#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0u h LEU 2 N 0.00 0.11 -0.79 1.20 3.38 -1.70 0.50 115.31 118.01 2i0u h LEU 2 Ca 0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2i0u h LEU 2 Cb 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2i0u h LEU 2 CO 0.00 0.08 0.13 0.15 0.09 0.00 0.00 178.44 178.89 2i0u h PHE 3 N 0.13 1.10 -0.58 1.13 -0.00 -1.98 -0.80 116.94 115.93 2i0u h PHE 3 Ca 0.13 -0.13 -0.11 0.00 -0.00 0.00 0.00 57.97 57.86 2i0u h PHE 3 Cb 0.35 -0.31 -0.02 0.00 -0.00 0.00 0.00 35.95 35.97 2i0u h PHE 3 CO -0.00 0.91 -0.05 1.96 -0.00 0.00 0.00 178.31 181.13 2i0u h GLN 4 N 0.99 1.06 -0.64 1.11 4.20 -1.36 -0.67 115.11 119.80 2i0u h GLN 4 Ca 0.20 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2i0u h GLN 4 Cb 0.39 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2i0u h GLN 4 CO 0.01 1.06 0.37 0.35 -0.67 0.00 0.00 178.83 179.95 2i0u h PHE 5 N 0.96 0.86 -0.07 2.96 3.57 -0.93 -0.06 116.94 124.23 2i0u h PHE 5 Ca 0.16 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2i0u h PHE 5 Cb 0.62 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2i0u h PHE 5 CO 0.04 0.60 -0.23 0.00 -2.23 0.00 0.00 178.31 176.49 2i0u h ALA 6 N 1.19 1.49 -0.44 2.41 0.00 -0.84 -1.92 119.26 121.15 2i0u h ALA 6 Ca 0.23 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2i0u h ALA 6 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2i0u h ALA 6 CO -0.04 0.37 -0.00 -0.22 0.00 0.00 0.00 179.25 179.35 2i0u h LYS 7 N 0.11 0.77 0.04 0.00 1.63 0.35 -0.99 116.57 118.48 2i0u h LYS 7 Ca 0.02 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2i0u h LYS 7 Cb 0.47 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2i0u h LYS 7 CO 0.03 0.84 -0.02 0.52 -3.45 0.00 0.00 179.45 177.38 2i0u h MET 8 N 0.61 -0.05 -0.03 1.90 2.86 -0.56 0.10 114.93 119.76 2i0u h MET 8 Ca 0.12 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2i0u h MET 8 Cb 0.50 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2i0u h MET 8 CO 0.02 0.13 -0.11 0.82 1.06 0.00 0.00 176.91 178.83 2i0u h ILE 9 N -0.23 0.71 -0.20 -1.22 2.04 -1.31 0.68 117.51 117.98 2i0u h ILE 9 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2i0u h ILE 9 Cb 0.21 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2i0u h ILE 9 CO 0.01 0.00 -0.16 0.78 0.00 0.00 0.00 178.15 178.78 2i0u h ASN 10 N -0.17 0.33 0.74 1.72 4.21 -1.16 0.25 115.58 121.50 2i0u h ASN 10 Ca 0.05 -0.08 -0.06 0.00 1.21 0.00 0.00 56.30 57.42 2i0u h ASN 10 Cb 0.24 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2i0u h ASN 10 CO -0.13 0.52 -0.28 1.23 -1.29 0.00 0.00 177.43 177.48 2i0u h GLY 11 N 0.88 0.00 0.56 2.83 0.00 -0.09 0.22 103.07 107.47 2i0u h GLY 11 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.05 2i0u h GLY 11 CO 0.03 0.00 -2.02 0.28 0.00 0.00 0.00 176.54 174.83 2i0u n LYS 12 N -3.55 0.67 -0.00 4.80 4.76 0.17 -4.63 118.16 120.37 2i0u n LYS 12 Ca -0.01 0.20 0.03 0.00 -2.87 0.00 0.00 58.31 55.66 2i0u n LYS 12 Cb 0.42 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 2i0u n LYS 12 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2i0u n LEU 13 N -3.08 0.16 0.00 -0.35 4.77 0.80 -4.99 117.00 114.31 2i0u n LEU 13 Ca -0.27 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2i0u n LEU 13 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 2i0u n LEU 13 CO 0.42 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2i0u n GLY 14 N 1.52 2.91 3.56 -0.72 0.00 0.76 -4.89 105.19 108.32 2i0u n GLY 14 Ca 0.00 -2.03 -0.49 0.00 0.00 0.00 0.00 46.02 43.50 2i0u n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0u n ALA 16 N -0.75 -1.12 -0.87 4.61 0.00 -1.26 -1.74 120.51 119.39 2i0u n ALA 16 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2i0u n ALA 16 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2i0u n ALA 16 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2i0u n PHE 17 N 1.16 0.00 0.01 0.00 3.01 -1.26 -4.84 117.46 115.54 2i0u n PHE 17 Ca 0.15 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.75 2i0u n PHE 17 Cb 0.25 -1.61 0.60 0.00 -0.01 0.00 0.00 39.48 38.70 2i0u n PHE 17 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2i0u h SER 18 N 0.00 0.16 -0.94 4.37 0.02 -1.68 -1.25 113.55 114.23 2i0u h SER 18 Ca 0.00 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.18 2i0u h SER 18 Cb 0.61 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 2i0u h SER 18 CO 0.00 0.10 0.63 1.62 -1.14 0.00 0.00 176.83 178.04 2i0u h VAL 19 N 0.18 0.61 0.00 2.27 3.04 -1.86 0.15 116.25 120.64 2i0u h VAL 19 Ca 0.21 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 2i0u h VAL 19 Cb 0.62 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 2i0u h VAL 19 CO -0.03 0.06 0.00 -0.50 -1.01 0.00 0.00 177.57 176.08 2i0u h TRP 20 N 0.32 0.00 0.00 3.17 4.06 -1.61 -1.00 115.95 120.88 2i0u h TRP 20 Ca 0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.44 2i0u h TRP 20 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.53 2i0u h TRP 20 CO -0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 2i0u n ASN 21 N -2.39 0.55 -0.46 -3.49 5.03 0.53 -3.38 115.26 111.65 2i0u n ASN 21 Ca 0.00 0.55 0.04 0.00 0.87 0.00 0.00 54.58 56.05 2i0u n ASN 21 Cb 0.16 -0.70 0.10 0.00 -1.02 0.00 0.00 39.78 38.32 2i0u n ASN 21 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2i0u n TYR 22 N -2.02 0.28 -3.16 3.10 4.02 -0.39 -4.71 117.16 114.27 2i0u n TYR 22 Ca 0.06 -0.39 -0.45 0.00 -0.01 0.00 0.00 57.90 57.12 2i0u n TYR 22 Cb 0.40 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.65 2i0u n TYR 22 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2i0u s ILE 23 N -0.94 4.92 -0.05 -0.72 1.01 -1.15 -3.85 121.20 120.43 2i0u s ILE 23 Ca 0.16 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 2i0u s ILE 23 Cb 0.09 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2i0u s ILE 23 CO 0.12 -1.04 0.06 -0.24 0.00 0.00 0.00 174.94 173.83 2i0u n SER 24 N 6.05 -2.53 -3.74 3.58 2.88 -0.22 -4.80 113.62 114.84 2i0u n SER 24 Ca -0.10 0.03 -0.15 0.00 -1.33 0.00 0.00 58.87 57.31 2i0u n SER 24 Cb 0.42 -1.39 -0.16 0.00 -0.75 0.00 0.00 64.21 62.33 2i0u n SER 24 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2i0u s TYR 25 N -1.79 -0.04 0.00 0.66 5.04 0.13 -0.87 117.35 120.47 2i0u s TYR 25 Ca 0.01 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 2i0u s TYR 25 Cb -0.00 -0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.09 2i0u s TYR 25 CO 0.07 -0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.55 2i0u n GLY 26 N 4.40 1.62 0.00 8.97 0.00 -0.59 -1.95 105.19 117.65 2i0u n GLY 26 Ca -0.23 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.29 2i0u n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0u n TYR 28 N -1.70 0.00 -2.57 0.00 4.02 -1.25 -2.95 117.16 112.71 2i0u n TYR 28 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 2i0u n TYR 28 Cb 0.36 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.66 2i0u n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2i0u n GLY 30 N 5.25 0.64 3.73 0.00 0.00 -1.25 -0.70 105.19 112.87 2i0u n GLY 30 Ca 0.05 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2i0u n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2i0u s TRP 31 N -1.51 3.11 0.39 1.61 0.52 -1.26 -4.76 118.94 117.03 2i0u s TRP 31 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 56.10 56.99 2i0u s TRP 31 Cb 0.00 -3.81 0.00 0.00 -1.15 0.00 0.00 33.47 28.51 2i0u s TRP 31 CO 0.00 -2.83 0.00 0.41 0.02 0.00 0.00 176.95 174.55 2i0u n GLY 32 N 3.10 -2.11 3.65 0.98 0.00 -1.26 -5.01 105.19 104.54 2i0u n GLY 32 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2i0u n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i0u s GLY 33 N -6.79 0.35 0.31 -0.02 0.00 -1.26 -4.70 107.32 95.21 2i0u s GLY 33 Ca 0.00 3.53 -0.13 0.00 0.00 0.00 0.00 44.72 48.12 2i0u s GLY 33 CO 0.00 2.69 0.61 -0.86 0.00 0.00 0.00 173.10 175.53 2i0u s GLN 34 N 1.17 1.84 3.01 2.90 -2.07 -1.15 -5.01 119.66 120.35 2i0u s GLN 34 Ca -0.08 -1.34 0.00 0.00 -1.82 0.00 0.00 55.36 52.12 2i0u s GLN 34 Cb -0.03 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 2i0u s GLN 34 CO -0.12 -0.81 0.00 0.41 -1.32 0.00 0.00 175.29 173.45 2i0u n GLY 35 N -0.47 -0.31 3.36 2.60 0.00 -1.22 -4.71 105.19 104.44 2i0u n GLY 35 Ca -0.03 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 2i0u n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i0u s THR 36 N 0.00 2.50 0.21 2.61 -4.23 -1.26 -2.66 115.64 112.82 2i0u s THR 36 Ca 0.00 -0.92 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 2i0u s THR 36 Cb 0.00 -1.94 -0.15 0.00 1.34 0.00 0.00 72.50 71.74 2i0u s THR 36 CO 0.00 0.57 1.06 -2.65 -0.54 0.00 0.00 174.62 173.07 2i0u n PRO 37 N 2.68 1.11 0.06 3.99 -0.02 -1.26 -4.77 135.00 136.78 2i0u n PRO 37 Ca -0.17 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 2i0u n PRO 37 Cb 0.52 -1.81 0.26 0.00 -0.02 0.00 0.00 33.50 32.45 2i0u n PRO 37 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2i0u n LYS 38 N 1.37 0.24 -2.77 -0.52 4.76 -1.26 -4.94 118.16 115.03 2i0u n LYS 38 Ca 0.14 0.10 0.01 0.00 -2.87 0.00 0.00 58.31 55.69 2i0u n LYS 38 Cb 0.27 -1.68 0.01 0.00 -1.84 0.00 0.00 35.03 31.78 2i0u n LYS 38 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2i0u n ASP 39 N -2.05 -0.61 0.05 4.39 5.68 -1.26 -4.99 116.55 117.77 2i0u n ASP 39 Ca 0.04 -1.19 -0.11 0.00 -0.50 0.00 0.00 54.79 53.04 2i0u n ASP 39 Cb 0.42 0.96 -0.04 0.00 -1.14 0.00 0.00 41.12 41.32 2i0u n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2i0u h ALA 40 N 2.00 -0.24 -0.38 2.12 0.00 -1.94 0.16 119.26 120.97 2i0u h ALA 40 Ca -0.10 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2i0u h ALA 40 Cb 0.55 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2i0u h ALA 40 CO 0.15 -0.69 0.08 1.15 0.00 0.00 0.00 179.25 179.94 2i0u h THR 41 N -0.31 0.81 -0.07 0.00 2.02 -1.90 -0.93 112.91 112.53 2i0u h THR 41 Ca 0.06 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2i0u h THR 41 Cb 0.39 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2i0u h THR 41 CO -0.19 0.04 -0.18 -0.78 0.37 0.00 0.00 175.52 174.78 2i0u h ASP 42 N 0.21 0.11 0.50 4.18 3.58 -1.80 -1.51 116.42 121.69 2i0u h ASP 42 Ca 0.18 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 2i0u h ASP 42 Cb 0.21 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2i0u h ASP 42 CO -0.24 0.31 -0.56 -0.09 -2.88 0.00 0.00 179.24 175.78 2i0u h ARG 43 N 0.11 0.06 -0.73 0.28 2.43 0.41 -1.83 114.38 115.11 2i0u h ARG 43 Ca 0.02 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2i0u h ARG 43 Cb 0.39 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2i0u h ARG 43 CO 0.03 0.61 0.44 0.00 -1.51 0.00 0.00 179.97 179.54 2i0u h PHE 46 N 0.38 0.19 -0.51 0.00 3.57 -0.55 0.19 116.94 120.20 2i0u h PHE 46 Ca 0.01 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2i0u h PHE 46 Cb 1.03 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2i0u h PHE 46 CO 0.04 0.24 0.32 0.28 -2.23 0.00 0.00 178.31 176.96 2i0u h VAL 47 N 0.08 1.09 -0.61 1.41 2.07 -0.75 -1.29 116.25 118.25 2i0u h VAL 47 Ca 0.04 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2i0u h VAL 47 Cb 0.12 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2i0u h VAL 47 CO -0.01 0.12 0.33 -0.74 0.02 0.00 0.00 177.57 177.29 2i0u h HIS 48 N 0.65 0.85 -0.50 1.57 -0.00 -0.66 0.89 115.15 117.94 2i0u h HIS 48 Ca 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 2i0u h HIS 48 Cb -0.03 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.09 2i0u h HIS 48 CO -0.05 0.62 0.33 0.22 -0.00 0.00 0.00 177.93 179.04 2i0u h ASP 49 N 0.83 0.58 -0.59 3.26 -0.00 -0.21 -1.85 116.42 118.45 2i0u h ASP 49 Ca 0.21 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.03 57.15 2i0u h ASP 49 Cb 0.06 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.33 39.22 2i0u h ASP 49 CO -0.03 0.43 0.10 0.00 -0.00 0.00 0.00 179.24 179.74 2i0u h TYR 52 N 0.83 0.64 -0.42 0.00 -1.99 -1.01 -3.17 116.97 111.84 2i0u h TYR 52 Ca 0.37 -0.27 0.12 0.00 2.00 0.00 0.00 58.73 60.95 2i0u h TYR 52 Cb 0.36 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2i0u h TYR 52 CO -0.00 1.03 0.35 0.78 -0.00 0.00 0.00 178.16 180.32 2i0u h GLY 53 N 0.07 0.00 0.21 3.88 0.00 -0.05 -0.15 103.07 107.03 2i0u h GLY 53 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2i0u h GLY 53 CO 0.09 0.00 -0.14 0.54 0.00 0.00 0.00 176.54 177.03 2i0u n ARG 54 N -4.12 1.05 -2.89 4.80 1.74 -0.74 -4.87 116.66 111.63 2i0u n ARG 54 Ca 0.07 -0.55 -0.40 0.00 -0.77 0.00 0.00 57.85 56.20 2i0u n ARG 54 Cb 0.54 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 2i0u n ARG 54 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2i0u s VAL 55 N -2.33 4.69 0.06 1.55 1.01 -0.07 -5.05 120.40 120.26 2i0u s VAL 55 Ca 0.30 1.78 0.03 0.00 0.00 0.00 0.00 61.98 64.09 2i0u s VAL 55 Cb 0.20 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2i0u s VAL 55 CO 0.45 0.33 -0.10 -0.13 0.00 0.00 0.00 175.10 175.65 2i0u s ARG 56 N 0.07 0.70 0.00 2.72 1.81 -1.26 -4.79 118.95 118.20 2i0u s ARG 56 Ca 0.42 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 2i0u s ARG 56 Cb -0.21 -0.51 0.00 0.00 -0.45 0.00 0.00 34.95 33.78 2i0u s ARG 56 CO 0.25 0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 2i0u n GLY 59 N 1.17 2.08 3.43 -3.53 0.00 -1.26 -4.73 105.19 102.35 2i0u n GLY 59 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 2i0u n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0u s ASN 67 N -2.94 6.16 0.56 0.00 3.84 -1.26 -4.96 114.94 116.35 2i0u s ASN 67 Ca 0.15 -0.90 0.26 0.00 0.21 0.00 0.00 52.86 52.57 2i0u s ASN 67 Cb 0.01 -2.21 1.55 0.00 -0.55 0.00 0.00 41.25 40.06 2i0u s ASN 67 CO -0.00 -0.59 2.11 1.55 -2.79 0.00 0.00 177.10 177.37 2i0u h PRO 68 N 8.74 0.00 0.00 0.43 0.13 -1.92 0.21 132.00 139.58 2i0u h PRO 68 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2i0u h PRO 68 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2i0u h PRO 68 CO 0.81 0.00 -0.94 1.63 -0.23 0.00 0.00 178.00 179.27 2i0u n LYS 69 N -4.06 0.25 -0.03 0.86 5.02 -1.26 -4.03 118.16 114.90 2i0u n LYS 69 Ca 0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 2i0u n LYS 69 Cb 0.30 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 2i0u n LYS 69 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2i0u n LEU 70 N -1.90 0.59 -4.77 -0.35 4.32 -0.95 -2.33 117.00 111.60 2i0u n LEU 70 Ca 0.02 -0.01 -0.41 0.00 -0.02 0.00 0.00 56.01 55.59 2i0u n LEU 70 Cb 0.42 0.07 -0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2i0u n LEU 70 CO 0.40 0.25 1.17 0.00 -1.22 0.00 0.00 177.39 177.98 2i0u s ALA 71 N -2.16 3.62 -0.22 -1.18 0.00 0.70 -4.57 121.76 117.95 2i0u s ALA 71 Ca -0.05 1.58 -0.09 0.00 0.00 0.00 0.00 51.96 53.41 2i0u s ALA 71 Cb 0.02 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2i0u s ALA 71 CO 0.25 -1.05 0.10 0.42 0.00 0.00 0.00 175.76 175.48 2i0u s ILE 72 N -0.86 4.96 0.44 0.00 1.01 -1.26 0.17 121.20 125.65 2i0u s ILE 72 Ca 0.55 0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.25 2i0u s ILE 72 Cb -0.47 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2i0u s ILE 72 CO 0.60 0.39 0.13 0.00 0.00 0.00 0.00 174.94 176.06 2i0u n TYR 73 N 4.07 0.34 -4.61 3.97 0.18 -1.26 -4.93 117.16 114.91 2i0u n TYR 73 Ca -0.16 -2.04 -0.34 0.00 1.88 0.00 0.00 57.90 57.24 2i0u n TYR 73 Cb 0.52 -0.32 -0.11 0.00 -0.38 0.00 0.00 39.34 39.05 2i0u n TYR 73 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i0u s ALA 74 N -2.71 2.97 0.25 -3.48 0.00 -1.26 -4.99 121.76 112.54 2i0u s ALA 74 Ca 0.10 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2i0u s ALA 74 Cb -0.01 -1.27 0.06 0.00 0.00 0.00 0.00 23.12 21.90 2i0u s ALA 74 CO 0.06 0.52 0.89 1.52 0.00 0.00 0.00 175.76 178.76 2i0u s TYR 75 N -0.64 -0.02 0.11 0.00 -0.85 -1.26 -1.97 117.35 112.72 2i0u s TYR 75 Ca 0.10 -0.45 -0.26 0.00 -0.52 0.00 0.00 57.07 55.94 2i0u s TYR 75 Cb -0.11 0.72 0.08 0.00 0.38 0.00 0.00 41.96 43.03 2i0u s TYR 75 CO 0.02 -1.13 1.06 -1.54 -1.52 0.00 0.00 175.55 172.43 2i0u s SER 76 N -3.10 -0.14 -0.16 -0.18 1.04 -0.44 -4.84 113.70 105.88 2i0u s SER 76 Ca 0.16 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 2i0u s SER 76 Cb -0.04 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2i0u s SER 76 CO 0.06 -0.73 -0.03 -0.36 0.98 0.00 0.00 173.24 173.16 2i0u s PHE 77 N -3.01 3.03 -0.30 5.02 0.40 -1.26 0.74 117.98 122.59 2i0u s PHE 77 Ca 0.13 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2i0u s PHE 77 Cb 0.00 -1.98 0.08 0.00 0.51 0.00 0.00 43.02 41.64 2i0u s PHE 77 CO 0.01 -0.06 -0.01 0.21 0.70 0.00 0.00 175.22 176.06 2i0u s LYS 78 N 0.46 1.73 -1.24 0.44 2.47 0.51 -4.74 119.74 119.36 2i0u s LYS 78 Ca -0.03 -1.62 -0.01 0.00 -1.56 0.00 0.00 55.97 52.75 2i0u s LYS 78 Cb -0.14 -3.02 -0.01 0.00 -1.46 0.00 0.00 37.83 33.20 2i0u s LYS 78 CO 0.03 -0.79 0.83 1.63 0.16 0.00 0.00 175.35 177.20 2i0u n LYS 79 N 4.36 -5.16 -0.95 4.03 5.02 -1.26 -2.23 118.16 121.97 2i0u n LYS 79 Ca -0.03 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2i0u n LYS 79 Cb 0.42 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 2i0u n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i0u n GLY 80 N -1.39 0.66 3.31 0.72 0.00 -1.26 -5.02 105.19 102.21 2i0u n GLY 80 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2i0u n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i0u s ASN 81 N -2.49 3.35 0.40 1.61 0.02 -0.95 -4.90 114.94 111.97 2i0u s ASN 81 Ca 0.00 -0.45 -0.27 0.00 -1.02 0.00 0.00 52.86 51.13 2i0u s ASN 81 Cb 0.00 -1.02 -0.09 0.00 0.02 0.00 0.00 41.25 40.16 2i0u s ASN 81 CO 0.00 0.24 1.34 -0.63 0.02 0.00 0.00 177.10 178.06 2i0u s ILE 82 N -0.11 2.51 -0.24 0.60 1.01 -1.26 -0.37 121.20 123.34 2i0u s ILE 82 Ca -0.04 0.47 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 2i0u s ILE 82 Cb -0.14 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.14 2i0u s ILE 82 CO 0.04 0.08 0.17 -0.69 0.00 0.00 0.00 174.94 174.54 2i0u s VAL 83 N -1.22 -0.19 -0.00 2.92 1.01 0.23 -4.86 120.40 118.28 2i0u s VAL 83 Ca 0.56 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2i0u s VAL 83 Cb -0.40 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 2i0u s VAL 83 CO 0.52 -0.47 1.54 0.00 0.00 0.00 0.00 175.10 176.69 2i0u n GLY 85 N 3.89 1.32 3.55 0.00 0.00 -0.83 -4.88 105.19 108.23 2i0u n GLY 85 Ca 0.15 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 2i0u n GLY 85 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2i0u n LYS 86 N 0.00 0.42 -4.84 1.61 -0.00 -1.26 -4.90 118.16 109.19 2i0u n LYS 86 Ca 0.00 -0.88 -0.25 0.00 -0.00 0.00 0.00 58.31 57.18 2i0u n LYS 86 Cb 0.00 -3.42 -0.15 0.00 -0.00 0.00 0.00 35.03 31.45 2i0u n LYS 86 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2i0u s ASN 88 N 9.29 2.14 -0.00 -5.58 0.01 -1.26 -4.75 114.94 114.79 2i0u s ASN 88 Ca 0.93 -0.34 0.03 0.00 -0.71 0.00 0.00 52.86 52.77 2i0u s ASN 88 Cb -0.19 -0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.23 2i0u s ASN 88 CO 0.14 0.21 -0.10 0.20 -1.51 0.00 0.00 177.10 176.04 2i0u s ASN 89 N -0.50 1.21 0.47 -1.22 0.01 -1.26 -4.60 114.94 109.06 2i0u s ASN 89 Ca 0.07 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2i0u s ASN 89 Cb -0.07 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.47 2i0u s ASN 89 CO -0.00 0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 2i0u n GLY 90 N 2.68 1.43 0.17 0.66 0.00 -1.26 -3.60 105.19 105.27 2i0u n GLY 90 Ca -0.14 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 2i0u n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0u h LEU 92 N 0.23 0.47 -0.21 0.00 3.38 -1.96 0.93 115.31 118.15 2i0u h LEU 92 Ca 0.18 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 2i0u h LEU 92 Cb 0.21 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2i0u h LEU 92 CO -0.23 0.04 0.08 -0.09 0.09 0.00 0.00 178.44 178.34 2i0u h ARG 93 N 0.47 0.31 -0.32 1.13 1.12 -1.45 -1.57 114.38 114.07 2i0u h ARG 93 Ca 0.59 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 59.40 2i0u h ARG 93 Cb 1.12 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.01 2i0u h ARG 93 CO -0.50 0.37 0.19 -0.44 -3.11 0.00 0.00 179.97 176.48 2i0u h ASP 94 N 0.18 0.39 -0.09 -3.80 3.45 0.55 -1.83 116.42 115.27 2i0u h ASP 94 Ca 0.07 -0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.49 2i0u h ASP 94 Cb 0.18 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 2i0u h ASP 94 CO -0.01 0.33 -0.04 0.40 -1.57 0.00 0.00 179.24 178.36 2i0u h ILE 95 N 0.42 0.87 -0.99 0.35 2.04 0.72 0.50 117.51 121.42 2i0u h ILE 95 Ca 0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 2i0u h ILE 95 Cb 0.02 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2i0u h ILE 95 CO -0.02 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.78 2i0u h GLU 97 N 1.29 0.84 -0.09 0.00 4.57 -0.74 0.43 114.58 120.87 2i0u h GLU 97 Ca 0.38 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2i0u h GLU 97 Cb -0.05 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2i0u h GLU 97 CO -0.11 0.80 0.05 0.00 -1.18 0.00 0.00 179.01 178.57 2i0u h ASP 99 N 0.05 0.53 -0.38 0.00 3.32 -1.20 -2.28 116.42 116.46 2i0u h ASP 99 Ca 0.03 -0.43 0.06 0.00 0.02 0.00 0.00 57.03 56.72 2i0u h ASP 99 Cb 0.07 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 2i0u h ASP 99 CO -0.01 0.84 0.03 -0.09 -1.72 0.00 0.00 179.24 178.30 2i0u h ARG 100 N 0.23 0.14 -0.61 3.56 2.43 -0.90 0.15 114.38 119.38 2i0u h ARG 100 Ca 0.05 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2i0u h ARG 100 Cb 0.65 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2i0u h ARG 100 CO 0.04 0.09 0.23 0.28 -1.51 0.00 0.00 179.97 179.10 2i0u h VAL 101 N 0.14 1.23 -0.42 0.20 2.07 -1.40 -1.80 116.25 116.28 2i0u h VAL 101 Ca 0.18 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 2i0u h VAL 101 Cb 0.24 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2i0u h VAL 101 CO -0.28 0.29 0.11 0.00 0.02 0.00 0.00 177.57 177.71 2i0u h ALA 102 N 1.08 0.55 -0.46 1.67 0.00 -0.79 -0.31 119.26 121.01 2i0u h ALA 102 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2i0u h ALA 102 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2i0u h ALA 102 CO -0.01 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.69 2i0u h ALA 103 N 0.97 0.59 -0.24 0.00 0.00 -0.59 -0.94 119.26 119.04 2i0u h ALA 103 Ca 0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2i0u h ALA 103 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2i0u h ALA 103 CO -0.00 0.13 -0.23 -0.91 0.00 0.00 0.00 179.25 178.24 2i0u h ASN 104 N 0.60 0.46 -0.66 0.00 2.35 -1.21 -2.37 115.58 114.75 2i0u h ASN 104 Ca 0.16 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2i0u h ASN 104 Cb 0.09 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2i0u h ASN 104 CO -0.02 0.69 0.16 0.00 -1.65 0.00 0.00 177.43 176.61 2i0u h PHE 106 N 1.01 -0.13 -0.62 0.00 0.04 -0.88 -1.92 116.94 114.44 2i0u h PHE 106 Ca 0.21 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.03 2i0u h PHE 106 Cb 0.36 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 2i0u h PHE 106 CO 0.03 0.11 0.35 1.25 -0.60 0.00 0.00 178.31 179.44 2i0u h HIS 107 N -0.35 0.64 -0.47 -0.55 2.76 -1.23 -0.04 115.15 115.90 2i0u h HIS 107 Ca -0.01 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2i0u h HIS 107 Cb 0.29 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2i0u h HIS 107 CO -0.00 0.32 0.29 0.37 -1.30 0.00 0.00 177.93 177.61 2i0u h GLN 108 N 0.66 0.63 -0.44 5.26 4.15 -0.38 -2.67 115.11 122.32 2i0u h GLN 108 Ca 0.27 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2i0u h GLN 108 Cb 0.14 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2i0u h GLN 108 CO -0.16 0.44 0.00 0.09 -1.93 0.00 0.00 178.83 177.27 2i0u n ASN 109 N -4.44 4.54 -0.31 -0.69 3.02 -0.73 -4.62 115.26 112.02 2i0u n ASN 109 Ca 0.04 -2.80 0.02 0.00 -0.03 0.00 0.00 54.58 51.81 2i0u n ASN 109 Cb 0.07 -0.57 0.16 0.00 -0.61 0.00 0.00 39.78 38.84 2i0u n ASN 109 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2i0u h GLN 110 N 2.92 0.90 0.00 3.52 3.07 -0.66 -2.07 115.11 122.79 2i0u h GLN 110 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2i0u h GLN 110 Cb 1.55 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.91 2i0u h GLN 110 CO 0.29 0.60 0.04 -2.95 0.09 0.00 0.00 178.83 176.90 2i0u h ASN 111 N 0.93 0.00 -0.15 0.06 7.08 -1.82 -1.81 115.58 119.86 2i0u h ASN 111 Ca 0.40 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.62 2i0u h ASN 111 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 2i0u h ASN 111 CO -0.21 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.49 2i0u n THR 112 N -2.32 1.07 -1.70 6.14 -2.24 -0.78 -5.02 114.28 109.43 2i0u n THR 112 Ca -0.02 -1.08 -0.43 0.00 -2.27 0.00 0.00 64.05 60.26 2i0u n THR 112 Cb 0.08 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 2i0u n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i0u n TYR 113 N -0.13 2.62 -3.71 4.78 9.36 -0.68 -4.95 117.16 124.45 2i0u n TYR 113 Ca 0.06 -0.01 -0.38 0.00 3.32 0.00 0.00 57.90 60.89 2i0u n TYR 113 Cb 0.36 -2.68 -0.11 0.00 -0.63 0.00 0.00 39.34 36.27 2i0u n TYR 113 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2i0u s ASN 114 N 1.90 5.39 0.51 2.98 3.84 -1.26 -4.96 114.94 123.34 2i0u s ASN 114 Ca 0.79 -1.61 0.29 0.00 0.21 0.00 0.00 52.86 52.54 2i0u s ASN 114 Cb -0.52 -1.89 1.40 0.00 -0.55 0.00 0.00 41.25 39.69 2i0u s ASN 114 CO 0.36 -0.48 1.88 0.11 -2.79 0.00 0.00 177.10 176.17 2i0u h LYS 115 N 8.22 0.08 0.00 0.43 1.57 -1.99 0.33 116.57 125.21 2i0u h LYS 115 Ca -0.20 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2i0u h LYS 115 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2i0u h LYS 115 CO 0.70 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.72 2i0u n ASN 116 N -4.33 0.32 0.01 0.86 3.02 -1.26 -1.40 115.26 112.49 2i0u n ASN 116 Ca 0.19 0.62 0.12 0.00 -0.03 0.00 0.00 54.58 55.48 2i0u n ASN 116 Cb 0.91 -0.68 0.23 0.00 -0.61 0.00 0.00 39.78 39.63 2i0u n ASN 116 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2i0u n TYR 117 N -1.90 0.14 -1.92 3.10 4.01 0.11 -4.77 117.16 115.93 2i0u n TYR 117 Ca 0.00 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2i0u n TYR 117 Cb 0.07 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 2i0u n TYR 117 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2i0u s LYS 118 N -3.05 4.21 -1.36 -0.72 1.02 -0.49 -1.54 119.74 117.80 2i0u s LYS 118 Ca 0.10 2.39 -0.04 0.00 0.02 0.00 0.00 55.97 58.44 2i0u s LYS 118 Cb 0.16 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2i0u s LYS 118 CO 0.71 -0.61 0.78 1.19 -0.92 0.00 0.00 175.35 176.50 2i0u n PHE 119 N 3.79 -2.03 -1.78 3.18 3.72 -0.05 -4.88 117.46 119.41 2i0u n PHE 119 Ca 0.13 0.86 -0.41 0.00 -0.05 0.00 0.00 57.45 57.98 2i0u n PHE 119 Cb 0.38 -4.32 0.00 0.00 -0.94 0.00 0.00 39.48 34.60 2i0u n PHE 119 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2i0u n LEU 120 N -4.39 4.85 -4.68 4.37 7.94 -1.02 -4.93 117.00 119.14 2i0u n LEU 120 Ca -0.21 1.22 -0.41 0.00 -1.11 0.00 0.00 56.01 55.50 2i0u n LEU 120 Cb 0.64 -1.63 0.01 0.00 0.53 0.00 0.00 43.42 42.97 2i0u n LEU 120 CO 0.70 0.16 0.82 -0.24 -1.11 0.00 0.00 177.39 177.73 2i0u n SER 121 N 0.40 2.31 -0.18 1.96 2.88 -1.26 -4.90 113.62 114.82 2i0u n SER 121 Ca 0.01 1.11 0.02 0.00 -1.33 0.00 0.00 58.87 58.68 2i0u n SER 121 Cb 0.39 -1.47 0.28 0.00 -0.75 0.00 0.00 64.21 62.67 2i0u n SER 121 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2i0u h SER 122 N 2.05 0.79 0.26 -3.46 0.87 -1.99 -2.17 113.55 109.90 2i0u h SER 122 Ca -0.47 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2i0u h SER 122 Cb 1.30 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2i0u h SER 122 CO 0.60 0.56 0.00 0.77 -0.53 0.00 0.00 176.83 178.23 2i0u h SER 124 N 0.93 0.00 -0.28 6.23 4.64 -2.03 -2.56 113.55 120.47 2i0u h SER 124 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2i0u h SER 124 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2i0u h SER 124 CO -0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.44 2i0u n ARG 125 N -2.63 1.88 -0.83 4.77 1.74 -0.81 -3.77 116.66 117.00 2i0u n ARG 125 Ca -0.01 -1.34 0.05 0.00 -0.77 0.00 0.00 57.85 55.78 2i0u n ARG 125 Cb 0.12 -1.37 0.12 0.00 -1.02 0.00 0.00 32.46 30.30 2i0u n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i0u n ARG 127 N -0.50 0.19 -0.56 0.00 5.12 -1.25 -3.45 116.66 116.21 2i0u n ARG 127 Ca 0.12 0.22 -0.29 0.00 -1.93 0.00 0.00 57.85 55.98 2i0u n ARG 127 Cb 0.84 -1.76 0.21 0.00 -1.16 0.00 0.00 32.46 30.59 2i0u n ARG 127 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2i0u n GLN 128 N -2.10 -2.30 -2.10 5.56 3.00 -1.26 -4.88 117.38 113.30 2i0u n GLN 128 Ca 0.05 -0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 55.97 2i0u n GLN 128 Cb 0.36 -1.80 -0.02 0.00 0.00 0.00 0.00 30.24 28.78 2i0u n GLN 128 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2i0u s THR 129 N -2.23 2.85 -0.52 5.09 -4.23 -1.26 -3.84 115.64 111.49 2i0u s THR 129 Ca 0.58 0.73 -0.27 0.00 -1.18 0.00 0.00 61.69 61.54 2i0u s THR 129 Cb -0.14 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 2i0u s THR 129 CO 0.61 0.13 1.77 -0.44 -0.54 0.00 0.00 174.62 176.14 2i0u s SER 130 N 0.19 5.59 0.29 3.99 0.01 -1.26 -3.99 113.70 118.52 2i0u s SER 130 Ca 0.56 0.61 -0.28 0.00 1.31 0.00 0.00 55.95 58.15 2i0u s SER 130 Cb -0.40 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.17 2i0u s SER 130 CO 0.43 -2.08 1.10 1.21 0.41 0.00 0.00 173.24 174.32 2i0u n GLU 131 N 8.87 1.56 -3.31 12.44 2.13 -1.09 -4.90 120.64 136.35 2i0u n GLU 131 Ca 0.20 0.55 -0.32 0.00 0.66 0.00 0.00 57.16 58.24 2i0u n GLU 131 Cb 0.50 -1.99 -0.06 0.00 0.27 0.00 0.00 31.44 30.17 2i0u n GLU 131 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2i0u s GLN 132 N -1.53 3.88 0.00 5.31 1.03 -1.26 -4.98 119.66 122.11 2i0u s GLN 132 Ca 0.59 0.43 0.15 0.00 0.04 0.00 0.00 55.36 56.56 2i0u s GLN 132 Cb -0.67 -2.59 0.88 0.00 0.03 0.00 0.00 33.01 30.66 2i0u s GLN 132 CO 0.60 0.27 1.30 0.00 -2.54 0.00 0.00 175.29 174.91