 0.00 -3.03 0.00 0.00 36.82 34.96 3n2l h ILE 168 CO 0.04 0.04 -0.37 1.56 -0.68 0.00 0.00 178.15 178.74 3n2l h GLN 169 N 0.23 0.21 -0.69 2.37 4.20 -1.96 -0.73 115.11 118.74 3n2l h GLN 169 Ca 0.09 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3n2l h GLN 169 Cb 0.03 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3n2l h GLN 169 CO -0.06 0.56 0.25 1.49 -0.67 0.00 0.00 178.83 180.39 3n2l h GLU 170 N 0.18 1.06 -0.50 1.46 4.57 -0.46 0.12 114.58 121.01 3n2l h GLU 170 Ca 0.02 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 3n2l h GLU 170 Cb 0.74 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3n2l h GLU 170 CO 0.06 0.89 0.22 0.28 -1.18 0.00 0.00 179.01 179.28 3n2l h VAL 171 N 1.00 1.20 -0.65 0.32 2.07 -0.56 -0.48 116.25 119.15 3n2l h VAL 171 Ca 0.23 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3n2l h VAL 171 Cb 0.25 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3n2l h VAL 171 CO -0.01 0.23 0.31 -0.33 0.02 0.00 0.00 177.57 177.79 3n2l h GLU 172 N 0.66 0.93 -0.22 1.57 5.08 -0.60 -0.52 114.58 121.48 3n2l h GLU 172 Ca 0.17 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 3n2l h GLU 172 Cb 0.16 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3n2l h GLU 172 CO -0.02 0.75 -0.50 -0.09 -1.00 0.00 0.00 179.01 178.15 3n2l h ARG 173 N 0.89 0.73 0.03 2.33 1.12 -0.83 -0.64 114.38 118.02 3n2l h ARG 173 Ca 0.22 -0.49 -0.23 0.00 -1.11 0.00 0.00 59.98 58.38 3n2l h ARG 173 Cb 0.12 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 3n2l h ARG 173 CO -0.03 1.11 -1.07 -0.44 -3.11 0.00 0.00 179.97 176.43 3n2l h ASP 174 N 0.46 0.08 0.00 -3.80 3.45 -0.97 -3.37 116.42 112.27 3n2l h ASP 174 Ca 0.00 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.37 3n2l h ASP 174 Cb 1.11 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 3n2l h ASP 174 CO 0.11 1.07 -0.24 0.49 -1.57 0.00 0.00 179.24 179.11 3n2l n PHE 175 N -3.38 0.00 -1.06 4.55 3.72 -0.21 -5.04 117.46 116.04 3n2l n PHE 175 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 3n2l n PHE 175 Cb 0.96 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 0.43 3.26 1.37 0.00 -0.25 -4.96 105.19 106.18 3n2l n GLY 176 Ca 0.01 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.75 3.33 -0.12 0.00 0.00 -1.26 -4.12 121.76 118.84 3n2l s ALA 178 Ca 0.08 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 3n2l s ALA 178 Cb -0.09 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3n2l s ALA 178 CO 0.01 0.15 0.44 0.08 0.00 0.00 0.00 175.76 176.44 3n2l s VAL 179 N -1.00 5.21 0.31 0.00 1.01 -1.26 -3.65 120.40 121.02 3n2l s VAL 179 Ca 0.42 0.86 0.09 0.00 0.00 0.00 0.00 61.98 63.36 3n2l s VAL 179 Cb -0.26 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3n2l s VAL 179 CO 0.32 0.35 0.04 0.27 0.00 0.00 0.00 175.10 176.08 3n2l s ILE 180 N 0.53 3.06 0.03 2.22 -4.36 0.88 -4.99 121.20 118.57 3n2l s ILE 180 Ca 0.24 -1.88 -0.02 0.00 -0.26 0.00 0.00 60.65 58.72 3n2l s ILE 180 Cb -0.15 -2.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.69 3n2l s ILE 180 CO 0.09 -0.27 0.01 -0.94 0.24 0.00 0.00 174.94 174.07 3n2l s SER 181 N -3.73 0.25 0.06 4.36 1.04 -1.26 -1.19 113.70 113.22 3n2l s SER 181 Ca 0.34 -0.56 -0.24 0.00 0.48 0.00 0.00 55.95 55.96 3n2l s SER 181 Cb -0.03 0.16 -0.17 0.00 0.10 0.00 0.00 66.02 66.08 3n2l s SER 181 CO 0.20 -0.40 1.60 0.40 0.98 0.00 0.00 173.24 176.02 3n2l h ILE 182 N 4.14 1.03 -4.12 -1.02 2.04 -0.94 -3.46 117.51 115.18 3n2l h ILE 182 Ca -0.32 -0.30 -0.42 0.00 1.00 0.00 0.00 64.86 64.82 3n2l h ILE 182 Cb 1.19 1.23 -0.14 0.00 -0.74 0.00 0.00 36.82 38.36 3n2l h ILE 182 CO 0.47 0.07 -0.55 0.68 0.00 0.00 0.00 178.15 178.83 3n2l s VAL 183 N -5.65 0.25 0.35 1.67 -7.23 -1.02 -4.83 120.40 103.93 3n2l s VAL 183 Ca -0.14 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 3n2l s VAL 183 Cb 0.05 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 3n2l s VAL 183 CO 0.65 0.00 0.37 -0.94 -0.31 0.00 0.00 175.10 174.87 3n2l s SER 184 N -3.37 1.48 0.29 4.85 1.04 -1.26 -1.37 113.70 115.35 3n2l s SER 184 Ca 0.36 -1.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.09 3n2l s SER 184 Cb 0.04 0.61 0.44 0.00 0.10 0.00 0.00 66.02 67.22 3n2l s SER 184 CO 0.19 -1.18 1.93 0.25 0.98 0.00 0.00 173.24 175.41 3n2l h LEU 185 N 2.10 0.98 -1.89 2.42 5.85 -1.59 -1.89 115.31 121.29 3n2l h LEU 185 Ca -0.26 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3n2l h LEU 185 Cb 1.23 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3n2l h LEU 185 CO 0.37 0.67 -0.12 0.74 -0.34 0.00 0.00 178.44 179.76 3n2l h THR 186 N 1.14 0.59 0.20 1.05 2.02 -1.92 -1.89 112.91 114.09 3n2l h THR 186 Ca 0.36 -0.54 -0.31 0.00 0.77 0.00 0.00 66.41 66.69 3n2l h THR 186 Cb 0.02 1.35 0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3n2l h THR 186 CO -0.11 0.12 -1.43 0.44 0.37 0.00 0.00 175.52 174.91 3n2l h ASP 187 N 0.00 0.65 -0.73 4.18 3.45 -1.76 -2.16 116.42 120.05 3n2l h ASP 187 Ca -0.00 -0.72 0.09 0.00 0.43 0.00 0.00 57.03 56.83 3n2l h ASP 187 Cb 0.34 -0.21 -0.07 0.00 -0.56 0.00 0.00 39.33 38.83 3n2l h ASP 187 CO 0.02 1.57 0.38 -0.07 -1.57 0.00 0.00 179.24 179.56 3n2l h LEU 188 N 0.11 0.51 -0.11 1.55 3.38 -0.66 0.87 115.31 120.96 3n2l h LEU 188 Ca -0.22 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3n2l h LEU 188 Cb 2.09 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 3n2l h LEU 188 CO 0.23 0.29 -0.15 0.40 0.09 0.00 0.00 178.44 179.30 3n2l h ILE 189 N 0.64 1.37 -1.01 1.22 2.04 -1.50 -2.30 117.51 117.98 3n2l h ILE 189 Ca 0.35 -1.37 0.24 0.00 1.00 0.00 0.00 64.86 65.09 3n2l h ILE 189 Cb 0.35 2.01 -0.09 0.00 -0.74 0.00 0.00 36.82 38.35 3n2l h ILE 189 CO -0.26 0.40 0.65 0.74 0.00 0.00 0.00 178.15 179.68 3n2l h THR 190 N -0.11 0.57 0.20 -0.27 2.02 -0.74 0.11 112.91 114.69 3n2l h THR 190 Ca 0.01 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3n2l h THR 190 Cb 0.71 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3n2l h THR 190 CO 0.04 0.08 -0.10 0.22 0.37 0.00 0.00 175.52 176.13 3n2l h TYR 191 N 0.45 -0.25 -0.86 3.16 3.20 -0.63 -1.99 116.97 120.04 3n2l h TYR 191 Ca 0.57 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.45 3n2l h TYR 191 Cb 1.36 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.67 3n2l h TYR 191 CO -0.00 0.14 0.57 -0.07 -1.64 0.00 0.00 178.16 177.16 3n2l h LEU 192 N -0.75 0.98 0.11 2.82 3.38 -0.83 -2.37 115.31 118.65 3n2l h LEU 192 Ca -0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3n2l h LEU 192 Cb 0.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3n2l h LEU 192 CO 0.05 0.70 -0.21 -0.33 0.09 0.00 0.00 178.44 178.74 3n2l h GLU 193 N 1.15 -0.38 -0.08 1.13 5.08 -0.84 -2.40 114.58 118.24 3n2l h GLU 193 Ca 0.32 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.73 3n2l h GLU 193 Cb -0.10 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3n2l h GLU 193 CO -0.08 -0.25 0.09 1.96 -1.00 0.00 0.00 179.01 179.73 3n2l h GLN 194 N -0.39 0.00 -6.16 2.33 4.20 -0.98 -3.41 115.11 110.69 3n2l h GLN 194 Ca 0.03 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.16 3n2l h GLN 194 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3n2l h GLN 194 CO -0.11 0.00 1.34 -0.65 -0.67 0.00 0.00 178.83 178.74 3n2l s GLN 195 N -4.67 3.43 0.88 1.46 -1.52 -0.90 -4.97 119.66 113.37 3n2l s GLN 195 Ca -0.05 1.88 -0.15 0.00 -1.95 0.00 0.00 55.36 55.09 3n2l s GLN 195 Cb 0.15 -4.24 0.21 0.00 -0.22 0.00 0.00 33.01 28.91 3n2l s GLN 195 CO 0.56 -1.76 1.06 0.41 -0.25 0.00 0.00 175.29 175.31 3n2l n GLY 196 N 5.33 -1.83 3.57 3.09 0.00 -1.26 -4.87 105.19 109.22 3n2l n GLY 196 Ca 0.25 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 3n2l n GLY 196 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n2l s ASN 197 N -4.75 3.55 0.14 1.61 -0.87 -1.26 -4.72 114.94 108.63 3n2l s ASN 197 Ca 0.62 -0.54 -0.13 0.00 -1.57 0.00 0.00 52.86 51.25 3n2l s ASN 197 Cb -0.03 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 3n2l s ASN 197 CO 0.45 -4.48 1.58 0.78 -2.57 0.00 0.00 177.10 172.85 3n2l h ASN 198 N 12.11 0.83 -0.59 -1.22 2.35 -1.99 -2.32 115.58 124.76 3n2l h ASN 198 Ca 0.00 -0.33 0.12 0.00 -0.55 0.00 0.00 56.30 55.54 3n2l h ASN 198 Cb 1.00 -0.23 -0.11 0.00 0.05 0.00 0.00 38.32 39.03 3n2l h ASN 198 CO 1.00 0.96 -0.18 0.74 -1.65 0.00 0.00 177.43 178.31 3n2l h THR 199 N 0.69 0.36 0.37 2.81 2.02 -1.98 1.04 112.91 118.21 3n2l h THR 199 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 3n2l h THR 199 Cb 0.56 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3n2l h THR 199 CO 0.03 0.00 -0.19 -0.08 0.37 0.00 0.00 175.52 175.66 3n2l h GLU 200 N -0.04 -0.49 -0.03 6.66 4.81 -1.88 -0.79 114.58 122.82 3n2l h GLU 200 Ca 0.28 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 3n2l h GLU 200 Cb 0.46 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3n2l h GLU 200 CO -0.62 -0.33 -0.56 0.45 -0.73 0.00 0.00 179.01 177.22 3n2l h HIS 201 N -0.51 0.12 0.16 0.92 3.86 -0.89 -1.23 115.15 117.59 3n2l h HIS 201 Ca -0.05 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 3n2l h HIS 201 Cb 0.40 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3n2l h HIS 201 CO -0.06 0.64 -0.08 1.25 0.86 0.00 0.00 177.93 180.54 3n2l h LEU 202 N 0.08 -0.18 -0.72 2.43 6.46 0.13 0.21 115.31 123.71 3n2l h LEU 202 Ca -0.00 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.56 3n2l h LEU 202 Cb 1.01 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 3n2l h LEU 202 CO 0.08 -0.01 -0.05 -0.33 -0.62 0.00 0.00 178.44 177.51 3n2l h GLU 203 N -0.35 0.93 -0.14 1.25 4.39 -1.00 -0.17 114.58 119.49 3n2l h GLU 203 Ca -0.02 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 3n2l h GLU 203 Cb 0.27 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3n2l h GLU 203 CO 0.04 0.95 -0.11 0.00 -1.16 0.00 0.00 179.01 178.73 3n2l h ALA 204 N 1.09 1.56 0.12 3.43 0.00 -1.04 -1.01 119.26 123.41 3n2l h ALA 204 Ca 0.15 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3n2l h ALA 204 Cb 0.57 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.30 3n2l h ALA 204 CO 0.03 0.32 -0.93 0.28 0.00 0.00 0.00 179.25 178.95 3n2l h VAL 205 N 0.21 1.43 -0.73 0.00 2.07 -0.18 -2.79 116.25 116.27 3n2l h VAL 205 Ca 0.05 -2.45 0.09 0.00 0.82 0.00 0.00 66.70 65.21 3n2l h VAL 205 Cb 0.33 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.03 3n2l h VAL 205 CO 0.02 0.71 0.48 0.11 0.02 0.00 0.00 177.57 178.91 3n2l h LYS 206 N -0.14 0.62 -0.22 1.57 1.57 -0.81 -1.39 116.57 117.76 3n2l h LYS 206 Ca -0.15 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.42 3n2l h LYS 206 Cb 1.69 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.86 3n2l h LYS 206 CO 0.18 0.41 -0.57 0.00 -0.57 0.00 0.00 179.45 178.90 3n2l h ALA 207 N 1.63 0.58 -0.48 3.86 0.00 -1.21 0.78 119.26 124.42 3n2l h ALA 207 Ca 0.33 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3n2l h ALA 207 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3n2l h ALA 207 CO -0.12 0.69 -0.17 -0.92 0.00 0.00 0.00 179.25 178.73 3n2l h TYR 208 N 0.53 1.10 -0.25 0.00 3.20 -1.09 -2.31 116.97 118.15 3n2l h TYR 208 Ca 0.01 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 3n2l h TYR 208 Cb 1.14 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 3n2l h TYR 208 CO 0.06 1.07 -0.01 -0.09 -1.64 0.00 0.00 178.16 177.54 3n2l h ARG 209 N 0.82 0.45 -0.86 1.82 2.43 -1.24 0.26 114.38 118.06 3n2l h ARG 209 Ca 0.12 -0.15 0.22 0.00 -0.81 0.00 0.00 59.98 59.36 3n2l h ARG 209 Cb 0.74 -0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.12 3n2l h ARG 209 CO 0.06 0.63 0.26 0.00 -1.51 0.00 0.00 179.97 179.41 3n2l h ALA 210 N 0.80 1.26 0.00 2.80 0.00 -0.51 0.38 119.26 124.00 3n2l h ALA 210 Ca 0.07 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3n2l h ALA 210 Cb 0.43 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3n2l h ALA 210 CO 0.01 -0.43 -0.34 0.37 0.00 0.00 0.00 179.25 178.87 3n2l h GLN 211 N 0.25 0.00 -0.01 0.00 4.15 -1.23 -3.40 115.11 114.87 3n2l h GLN 211 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.96 3n2l h GLN 211 Cb 1.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3n2l h GLN 211 CO -0.61 0.66 -0.53 0.66 -1.93 0.00 0.00 178.83 177.07 3n2l n TYR 212 N -4.61 0.00 -2.25 3.99 4.01 0.88 -4.98 117.16 114.21 3n2l n TYR 212 Ca -0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.23 3n2l n TYR 212 Cb 0.39 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.33 3n2l n TYR 212 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3n2l s GLY 213 N -2.66 2.93 0.00 2.72 0.00 0.13 -4.98 107.32 105.45 3n2l s GLY 213 Ca 0.17 1.05 0.10 0.00 0.00 0.00 0.00 44.72 46.04 3n2l s GLY 213 CO 0.64 1.61 1.02 0.29 0.00 0.00 0.00 173.10 176.66