#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7k n GLU 1 N 0.00 -3.66 0.00 0.03 1.02 -1.26 -5.04 120.64 111.73 2i7k n GLU 1 Ca 0.00 2.81 0.00 0.00 -0.02 0.00 0.00 57.16 59.95 2i7k n GLU 1 Cb 0.00 -3.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.84 2i7k n GLU 1 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2i7k n GLU 2 N 1.30 0.00 0.21 3.49 4.07 -1.26 -4.94 120.64 123.50 2i7k n GLU 2 Ca -0.04 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.20 2i7k n GLU 2 Cb 0.07 0.00 0.62 0.00 -0.06 0.00 0.00 31.44 32.07 2i7k n GLU 2 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 2i7k h VAL 3 N 0.00 0.00 0.00 6.31 -1.51 -2.04 -2.74 116.25 116.28 2i7k h VAL 3 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2i7k h VAL 3 Cb 0.00 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2i7k h VAL 3 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.72 2i7k n GLU 4 N -2.66 0.14 0.09 5.19 -0.58 -1.26 -2.96 120.64 118.60 2i7k n GLU 4 Ca 0.01 0.30 -0.12 0.00 -0.42 0.00 0.00 57.16 56.93 2i7k n GLU 4 Cb 0.25 -1.73 -0.09 0.00 -0.57 0.00 0.00 31.44 29.29 2i7k n GLU 4 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2i7k h GLN 5 N 0.00 0.22 0.43 3.49 7.50 -1.89 -3.32 115.11 121.54 2i7k h GLN 5 Ca 0.00 -0.31 -0.02 0.00 0.50 0.00 0.00 58.65 58.82 2i7k h GLN 5 Cb 0.42 0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.05 2i7k h GLN 5 CO 0.00 1.10 -0.24 1.15 -1.50 0.00 0.00 178.83 179.34 2i7k h THR 6 N 0.08 0.50 -0.82 -0.54 2.02 -1.72 -2.61 112.91 109.83 2i7k h THR 6 Ca -0.08 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.25 2i7k h THR 6 Cb 1.78 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 68.60 2i7k h THR 6 CO 0.17 0.00 0.39 -0.65 0.37 0.00 0.00 175.52 175.79 2i7k h PRO 7 N -0.63 0.53 -0.81 6.66 0.11 -1.71 -0.84 132.00 135.31 2i7k h PRO 7 Ca -0.05 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.05 2i7k h PRO 7 Cb 0.51 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.45 2i7k h PRO 7 CO 0.07 0.35 0.53 1.25 -0.21 0.00 0.00 178.00 179.99 2i7k h LEU 8 N 0.55 0.89 -1.19 2.35 7.12 -1.62 -2.01 115.31 121.40 2i7k h LEU 8 Ca 0.45 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.45 2i7k h LEU 8 Cb 0.67 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 2i7k h LEU 8 CO -0.39 0.63 0.51 -0.61 -0.13 0.00 0.00 178.44 178.45 2i7k h GLN 9 N 1.05 1.05 -0.31 1.25 4.15 -0.78 -1.99 115.11 119.53 2i7k h GLN 9 Ca 0.31 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2i7k h GLN 9 Cb -0.05 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.39 2i7k h GLN 9 CO -0.09 0.71 0.17 1.49 -1.93 0.00 0.00 178.83 179.18 2i7k h GLU 10 N 1.08 0.42 -0.24 1.69 4.81 -0.92 0.11 114.58 121.53 2i7k h GLU 10 Ca 0.29 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2i7k h GLU 10 Cb -0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2i7k h GLU 10 CO -0.06 0.35 0.14 0.00 -0.73 0.00 0.00 179.01 178.71 2i7k h ALA 11 N 1.05 0.30 -0.76 2.92 0.00 -1.14 -2.01 119.26 119.62 2i7k h ALA 11 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2i7k h ALA 11 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2i7k h ALA 11 CO -0.02 -0.18 0.45 -0.07 0.00 0.00 0.00 179.25 179.43 2i7k h LEU 12 N 0.28 0.92 -1.39 0.00 4.07 -1.22 -2.00 115.31 115.97 2i7k h LEU 12 Ca 0.08 -0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.00 2i7k h LEU 12 Cb 0.04 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 2i7k h LEU 12 CO -0.01 0.72 0.43 0.78 -1.08 0.00 0.00 178.44 179.28 2i7k h ASN 13 N 1.04 0.70 -0.41 -0.43 2.35 -0.69 -1.88 115.58 116.25 2i7k h ASN 13 Ca 0.27 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 2i7k h ASN 13 Cb -0.03 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2i7k h ASN 13 CO -0.05 0.49 0.09 1.56 -1.65 0.00 0.00 177.43 177.87 2i7k h GLN 14 N 0.81 0.67 -0.47 0.81 4.20 -0.64 0.08 115.11 120.57 2i7k h GLN 14 Ca 0.25 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2i7k h GLN 14 Cb 0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2i7k h GLN 14 CO -0.07 0.70 0.31 -0.07 -0.67 0.00 0.00 178.83 179.03 2i7k h LEU 15 N 0.54 0.54 -0.46 1.46 3.38 -0.93 0.11 115.31 119.94 2i7k h LEU 15 Ca 0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2i7k h LEU 15 Cb 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2i7k h LEU 15 CO 0.00 0.39 -0.03 0.24 0.09 0.00 0.00 178.44 179.13 2i7k h MET 16 N 0.64 0.83 -0.29 1.13 2.86 -1.23 0.15 114.93 119.02 2i7k h MET 16 Ca 0.17 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2i7k h MET 16 Cb -0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2i7k h MET 16 CO -0.04 0.90 0.08 0.00 1.06 0.00 0.00 176.91 178.92 2i7k h ARG 17 N 0.67 0.45 -0.47 1.72 3.08 -0.70 0.26 114.38 119.40 2i7k h ARG 17 Ca 0.13 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2i7k h ARG 17 Cb 0.55 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2i7k h ARG 17 CO 0.03 0.51 -0.21 0.37 -1.07 0.00 0.00 179.97 179.60 2i7k h GLN 18 N 0.30 0.96 -0.42 0.04 4.15 -0.75 -1.27 115.11 118.11 2i7k h GLN 18 Ca 0.09 -0.41 -0.06 0.00 0.77 0.00 0.00 58.65 59.04 2i7k h GLN 18 Cb 0.25 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2i7k h GLN 18 CO -0.00 1.08 0.02 1.25 -1.93 0.00 0.00 178.83 179.25 2i7k h LEU 19 N 0.81 0.72 -0.83 -2.39 6.46 -0.57 -2.97 115.31 116.54 2i7k h LEU 19 Ca 0.11 -0.29 -0.09 0.00 -0.12 0.00 0.00 57.88 57.48 2i7k h LEU 19 Cb 0.78 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 2i7k h LEU 19 CO 0.06 0.84 -0.14 1.56 -0.62 0.00 0.00 178.44 180.14 2i7k h GLN 20 N 0.58 0.72 0.00 1.25 4.20 -0.43 -2.62 115.11 118.80 2i7k h GLN 20 Ca 0.12 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2i7k h GLN 20 Cb 0.46 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2i7k h GLN 20 CO 0.02 0.83 0.00 0.00 -0.67 0.00 0.00 178.83 179.01 2i7k h ARG 21 N 0.65 0.00 0.00 1.46 2.47 -1.07 -3.31 114.38 114.58 2i7k h ARG 21 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2i7k h ARG 21 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2i7k h ARG 21 CO 0.04 0.00 0.00 1.17 0.56 0.00 0.00 179.97 181.74 2i7k n LYS 22 N -2.59 0.00 0.00 0.04 0.00 -0.99 -4.97 118.16 109.65 2i7k n LYS 22 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 58.31 58.98 2i7k n LYS 22 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.77 2i7k n LYS 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2i7k n ASP 23 N -2.14 0.00 -0.10 3.14 -0.08 -1.25 -4.98 116.55 111.14 2i7k n ASP 23 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2i7k n ASP 23 Cb 0.00 0.00 0.35 0.00 2.34 0.00 0.00 41.12 43.81 2i7k n ASP 23 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2i7k h PRO 24 N 0.00 0.73 0.00 -0.67 0.11 -1.89 -1.71 132.00 128.56 2i7k h PRO 24 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2i7k h PRO 24 Cb 0.00 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 2i7k h PRO 24 CO 0.00 0.48 -0.05 1.03 -0.21 0.00 0.00 178.00 179.26 2i7k h SER 25 N 0.75 0.00 -0.73 -2.05 0.87 -1.84 -2.69 113.55 107.86 2i7k h SER 25 Ca 0.21 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.94 2i7k h SER 25 Cb -0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 2i7k h SER 25 CO -0.05 0.05 0.49 0.00 -0.53 0.00 0.00 176.83 176.79 2i7k h ALA 26 N 1.95 2.27 0.05 6.23 0.00 -1.46 0.39 119.26 128.69 2i7k h ALA 26 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2i7k h ALA 26 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2i7k h ALA 26 CO 0.01 -0.48 -1.25 0.74 0.00 0.00 0.00 179.25 178.27 2i7k h PHE 27 N 0.28 0.18 -0.70 0.00 0.04 -1.66 -3.30 116.94 111.79 2i7k h PHE 27 Ca 0.36 -0.13 -0.26 0.00 2.80 0.00 0.00 57.97 60.73 2i7k h PHE 27 Cb 0.99 -0.01 -0.15 0.00 2.20 0.00 0.00 35.95 38.98 2i7k h PHE 27 CO -0.00 1.13 0.28 1.19 -0.60 0.00 0.00 178.31 180.31 2i7k n PHE 28 N -3.36 2.26 0.32 -0.55 3.72 -0.13 -4.49 117.46 115.23 2i7k n PHE 28 Ca -0.07 -1.38 0.04 0.00 -0.05 0.00 0.00 57.45 55.99 2i7k n PHE 28 Cb 0.99 -0.69 0.18 0.00 -0.94 0.00 0.00 39.48 39.03 2i7k n PHE 28 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2i7k n SER 29 N -0.55 2.86 -3.76 4.37 2.88 0.12 -2.36 113.62 117.18 2i7k n SER 29 Ca 0.42 -2.32 -0.13 0.00 -1.33 0.00 0.00 58.87 55.51 2i7k n SER 29 Cb 1.36 -0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 64.24 2i7k n SER 29 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2i7k s PHE 30 N -1.75 -0.21 -0.21 0.66 0.40 -1.26 -4.24 117.98 111.37 2i7k s PHE 30 Ca 0.25 0.36 -0.32 0.00 -0.60 0.00 0.00 56.93 56.63 2i7k s PHE 30 Cb 0.18 0.10 -0.09 0.00 0.51 0.00 0.00 43.02 43.72 2i7k s PHE 30 CO 0.10 -0.36 2.11 -0.35 0.70 0.00 0.00 175.22 177.42 2i7k n PRO 31 N 1.50 1.81 -1.66 0.24 -0.04 -1.26 -4.77 135.00 130.81 2i7k n PRO 31 Ca -0.20 0.56 -0.39 0.00 -0.04 0.00 0.00 63.50 63.43 2i7k n PRO 31 Cb 0.56 -2.84 0.04 0.00 -0.04 0.00 0.00 33.50 31.23 2i7k n PRO 31 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2i7k n VAL 32 N 6.77 3.50 -3.69 0.52 0.24 -1.26 -4.95 118.33 119.45 2i7k n VAL 32 Ca 0.31 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2i7k n VAL 32 Cb 0.34 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 2i7k n VAL 32 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2i7k n THR 33 N -1.22 0.00 0.71 3.34 -2.24 -1.26 -4.81 114.28 108.79 2i7k n THR 33 Ca 0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 2i7k n THR 33 Cb 0.45 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.07 2i7k n THR 33 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2i7k n ASP 34 N -2.16 0.00 -0.01 3.42 -0.08 -1.26 -0.79 116.55 115.67 2i7k n ASP 34 Ca 0.00 0.17 -0.03 0.00 -1.51 0.00 0.00 54.79 53.42 2i7k n ASP 34 Cb 0.00 -0.34 -0.01 0.00 2.34 0.00 0.00 41.12 43.11 2i7k n ASP 34 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2i7k n PHE 35 N -1.34 0.00 0.17 -0.67 3.01 -1.26 -4.67 117.46 112.70 2i7k n PHE 35 Ca 0.07 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.54 2i7k n PHE 35 Cb 0.14 -0.11 0.32 0.00 -0.01 0.00 0.00 39.48 39.83 2i7k n PHE 35 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2i7k h ILE 36 N -0.06 1.30 -2.97 4.37 2.04 -1.93 -3.44 117.51 116.82 2i7k h ILE 36 Ca -0.07 -1.42 -0.53 0.00 1.00 0.00 0.00 64.86 63.84 2i7k h ILE 36 Cb 1.08 1.76 -0.16 0.00 -0.74 0.00 0.00 36.82 38.76 2i7k h ILE 36 CO -0.03 0.41 -0.77 0.00 0.00 0.00 0.00 178.15 177.76 2i7k s ALA 37 N -4.10 2.18 -2.00 1.87 0.00 0.03 -4.75 121.76 114.99 2i7k s ALA 37 Ca -0.03 -1.62 0.21 0.00 0.00 0.00 0.00 51.96 50.52 2i7k s ALA 37 Cb 0.14 -0.18 1.24 0.00 0.00 0.00 0.00 23.12 24.32 2i7k s ALA 37 CO 0.73 0.21 1.63 -0.35 0.00 0.00 0.00 175.76 177.98 2i7k n PRO 38 N -0.07 0.68 0.00 0.00 -0.04 -1.26 -4.37 135.00 129.94 2i7k n PRO 38 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2i7k n PRO 38 Cb 0.58 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2i7k n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i7k n GLY 39 N 0.34 0.27 0.17 0.55 0.00 -1.26 -5.04 105.19 100.22 2i7k n GLY 39 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2i7k n GLY 39 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2i7k h TYR 40 N 0.00 0.08 0.00 1.61 -1.99 -1.81 -0.23 116.97 114.62 2i7k h TYR 40 Ca 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 2i7k h TYR 40 Cb 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.75 2i7k h TYR 40 CO 0.00 -0.02 -0.05 0.77 -0.00 0.00 0.00 178.16 178.86 2i7k h SER 41 N 0.17 0.00 0.26 3.88 0.02 -1.88 0.94 113.55 116.95 2i7k h SER 41 Ca 0.19 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.80 2i7k h SER 41 Cb 0.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.80 2i7k h SER 41 CO -0.28 0.05 -1.65 0.24 -1.14 0.00 0.00 176.83 174.05 2i7k h MET 42 N 0.00 0.40 0.00 3.45 2.86 -1.52 -3.42 114.93 116.70 2i7k h MET 42 Ca -0.00 -0.69 -0.36 0.00 -2.06 0.00 0.00 59.70 56.59 2i7k h MET 42 Cb 0.13 0.26 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 2i7k h MET 42 CO 0.01 1.31 -2.24 1.51 1.06 0.00 0.00 176.91 178.56 2i7k n ILE 43 N -3.59 1.22 -3.22 -1.22 3.06 -0.28 -4.83 119.36 110.50 2i7k n ILE 43 Ca -0.21 -0.35 -0.46 0.00 -2.50 0.00 0.00 62.75 59.23 2i7k n ILE 43 Cb 1.08 -1.67 -0.03 0.00 0.54 0.00 0.00 39.64 39.56 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2i7k s ILE 44 N -2.41 5.30 0.15 9.51 -1.09 0.33 -4.92 121.20 128.07 2i7k s ILE 44 Ca -0.31 -2.03 -0.17 0.00 -2.23 0.00 0.00 60.65 55.92 2i7k s ILE 44 Cb 0.11 -4.53 0.03 0.00 -1.58 0.00 0.00 42.46 36.49 2i7k s ILE 44 CO 0.41 -1.13 1.73 0.50 -1.23 0.00 0.00 174.94 175.22 2i7k h LYS 45 N 8.26 0.17 -2.91 2.79 3.64 -1.81 -3.31 116.57 123.41 2i7k h LYS 45 Ca 0.04 -0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.74 2i7k h LYS 45 Cb 1.05 -0.04 -0.38 0.00 -0.41 0.00 0.00 32.23 32.45 2i7k h LYS 45 CO 0.89 0.11 -0.25 0.72 -2.27 0.00 0.00 179.45 178.66 2i7k n HIS 46 N -5.10 3.63 0.03 1.91 8.25 -1.26 -4.88 115.22 117.80 2i7k n HIS 46 Ca 0.01 -4.02 -0.20 0.00 -0.26 0.00 0.00 57.72 53.25 2i7k n HIS 46 Cb 0.15 -0.87 -0.10 0.00 1.12 0.00 0.00 29.99 30.29 2i7k n HIS 46 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2i7k h PRO 47 N 5.28 0.69 -5.81 -0.41 0.13 -1.90 -3.42 132.00 126.56 2i7k h PRO 47 Ca 0.17 -0.72 -0.16 0.00 -0.87 0.00 0.00 66.00 64.42 2i7k h PRO 47 Cb 0.73 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2i7k h PRO 47 CO 0.87 1.30 -0.60 -1.33 -0.23 0.00 0.00 178.00 178.01 2i7k n MET 48 N -3.90 -1.86 -0.82 0.86 2.81 -1.26 -2.42 117.12 110.52 2i7k n MET 48 Ca -0.11 1.59 -0.28 0.00 -1.81 0.00 0.00 57.70 57.09 2i7k n MET 48 Cb 0.85 -4.41 0.22 0.00 -0.71 0.00 0.00 33.22 29.17 2i7k n MET 48 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2i7k s ASP 49 N -2.55 1.54 0.44 7.83 1.11 -1.26 -4.47 116.67 119.31 2i7k s ASP 49 Ca 0.17 1.31 0.13 0.00 0.18 0.00 0.00 52.55 54.34 2i7k s ASP 49 Cb -0.03 -2.04 0.99 0.00 1.07 0.00 0.00 42.92 42.91 2i7k s ASP 49 CO 0.81 -3.82 2.01 -0.26 1.18 0.00 0.00 175.17 175.08 2i7k h PHE 50 N -2.37 0.09 -0.18 4.23 -1.00 -1.79 -1.00 116.94 114.92 2i7k h PHE 50 Ca -0.59 -0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.00 2i7k h PHE 50 Cb 1.34 -0.03 0.01 0.00 3.61 0.00 0.00 35.95 40.88 2i7k h PHE 50 CO 0.19 0.20 -0.61 1.03 -1.61 0.00 0.00 178.31 177.51 2i7k h SER 51 N 0.09 0.84 -0.22 2.17 0.87 -1.74 -1.98 113.55 113.58 2i7k h SER 51 Ca 0.02 -0.60 -0.07 0.00 -1.23 0.00 0.00 61.79 59.91 2i7k h SER 51 Cb 0.25 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2i7k h SER 51 CO 0.02 1.30 -0.12 0.74 -0.53 0.00 0.00 176.83 178.23 2i7k h THR 52 N 0.44 1.31 -0.29 2.23 2.02 -1.81 -2.54 112.91 114.27 2i7k h THR 52 Ca -0.02 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 2i7k h THR 52 Cb 1.23 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2i7k h THR 52 CO 0.13 0.37 0.11 0.00 0.37 0.00 0.00 175.52 176.50 2i7k h MET 53 N 0.17 0.43 -0.98 6.66 -0.00 -1.26 -2.47 114.93 117.48 2i7k h MET 53 Ca 0.05 -0.08 0.03 0.00 -0.00 0.00 0.00 59.70 59.70 2i7k h MET 53 Cb 0.63 -0.07 -0.05 0.00 -0.00 0.00 0.00 31.60 32.10 2i7k h MET 53 CO 0.04 0.46 0.65 1.57 -0.00 0.00 0.00 176.91 179.62 2i7k h LYS 54 N 0.31 1.23 -0.69 -0.10 2.10 -1.39 -1.11 116.57 116.92 2i7k h LYS 54 Ca 0.10 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2i7k h LYS 54 Cb 0.19 -0.28 -0.03 0.00 -0.90 0.00 0.00 32.23 31.21 2i7k h LYS 54 CO -0.01 0.81 0.31 1.49 -2.00 0.00 0.00 179.45 180.05 2i7k h GLU 55 N 1.26 1.00 -0.30 0.07 4.81 -1.28 -1.99 114.58 118.15 2i7k h GLU 55 Ca 0.38 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 2i7k h GLU 55 Cb -0.03 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2i7k h GLU 55 CO -0.11 0.79 -0.25 0.87 -0.73 0.00 0.00 179.01 179.58 2i7k h LYS 56 N 0.99 0.60 -0.80 1.92 6.56 -0.82 -2.94 116.57 122.07 2i7k h LYS 56 Ca 0.24 -0.24 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2i7k h LYS 56 Cb 0.14 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.73 2i7k h LYS 56 CO -0.03 0.80 0.52 0.82 -2.06 0.00 0.00 179.45 179.50 2i7k h ILE 57 N 0.52 1.18 0.00 1.86 2.04 -0.50 0.21 117.51 122.82 2i7k h ILE 57 Ca 0.07 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2i7k h ILE 57 Cb 0.71 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2i7k h ILE 57 CO 0.05 0.19 -0.00 0.11 0.00 0.00 0.00 178.15 178.51 2i7k h LYS 58 N 1.06 0.00 -0.56 2.37 1.57 -1.29 -0.71 116.57 119.01 2i7k h LYS 58 Ca 0.30 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 2i7k h LYS 58 Cb -0.08 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 2i7k h LYS 58 CO -0.08 0.00 0.10 0.09 -0.57 0.00 0.00 179.45 178.99 2i7k n ASN 59 N -3.25 4.82 -1.23 0.86 3.02 -0.36 -4.91 115.26 114.22 2i7k n ASN 59 Ca -0.03 -3.11 -0.16 0.00 -0.03 0.00 0.00 54.58 51.25 2i7k n ASN 59 Cb 0.08 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.50 2i7k n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2i7k n ASN 60 N -0.02 -5.30 0.13 6.41 3.02 -0.27 -4.84 115.26 114.38 2i7k n ASN 60 Ca 0.32 0.40 -0.02 0.00 -0.03 0.00 0.00 54.58 55.24 2i7k n ASN 60 Cb 1.20 -4.21 0.15 0.00 -0.61 0.00 0.00 39.78 36.31 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2i7k h ASP 61 N 0.00 0.03 -3.69 6.41 1.82 -1.17 -3.39 116.42 116.43 2i7k h ASP 61 Ca -0.33 -0.02 -0.68 0.00 -0.39 0.00 0.00 57.03 55.61 2i7k h ASP 61 Cb 1.17 -0.01 -0.34 0.00 0.68 0.00 0.00 39.33 40.82 2i7k h ASP 61 CO 0.48 0.66 -0.67 -0.31 -1.61 0.00 0.00 179.24 177.80 2i7k s TYR 62 N -3.58 3.42 0.00 0.28 2.02 -1.25 -4.86 117.35 113.38 2i7k s TYR 62 Ca -0.02 -2.18 0.05 0.00 -0.37 0.00 0.00 57.07 54.55 2i7k s TYR 62 Cb 0.12 -2.51 0.09 0.00 -0.40 0.00 0.00 41.96 39.26 2i7k s TYR 62 CO 0.77 -0.87 0.90 0.94 -1.57 0.00 0.00 175.55 175.72 2i7k n GLN 63 N 4.56 0.00 -3.79 -0.62 7.27 -1.26 -4.79 117.38 118.75 2i7k n GLN 63 Ca -0.08 -0.94 -0.13 0.00 0.07 0.00 0.00 57.00 55.92 2i7k n GLN 63 Cb 0.43 -0.13 -0.12 0.00 2.41 0.00 0.00 30.24 32.83 2i7k n GLN 63 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2i7k s SER 64 N -0.94 -0.25 0.37 1.69 0.15 -1.26 -5.04 113.70 108.42 2i7k s SER 64 Ca 0.07 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.27 2i7k s SER 64 Cb 0.08 0.48 0.79 0.00 -1.71 0.00 0.00 66.02 65.66 2i7k s SER 64 CO -0.03 -0.09 1.95 0.16 1.20 0.00 0.00 173.24 176.43 2i7k h ILE 65 N 4.82 0.98 -0.39 6.45 3.07 -1.98 -0.82 117.51 129.64 2i7k h ILE 65 Ca -0.26 -0.24 -0.16 0.00 1.55 0.00 0.00 64.86 65.75 2i7k h ILE 65 Cb 1.19 0.22 -0.01 0.00 -0.27 0.00 0.00 36.82 37.95 2i7k h ILE 65 CO 0.36 0.13 -0.37 -0.08 -1.05 0.00 0.00 178.15 177.14 2i7k h GLU 66 N 0.70 0.94 -0.14 0.16 4.81 -1.98 -1.12 114.58 117.95 2i7k h GLU 66 Ca 0.32 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2i7k h GLU 66 Cb 0.35 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2i7k h GLU 66 CO -0.11 1.15 0.01 1.49 -0.73 0.00 0.00 179.01 180.82 2i7k h GLU 67 N 0.77 0.24 -0.19 1.92 4.57 -1.73 -0.45 114.58 119.70 2i7k h GLU 67 Ca 0.07 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2i7k h GLU 67 Cb 0.97 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 2i7k h GLU 67 CO 0.09 0.46 0.08 -0.07 -1.18 0.00 0.00 179.01 178.39 2i7k h LEU 68 N -0.00 0.27 -0.39 1.64 3.38 -1.20 -2.52 115.31 116.49 2i7k h LEU 68 Ca 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2i7k h LEU 68 Cb 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2i7k h LEU 68 CO 0.01 0.36 0.16 0.11 0.09 0.00 0.00 178.44 179.17 2i7k h LYS 69 N 0.16 0.58 -0.41 1.13 1.57 -1.20 0.20 116.57 118.60 2i7k h LYS 69 Ca 0.06 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2i7k h LYS 69 Cb 0.18 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2i7k h LYS 69 CO -0.01 0.55 0.22 -0.44 -0.57 0.00 0.00 179.45 179.20 2i7k h ASP 70 N 0.48 0.34 -0.01 0.86 5.19 -1.04 0.42 116.42 122.66 2i7k h ASP 70 Ca 0.13 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.49 2i7k h ASP 70 Cb 0.18 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2i7k h ASP 70 CO -0.01 0.25 -0.23 0.78 -3.12 0.00 0.00 179.24 176.90 2i7k h ASN 71 N 0.45 0.23 -0.76 6.45 -0.26 -1.38 -2.16 115.58 118.15 2i7k h ASN 71 Ca 0.17 -0.74 0.02 0.00 -0.56 0.00 0.00 56.30 55.19 2i7k h ASN 71 Cb 0.05 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.19 2i7k h ASN 71 CO -0.10 0.93 0.49 0.15 -1.06 0.00 0.00 177.43 177.84 2i7k h PHE 72 N -0.46 0.92 -0.39 1.19 3.57 -0.55 -1.68 116.94 119.55 2i7k h PHE 72 Ca -0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2i7k h PHE 72 Cb 0.96 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2i7k h PHE 72 CO 0.17 0.55 -0.05 -0.22 -2.23 0.00 0.00 178.31 176.52 2i7k h LYS 73 N 0.97 0.64 -0.47 1.11 3.64 -0.23 -2.36 116.57 119.86 2i7k h LYS 73 Ca 0.29 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2i7k h LYS 73 Cb -0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2i7k h LYS 73 CO -0.09 0.69 0.31 -0.07 -2.27 0.00 0.00 179.45 178.02 2i7k h LEU 74 N 0.60 0.54 -0.49 5.20 3.38 -0.62 0.22 115.31 124.13 2i7k h LEU 74 Ca 0.12 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2i7k h LEU 74 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2i7k h LEU 74 CO 0.02 0.39 -0.01 -0.03 0.09 0.00 0.00 178.44 178.90 2i7k h MET 75 N 0.63 0.88 -0.16 1.13 4.05 -1.11 0.34 114.93 120.69 2i7k h MET 75 Ca 0.17 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2i7k h MET 75 Cb -0.07 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 2i7k h MET 75 CO -0.04 0.92 0.07 0.00 0.23 0.00 0.00 176.91 178.09 2i7k h THR 77 N 0.12 1.28 -0.11 0.00 2.02 -0.51 -1.75 112.91 113.97 2i7k h THR 77 Ca 0.05 -1.29 -0.12 0.00 0.77 0.00 0.00 66.41 65.82 2i7k h THR 77 Cb 0.15 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2i7k h THR 77 CO -0.01 0.43 -0.48 0.78 0.37 0.00 0.00 175.52 176.61 2i7k h ASN 78 N 0.57 0.29 -0.11 4.18 2.35 -0.23 -2.02 115.58 120.61 2i7k h ASN 78 Ca 0.09 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2i7k h ASN 78 Cb 0.71 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 2i7k h ASN 78 CO 0.05 0.72 -0.57 0.00 -1.65 0.00 0.00 177.43 175.99 2i7k h ALA 79 N 1.29 0.58 -0.05 -0.83 0.00 0.49 -2.51 119.26 118.23 2i7k h ALA 79 Ca 0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 2i7k h ALA 79 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2i7k h ALA 79 CO 0.08 0.69 -0.77 0.00 0.00 0.00 0.00 179.25 179.24 2i7k h MET 80 N 0.53 0.35 -0.26 0.00 -0.00 -1.24 -2.88 114.93 111.43 2i7k h MET 80 Ca 0.01 -0.31 -0.09 0.00 -0.00 0.00 0.00 59.70 59.31 2i7k h MET 80 Cb 1.15 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 2i7k h MET 80 CO 0.12 0.96 -0.18 0.97 -0.00 0.00 0.00 176.91 178.78 2i7k h ILE 81 N 0.23 1.31 -0.77 -0.10 6.09 -1.37 -3.09 117.51 119.81 2i7k h ILE 81 Ca -0.04 -1.30 -0.46 0.00 -1.37 0.00 0.00 64.86 61.69 2i7k h ILE 81 Cb 1.36 1.58 -0.23 0.00 0.47 0.00 0.00 36.82 40.00 2i7k h ILE 81 CO 0.13 0.41 0.59 0.00 -3.07 0.00 0.00 178.15 176.21 2i7k n TYR 82 N -4.41 2.43 -3.13 2.19 9.36 -0.95 -4.68 117.16 117.97 2i7k n TYR 82 Ca -0.04 -2.05 0.03 0.00 3.32 0.00 0.00 57.90 59.16 2i7k n TYR 82 Cb 0.39 -1.01 -0.00 0.00 -0.63 0.00 0.00 39.34 38.09 2i7k n TYR 82 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2i7k s ASN 83 N -0.86 -1.30 0.73 2.98 3.04 -1.09 -4.94 114.94 113.51 2i7k s ASN 83 Ca 0.47 -0.17 -0.11 0.00 0.04 0.00 0.00 52.86 53.08 2i7k s ASN 83 Cb 0.38 1.75 0.03 0.00 -1.54 0.00 0.00 41.25 41.87 2i7k s ASN 83 CO 0.04 -0.20 1.09 -0.54 -3.04 0.00 0.00 177.10 174.44 2i7k s LYS 84 N 2.45 2.51 -0.92 0.43 1.02 -1.26 -4.53 119.74 119.44 2i7k s LYS 84 Ca 0.15 1.16 -0.27 0.00 0.02 0.00 0.00 55.97 57.03 2i7k s LYS 84 Cb -0.06 -1.93 -0.24 0.00 -0.52 0.00 0.00 37.83 35.08 2i7k s LYS 84 CO -0.18 -1.45 2.01 -0.35 -0.92 0.00 0.00 175.35 174.46 2i7k n PRO 85 N -3.22 0.27 -0.06 -1.68 -0.04 -1.26 -4.48 135.00 124.54 2i7k n PRO 85 Ca 0.09 -1.68 -0.02 0.00 -0.04 0.00 0.00 63.50 61.85 2i7k n PRO 85 Cb 0.53 -3.67 -0.01 0.00 -0.04 0.00 0.00 33.50 30.31 2i7k n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2i7k h GLU 86 N 11.12 0.00 0.00 0.54 5.08 -1.98 -3.49 114.58 125.84 2i7k h GLU 86 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2i7k h GLU 86 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2i7k h GLU 86 CO 1.22 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.48 2i7k n THR 87 N -4.65 0.00 -0.30 1.13 -2.24 -1.26 -5.01 114.28 101.95 2i7k n THR 87 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2i7k n THR 87 Cb 0.13 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2i7k n THR 87 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2i7k n ILE 88 N -0.61 0.08 -0.06 2.28 -0.00 -1.26 -4.74 119.36 115.05 2i7k n ILE 88 Ca 0.00 -0.39 -0.12 0.00 -0.00 0.00 0.00 62.75 62.24 2i7k n ILE 88 Cb 0.00 1.22 -0.06 0.00 -0.00 0.00 0.00 39.64 40.81 2i7k n ILE 88 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 2i7k h TYR 89 N 0.00 0.35 -0.09 1.39 -1.99 -1.95 0.36 116.97 115.04 2i7k h TYR 89 Ca 0.00 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2i7k h TYR 89 Cb 0.21 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 2i7k h TYR 89 CO 0.00 0.55 0.01 -0.92 -0.00 0.00 0.00 178.16 177.80 2i7k h TYR 90 N 0.06 0.16 -0.31 4.88 3.20 -1.80 -2.51 116.97 120.65 2i7k h TYR 90 Ca 0.05 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2i7k h TYR 90 Cb 0.41 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2i7k h TYR 90 CO 0.04 0.36 -0.09 0.87 -1.64 0.00 0.00 178.16 177.70 2i7k h LYS 91 N -0.09 0.52 -0.32 1.82 1.57 -1.85 -2.57 116.57 115.66 2i7k h LYS 91 Ca 0.03 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2i7k h LYS 91 Cb 0.29 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2i7k h LYS 91 CO 0.00 0.62 0.20 0.00 -0.57 0.00 0.00 179.45 179.70 2i7k h ALA 92 N 1.42 0.40 -0.38 3.86 0.00 -0.12 0.24 119.26 124.69 2i7k h ALA 92 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2i7k h ALA 92 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2i7k h ALA 92 CO 0.02 -0.15 0.14 0.00 0.00 0.00 0.00 179.25 179.26 2i7k h ALA 93 N 1.13 0.49 -0.16 0.00 0.00 -1.27 -0.07 119.26 119.38 2i7k h ALA 93 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2i7k h ALA 93 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2i7k h ALA 93 CO -0.04 0.11 0.05 -0.22 0.00 0.00 0.00 179.25 179.15 2i7k h LYS 94 N 0.46 0.24 -0.77 0.00 3.64 -1.23 -1.34 116.57 117.58 2i7k h LYS 94 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2i7k h LYS 94 Cb 0.21 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2i7k h LYS 94 CO -0.01 0.35 0.45 -0.22 -2.27 0.00 0.00 179.45 177.76 2i7k h LYS 95 N 0.09 1.04 -0.59 1.90 3.64 -0.46 -2.52 116.57 119.68 2i7k h LYS 95 Ca 0.05 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2i7k h LYS 95 Cb 0.21 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2i7k h LYS 95 CO -0.00 0.75 0.22 1.25 -2.27 0.00 0.00 179.45 179.39 2i7k h LEU 96 N 1.05 0.82 -0.53 5.20 7.12 -0.88 -1.76 115.31 126.33 2i7k h LEU 96 Ca 0.27 -0.18 0.05 0.00 0.13 0.00 0.00 57.88 58.15 2i7k h LEU 96 Cb -0.02 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 39.85 2i7k h LEU 96 CO -0.05 0.78 0.27 0.25 -0.13 0.00 0.00 178.44 179.55 2i7k h LEU 97 N 0.81 0.38 -0.71 2.25 6.46 -0.91 0.24 115.31 123.84 2i7k h LEU 97 Ca 0.19 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.90 2i7k h LEU 97 Cb 0.22 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2i7k h LEU 97 CO -0.01 0.26 0.09 0.45 -0.62 0.00 0.00 178.44 178.61 2i7k h HIS 98 N 0.52 1.15 -0.24 1.25 3.86 -1.27 -1.62 115.15 118.80 2i7k h HIS 98 Ca 0.23 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2i7k h HIS 98 Cb 0.14 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2i7k h HIS 98 CO -0.10 0.97 -0.06 0.77 0.86 0.00 0.00 177.93 180.37 2i7k h SER 99 N 1.01 0.47 -0.50 2.45 0.02 -0.68 -2.35 113.55 113.96 2i7k h SER 99 Ca 0.20 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 2i7k h SER 99 Cb 0.45 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2i7k h SER 99 CO 0.01 0.73 0.13 1.23 -1.14 0.00 0.00 176.83 177.79 2i7k h GLY 100 N 0.20 0.91 0.75 -3.77 0.00 -0.45 -1.97 103.07 98.75 2i7k h GLY 100 Ca 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2i7k h GLY 100 CO 0.02 0.50 -0.00 -0.33 0.00 0.00 0.00 176.54 176.73 2i7k h MET 101 N 0.82 0.19 -0.52 4.80 2.86 -1.25 -0.60 114.93 121.22 2i7k h MET 101 Ca 0.18 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2i7k h MET 101 Cb 0.31 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2i7k h MET 101 CO -0.00 0.44 0.29 1.57 1.06 0.00 0.00 176.91 180.27 2i7k h LYS 102 N -0.09 0.73 -0.29 1.72 2.10 -1.34 -2.59 116.57 116.81 2i7k h LYS 102 Ca 0.03 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 58.50 2i7k h LYS 102 Cb 0.36 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2i7k h LYS 102 CO 0.01 0.57 -0.21 0.82 -2.00 0.00 0.00 179.45 178.64 2i7k h ILE 103 N 0.70 1.26 -0.06 0.07 2.04 -1.35 -2.62 117.51 117.55 2i7k h ILE 103 Ca 0.18 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.85 2i7k h ILE 103 Cb 0.05 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2i7k h ILE 103 CO -0.03 0.39 0.07 0.25 0.00 0.00 0.00 178.15 178.83 2i7k h LEU 104 N 0.48 0.00 -2.63 1.44 6.46 -0.70 -0.63 115.31 119.72 2i7k h LEU 104 Ca 0.08 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.75 2i7k h LEU 104 Cb 0.63 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 2i7k h LEU 104 CO 0.04 0.00 0.11 -0.24 -0.62 0.00 0.00 178.44 177.73 2i7k n SER 105 N -3.79 3.59 -0.08 1.25 2.88 -0.99 -3.99 113.62 112.51 2i7k n SER 105 Ca -0.02 -2.63 -0.11 0.00 -1.33 0.00 0.00 58.87 54.78 2i7k n SER 105 Cb 0.16 -0.63 -0.07 0.00 -0.75 0.00 0.00 64.21 62.92 2i7k n SER 105 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2i7k n GLN 106 N 0.12 0.38 -0.01 -1.46 7.27 -0.24 -4.49 117.38 118.95 2i7k n GLN 106 Ca 0.21 0.09 -0.05 0.00 0.07 0.00 0.00 57.00 57.32 2i7k n GLN 106 Cb 0.89 -1.29 0.16 0.00 2.41 0.00 0.00 30.24 32.41 2i7k n GLN 106 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 2i7k h GLU 107 N -0.05 0.56 -2.59 3.69 4.11 -1.69 -3.32 114.58 115.28 2i7k h GLU 107 Ca -0.35 -0.23 -0.66 0.00 0.07 0.00 0.00 59.36 58.19 2i7k h GLU 107 Cb 1.52 -0.02 -0.38 0.00 0.50 0.00 0.00 28.75 30.36 2i7k h GLU 107 CO -0.07 0.78 -0.25 0.54 0.07 0.00 0.00 179.01 180.09 2i7k n ARG 108 N -4.09 2.86 -3.79 1.06 5.12 -1.26 -5.00 116.66 111.56 2i7k n ARG 108 Ca -0.01 -4.61 -0.36 0.00 -1.93 0.00 0.00 57.85 50.95 2i7k n ARG 108 Cb 0.44 -2.33 -0.12 0.00 -1.16 0.00 0.00 32.46 29.29 2i7k n ARG 108 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2i7k s LEU 109 N -2.29 5.17 0.19 0.55 0.20 -1.25 -4.91 118.68 116.34 2i7k s LEU 109 Ca 0.35 -2.26 -0.09 0.00 0.69 0.00 0.00 54.13 52.82 2i7k s LEU 109 Cb 0.08 -1.81 0.09 0.00 -0.43 0.00 0.00 46.19 44.12 2i7k s LEU 109 CO -0.02 -0.48 1.69 -0.08 -0.29 0.00 0.00 176.35 177.17 2i7k h GLU 110 N 7.73 1.07 0.00 1.98 4.57 -1.94 -3.45 114.58 124.54 2i7k h GLU 110 Ca -0.10 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2i7k h GLU 110 Cb 1.02 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2i7k h GLU 110 CO 0.69 0.97 0.00 1.58 -1.18 0.00 0.00 179.01 181.07 2i7k n HIS 111 N -4.26 -3.89 0.00 0.92 -0.00 -1.26 -5.09 115.22 101.64 2i7k n HIS 111 Ca 0.04 1.07 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 2i7k n HIS 111 Cb 0.27 2.81 0.00 0.00 -0.00 0.00 0.00 29.99 33.07 2i7k n HIS 111 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2i7k n HIS 112 N -3.14 -1.15 -4.13 1.57 8.25 -1.26 -5.17 115.22 110.19 2i7k n HIS 112 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2i7k n HIS 112 Cb 0.00 0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 2i7k n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i7k n HIS 113 N -2.26 0.14 0.06 4.41 -0.00 -1.26 -5.05 115.22 111.26 2i7k n HIS 113 Ca 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 57.72 57.08 2i7k n HIS 113 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 2i7k n HIS 113 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2i7k n HIS 114 N -0.38 -0.62 -3.65 4.41 -0.00 -1.26 -4.87 115.22 108.86 2i7k n HIS 114 Ca -0.05 0.11 -0.03 0.00 -0.00 0.00 0.00 57.72 57.76 2i7k n HIS 114 Cb 0.16 0.20 -0.07 0.00 -0.00 0.00 0.00 29.99 30.28 2i7k n HIS 114 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2i7k s HIS 115 N -1.68 -0.18 0.00 4.41 -3.43 -1.26 -5.22 115.29 107.92 2i7k s HIS 115 Ca 0.00 0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2i7k s HIS 115 Cb 0.00 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 2i7k s HIS 115 CO 0.00 -0.09 0.00 0.72 -2.00 0.00 0.00 174.74 173.37