#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7k s GLU 1 N 0.00 1.68 0.34 0.03 2.12 -1.26 -4.94 118.70 116.67 2i7k s GLU 1 Ca 0.00 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.04 2i7k s GLU 1 Cb 0.00 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.37 2i7k s GLU 1 CO 0.00 0.45 0.00 0.39 -0.54 0.00 0.00 175.26 175.56 2i7k n GLU 2 N 0.64 -2.47 -0.85 4.30 -0.58 -1.26 -4.80 120.64 115.62 2i7k n GLU 2 Ca -0.15 1.90 0.00 0.00 -0.42 0.00 0.00 57.16 58.49 2i7k n GLU 2 Cb 0.54 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 2i7k n GLU 2 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2i7k n VAL 3 N -1.92 0.00 -1.02 2.62 0.31 -1.26 -4.75 118.33 112.31 2i7k n VAL 3 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2i7k n VAL 3 Cb 0.23 -0.33 0.03 0.00 -0.91 0.00 0.00 33.84 32.86 2i7k n VAL 3 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2i7k n GLU 4 N -1.65 0.97 0.11 5.55 -0.00 -1.26 -4.77 120.64 119.60 2i7k n GLU 4 Ca 0.00 -1.26 0.02 0.00 -0.00 0.00 0.00 57.16 55.93 2i7k n GLU 4 Cb 0.09 -0.81 0.00 0.00 -0.00 0.00 0.00 31.44 30.72 2i7k n GLU 4 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2i7k h GLN 5 N 0.00 0.00 0.09 3.44 4.20 -1.98 -3.31 115.11 117.56 2i7k h GLN 5 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2i7k h GLN 5 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2i7k h GLN 5 CO 0.00 0.43 -0.04 1.79 -0.67 0.00 0.00 178.83 180.33 2i7k h THR 6 N 0.00 1.14 -0.77 -0.54 1.35 -1.99 -2.46 112.91 109.64 2i7k h THR 6 Ca -0.04 -1.28 0.14 0.00 -0.55 0.00 0.00 66.41 64.68 2i7k h THR 6 Cb 1.41 1.91 -0.09 0.00 -1.73 0.00 0.00 68.15 69.65 2i7k h THR 6 CO 0.06 0.29 0.34 -0.65 -0.25 0.00 0.00 175.52 175.31 2i7k h PRO 7 N -0.75 0.48 -0.21 4.72 0.11 -1.90 -0.57 132.00 133.87 2i7k h PRO 7 Ca -0.01 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 2i7k h PRO 7 Cb 0.57 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2i7k h PRO 7 CO 0.02 0.32 -0.42 1.37 -0.21 0.00 0.00 178.00 179.08 2i7k h LEU 8 N 0.50 0.54 -0.85 2.35 8.10 -1.65 -3.06 115.31 121.23 2i7k h LEU 8 Ca 0.42 -0.24 -0.01 0.00 0.11 0.00 0.00 57.88 58.16 2i7k h LEU 8 Cb 0.62 -0.15 -0.04 0.00 -0.44 0.00 0.00 40.66 40.64 2i7k h LEU 8 CO -0.38 0.90 0.51 -0.61 -4.11 0.00 0.00 178.44 174.74 2i7k h GLN 9 N 0.42 1.16 -0.71 0.17 4.15 -0.63 -2.08 115.11 117.59 2i7k h GLN 9 Ca 0.03 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2i7k h GLN 9 Cb 0.91 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 2i7k h GLN 9 CO 0.08 0.82 0.45 1.49 -1.93 0.00 0.00 178.83 179.74 2i7k h GLU 10 N 1.18 0.96 -0.50 1.69 4.81 -1.23 -2.24 114.58 119.24 2i7k h GLU 10 Ca 0.31 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2i7k h GLU 10 Cb -0.04 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 2i7k h GLU 10 CO -0.06 0.66 0.30 0.00 -0.73 0.00 0.00 179.01 179.19 2i7k h ALA 11 N 1.24 0.64 -0.59 2.92 0.00 -1.39 -0.59 119.26 121.49 2i7k h ALA 11 Ca 0.26 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2i7k h ALA 11 Cb -0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 2i7k h ALA 11 CO -0.05 0.13 0.29 -0.07 0.00 0.00 0.00 179.25 179.55 2i7k h LEU 12 N 0.67 0.39 -0.59 0.00 3.38 -0.98 0.14 115.31 118.33 2i7k h LEU 12 Ca 0.18 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2i7k h LEU 12 Cb -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2i7k h LEU 12 CO -0.03 0.26 0.02 0.78 0.09 0.00 0.00 178.44 179.55 2i7k h ASN 13 N 0.54 1.00 -0.36 -0.43 2.35 -1.06 -1.33 115.58 116.30 2i7k h ASN 13 Ca 0.27 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2i7k h ASN 13 Cb 0.22 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2i7k h ASN 13 CO -0.20 1.05 0.02 -0.61 -1.65 0.00 0.00 177.43 176.03 2i7k h GLN 14 N 0.92 0.72 -0.22 0.81 4.15 -0.35 -1.10 115.11 120.05 2i7k h GLN 14 Ca 0.17 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 2i7k h GLN 14 Cb 0.52 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 2i7k h GLN 14 CO 0.03 0.72 -0.34 -0.07 -1.93 0.00 0.00 178.83 177.24 2i7k h LEU 15 N 0.68 0.69 -0.30 -2.39 4.07 -0.52 -2.07 115.31 115.47 2i7k h LEU 15 Ca 0.14 -0.52 -0.02 0.00 0.08 0.00 0.00 57.88 57.56 2i7k h LEU 15 Cb 0.40 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2i7k h LEU 15 CO 0.01 1.07 0.12 -0.03 -1.08 0.00 0.00 178.44 178.53 2i7k h MET 16 N 0.32 0.46 -0.46 1.13 4.05 -1.04 -1.00 114.93 118.39 2i7k h MET 16 Ca 0.02 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 2i7k h MET 16 Cb 0.93 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 2i7k h MET 16 CO 0.08 0.48 0.03 0.07 0.23 0.00 0.00 176.91 177.80 2i7k h ARG 17 N 0.34 0.74 -0.06 0.39 0.11 -1.25 0.20 114.38 114.85 2i7k h ARG 17 Ca 0.10 -0.18 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2i7k h ARG 17 Cb 0.19 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 2i7k h ARG 17 CO -0.01 0.73 0.01 1.96 0.10 0.00 0.00 179.97 182.77 2i7k h GLN 18 N 0.70 0.10 -0.22 0.08 4.20 -1.12 0.50 115.11 119.36 2i7k h GLN 18 Ca 0.14 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 2i7k h GLN 18 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2i7k h GLN 18 CO 0.01 0.33 -0.35 1.37 -0.67 0.00 0.00 178.83 179.52 2i7k h LEU 19 N -0.13 0.50 -0.67 1.46 8.10 -1.04 -2.98 115.31 120.55 2i7k h LEU 19 Ca 0.02 -0.20 -0.12 0.00 0.11 0.00 0.00 57.88 57.69 2i7k h LEU 19 Cb 0.27 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2i7k h LEU 19 CO 0.00 0.81 -0.28 -0.61 -4.11 0.00 0.00 178.44 174.26 2i7k h GLN 20 N 0.41 0.73 0.00 0.17 4.15 -0.49 -2.71 115.11 117.37 2i7k h GLN 20 Ca 0.05 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2i7k h GLN 20 Cb 0.81 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.47 2i7k h GLN 20 CO 0.07 0.93 0.00 0.00 -1.93 0.00 0.00 178.83 177.89 2i7k h ARG 21 N 0.63 0.00 0.00 1.69 -0.00 -0.74 -3.33 114.38 112.63 2i7k h ARG 21 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 2i7k h ARG 21 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.76 2i7k h ARG 21 CO 0.07 0.00 0.00 1.63 0.00 0.00 0.00 179.97 181.67 2i7k n LYS 22 N -2.56 0.00 0.00 0.04 4.76 -1.02 -4.95 118.16 114.43 2i7k n LYS 22 Ca -0.00 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2i7k n LYS 22 Cb 0.16 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 2i7k n LYS 22 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2i7k n ASP 23 N -1.91 0.00 0.13 4.39 2.03 -1.25 -4.97 116.55 114.96 2i7k n ASP 23 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2i7k n ASP 23 Cb 0.00 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.03 2i7k n ASP 23 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2i7k h PRO 24 N 0.00 0.07 0.00 -0.67 0.11 -1.86 -0.99 132.00 128.66 2i7k h PRO 24 Ca 0.00 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2i7k h PRO 24 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 2i7k h PRO 24 CO 0.00 0.04 -0.07 0.77 -0.21 0.00 0.00 178.00 178.53 2i7k h SER 25 N 0.07 0.00 -0.72 -2.05 0.02 -1.84 -2.83 113.55 106.19 2i7k h SER 25 Ca 0.11 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.27 2i7k h SER 25 Cb 0.37 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2i7k h SER 25 CO -0.01 0.07 0.52 0.00 -1.14 0.00 0.00 176.83 176.27 2i7k h ALA 26 N 1.93 2.65 0.00 3.77 0.00 -1.37 0.65 119.26 126.89 2i7k h ALA 26 Ca -0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2i7k h ALA 26 Cb 0.32 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2i7k h ALA 26 CO 0.01 -0.86 -1.05 0.74 0.00 0.00 0.00 179.25 178.09 2i7k h PHE 27 N 0.02 0.00 -0.25 0.00 0.04 -1.70 -3.33 116.94 111.72 2i7k h PHE 27 Ca 0.34 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.98 2i7k h PHE 27 Cb 1.35 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.42 2i7k h PHE 27 CO -0.00 0.80 -0.21 1.19 -0.60 0.00 0.00 178.31 179.49 2i7k n PHE 28 N -3.19 0.78 0.10 -0.55 3.01 0.38 -4.63 117.46 113.36 2i7k n PHE 28 Ca -0.04 -1.59 0.08 0.00 1.01 0.00 0.00 57.45 56.91 2i7k n PHE 28 Cb 0.89 -0.43 0.26 0.00 -0.01 0.00 0.00 39.48 40.19 2i7k n PHE 28 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2i7k n SER 29 N -1.13 3.29 -3.81 4.37 2.88 0.20 -2.56 113.62 116.87 2i7k n SER 29 Ca 0.29 -2.12 -0.12 0.00 -1.33 0.00 0.00 58.87 55.58 2i7k n SER 29 Cb 0.94 -0.42 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.44 -0.17 -0.55 0.66 0.40 -1.26 -4.35 117.98 111.26 2i7k s PHE 30 Ca 0.38 0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 56.80 2i7k s PHE 30 Cb 0.22 0.06 -0.12 0.00 0.51 0.00 0.00 43.02 43.69 2i7k s PHE 30 CO 0.23 -0.21 2.41 -2.30 0.70 0.00 0.00 175.22 176.06 2i7k n PRO 31 N 2.32 0.87 -1.65 0.24 -0.02 -1.26 -4.88 135.00 130.62 2i7k n PRO 31 Ca -0.17 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 2i7k n PRO 31 Cb 0.57 -2.73 0.04 0.00 -0.02 0.00 0.00 33.50 31.37 2i7k n PRO 31 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2i7k n VAL 32 N 7.67 3.40 -3.70 -1.45 0.24 -1.26 -4.97 118.33 118.26 2i7k n VAL 32 Ca 0.44 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2i7k n VAL 32 Cb 0.34 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 2i7k n VAL 32 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2i7k n THR 33 N -1.21 0.00 1.11 3.34 -1.04 -1.26 -4.88 114.28 110.34 2i7k n THR 33 Ca 0.12 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.23 2i7k n THR 33 Cb 0.44 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.52 2i7k n THR 33 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2i7k n ASP 34 N -2.05 0.00 -0.01 8.00 2.03 -1.26 -1.41 116.55 121.84 2i7k n ASP 34 Ca 0.00 -0.21 -0.02 0.00 0.52 0.00 0.00 54.79 55.07 2i7k n ASP 34 Cb 0.00 -0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 40.19 2i7k n ASP 34 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2i7k n PHE 35 N -1.20 0.00 -0.14 -0.67 -0.00 -1.26 -4.74 117.46 109.45 2i7k n PHE 35 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.45 2i7k n PHE 35 Cb 0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.48 39.52 2i7k n PHE 35 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2i7k h ILE 36 N -0.04 1.27 -2.42 -2.13 5.03 -1.94 -3.45 117.51 113.84 2i7k h ILE 36 Ca -0.06 -1.47 -0.53 0.00 -0.12 0.00 0.00 64.86 62.68 2i7k h ILE 36 Cb 1.07 1.25 -0.05 0.00 -3.03 0.00 0.00 36.82 36.06 2i7k h ILE 36 CO -0.02 0.50 -0.53 0.00 -0.68 0.00 0.00 178.15 177.42 2i7k s ALA 37 N -4.53 3.62 -2.00 1.87 0.00 -0.50 -4.82 121.76 115.39 2i7k s ALA 37 Ca -0.11 -1.31 0.15 0.00 0.00 0.00 0.00 51.96 50.69 2i7k s ALA 37 Cb 0.12 -1.37 0.88 0.00 0.00 0.00 0.00 23.12 22.74 2i7k s ALA 37 CO 0.88 0.37 1.44 -2.30 0.00 0.00 0.00 175.76 176.15 2i7k n PRO 38 N -0.82 0.83 0.00 0.00 -0.02 -1.26 -4.58 135.00 129.15 2i7k n PRO 38 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2i7k n PRO 38 Cb 0.56 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 2i7k n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i7k n GLY 39 N 0.51 0.41 0.23 -1.23 0.00 -1.26 -5.03 105.19 98.82 2i7k n GLY 39 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.47 0.00 1.61 -1.99 -1.81 -1.29 116.97 113.02 2i7k h TYR 40 Ca 0.00 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 2i7k h TYR 40 Cb 0.00 0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2i7k h TYR 40 CO 0.00 -0.26 -0.24 0.77 -0.00 0.00 0.00 178.16 178.43 2i7k h SER 41 N -0.23 0.00 1.22 3.88 0.02 -1.87 0.74 113.55 117.31 2i7k h SER 41 Ca 0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2i7k h SER 41 Cb 0.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2i7k h SER 41 CO -0.27 0.24 -0.11 -0.03 -1.14 0.00 0.00 176.83 175.52 2i7k h MET 42 N 0.00 0.00 0.00 3.45 -1.53 -1.66 -3.34 114.93 111.85 2i7k h MET 42 Ca -0.00 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 2i7k h MET 42 Cb 0.52 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 2i7k h MET 42 CO 0.03 0.11 -1.18 1.51 0.14 0.00 0.00 176.91 177.53 2i7k n ILE 43 N -3.20 0.18 -3.82 1.77 0.13 -0.78 -4.98 119.36 108.66 2i7k n ILE 43 Ca 0.01 -0.11 -0.28 0.00 -1.10 0.00 0.00 62.75 61.28 2i7k n ILE 43 Cb 0.42 -0.91 -0.16 0.00 -0.84 0.00 0.00 39.64 38.15 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 2i7k s ILE 44 N -2.06 0.86 0.08 9.51 1.09 0.25 -5.05 121.20 125.88 2i7k s ILE 44 Ca -0.01 -0.66 -0.28 0.00 -1.10 0.00 0.00 60.65 58.60 2i7k s ILE 44 Cb 0.01 -1.21 -0.12 0.00 -1.06 0.00 0.00 42.46 40.08 2i7k s ILE 44 CO 0.10 -0.07 1.44 0.11 -0.10 0.00 0.00 174.94 176.42 2i7k h LYS 45 N 8.16 -0.62 -3.67 2.79 1.57 -1.77 -3.28 116.57 119.75 2i7k h LYS 45 Ca -0.19 0.04 -0.69 0.00 -1.87 0.00 0.00 60.65 57.95 2i7k h LYS 45 Cb 1.11 0.14 -0.36 0.00 0.08 0.00 0.00 32.23 33.20 2i7k h LYS 45 CO 0.36 -0.41 -0.42 -1.01 -0.57 0.00 0.00 179.45 177.40 2i7k s HIS 46 N -5.19 3.40 0.17 -1.35 3.76 -1.26 -4.82 115.29 110.00 2i7k s HIS 46 Ca -0.13 -2.75 0.07 0.00 -0.15 0.00 0.00 55.06 52.10 2i7k s HIS 46 Cb 0.04 -3.15 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 2i7k s HIS 46 CO 0.48 -0.84 1.38 -1.00 -0.85 0.00 0.00 174.74 173.90 2i7k h PRO 47 N 7.07 0.03 -5.76 8.40 0.13 -1.91 -3.46 132.00 136.50 2i7k h PRO 47 Ca -0.04 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.92 2i7k h PRO 47 Cb 0.95 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.10 2i7k h PRO 47 CO 0.71 0.90 -0.82 -1.33 -0.23 0.00 0.00 178.00 177.22 2i7k n MET 48 N -3.52 -2.22 -1.06 0.86 2.81 -1.26 -2.62 117.12 110.11 2i7k n MET 48 Ca -0.01 1.88 -0.28 0.00 -1.81 0.00 0.00 57.70 57.47 2i7k n MET 48 Cb 0.84 -4.14 0.20 0.00 -0.71 0.00 0.00 33.22 29.40 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 -2.02 2.17 0.41 7.83 1.11 -1.26 -4.33 116.67 120.58 2i7k s ASP 49 Ca 0.25 1.18 0.07 0.00 0.18 0.00 0.00 52.55 54.23 2i7k s ASP 49 Cb -0.05 -1.85 0.85 0.00 1.07 0.00 0.00 42.92 42.95 2i7k s ASP 49 CO 0.75 -3.41 2.05 -0.26 1.18 0.00 0.00 175.17 175.48 2i7k h PHE 50 N -2.09 0.50 -0.15 4.23 0.04 -1.84 -0.62 116.94 117.01 2i7k h PHE 50 Ca -0.56 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.05 2i7k h PHE 50 Cb 1.33 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 39.32 2i7k h PHE 50 CO 0.17 0.33 -0.54 0.66 -0.60 0.00 0.00 178.31 178.32 2i7k h SER 51 N 0.54 0.74 -0.20 2.17 4.64 -1.76 -1.92 113.55 117.77 2i7k h SER 51 Ca 0.14 -0.61 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2i7k h SER 51 Cb -0.03 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 2i7k h SER 51 CO -0.03 1.22 0.07 0.74 -0.87 0.00 0.00 176.83 177.97 2i7k h THR 52 N 0.31 1.17 -0.57 2.95 2.02 -1.78 -1.85 112.91 115.16 2i7k h THR 52 Ca -0.02 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 2i7k h THR 52 Cb 1.17 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 2i7k h THR 52 CO 0.12 0.17 0.16 0.00 0.37 0.00 0.00 175.52 176.33 2i7k h MET 53 N 0.16 0.90 -0.93 6.66 3.00 -1.20 -2.53 114.93 120.98 2i7k h MET 53 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 59.70 59.58 2i7k h MET 53 Cb 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 31.60 31.62 2i7k h MET 53 CO -0.00 0.83 0.61 0.87 0.00 0.00 0.00 176.91 179.21 2i7k h LYS 54 N 0.81 1.18 -0.56 -0.10 1.57 -1.22 -0.21 116.57 118.04 2i7k h LYS 54 Ca 0.18 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2i7k h LYS 54 Cb 0.32 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2i7k h LYS 54 CO -0.00 0.78 0.16 1.49 -0.57 0.00 0.00 179.45 181.31 2i7k h GLU 55 N 1.22 0.88 -0.44 3.15 4.81 -1.08 -2.56 114.58 120.57 2i7k h GLU 55 Ca 0.35 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2i7k h GLU 55 Cb -0.08 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2i7k h GLU 55 CO -0.09 0.82 -0.20 0.87 -0.73 0.00 0.00 179.01 179.68 2i7k h LYS 56 N 0.79 0.87 -0.95 1.92 1.57 -0.99 -2.99 116.57 116.80 2i7k h LYS 56 Ca 0.18 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2i7k h LYS 56 Cb 0.31 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2i7k h LYS 56 CO -0.00 0.99 0.62 0.82 -0.57 0.00 0.00 179.45 181.31 2i7k h ILE 57 N 0.76 1.20 0.00 1.86 2.04 -0.85 -0.60 117.51 121.92 2i7k h ILE 57 Ca 0.11 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2i7k h ILE 57 Cb 0.73 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2i7k h ILE 57 CO 0.06 0.23 -0.00 0.11 0.00 0.00 0.00 178.15 178.54 2i7k h LYS 58 N 1.24 0.00 -0.74 2.37 1.57 -1.31 -0.41 116.57 119.29 2i7k h LYS 58 Ca 0.36 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.06 2i7k h LYS 58 Cb -0.08 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 2i7k h LYS 58 CO -0.10 0.00 0.10 0.09 -0.57 0.00 0.00 179.45 178.98 2i7k n ASN 59 N -4.02 4.44 -1.72 0.86 3.02 -0.41 -4.88 115.26 112.56 2i7k n ASN 59 Ca -0.03 -2.82 -0.20 0.00 -0.03 0.00 0.00 54.58 51.50 2i7k n ASN 59 Cb 0.09 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.52 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 0.23 -5.53 0.07 6.41 5.03 -0.16 -4.85 115.26 116.46 2i7k n ASN 60 Ca 0.26 0.40 -0.10 0.00 0.87 0.00 0.00 54.58 56.02 2i7k n ASN 60 Cb 1.07 -4.78 0.01 0.00 -1.02 0.00 0.00 39.78 35.06 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 2i7k h ASP 61 N 0.00 0.40 -3.66 6.41 3.58 -1.30 -3.41 116.42 118.44 2i7k h ASP 61 Ca -0.43 -0.29 -0.62 0.00 0.42 0.00 0.00 57.03 56.11 2i7k h ASP 61 Cb 1.34 -0.12 -0.38 0.00 1.72 0.00 0.00 39.33 41.89 2i7k h ASP 61 CO 0.61 1.05 -0.78 -0.31 -2.88 0.00 0.00 179.24 176.92 2i7k s TYR 62 N -3.43 2.63 -0.00 0.28 2.02 -1.25 -4.92 117.35 112.68 2i7k s TYR 62 Ca -0.05 -1.97 0.00 0.00 -0.37 0.00 0.00 57.07 54.69 2i7k s TYR 62 Cb 0.10 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2i7k s TYR 62 CO 0.84 -0.81 0.87 0.00 -1.57 0.00 0.00 175.55 174.87 2i7k n GLN 63 N 4.60 0.05 -4.72 -0.62 10.64 -1.26 -4.70 117.38 121.37 2i7k n GLN 63 Ca -0.10 -0.91 -0.26 0.00 -1.83 0.00 0.00 57.00 53.90 2i7k n GLN 63 Cb 0.43 -0.53 -0.17 0.00 -0.86 0.00 0.00 30.24 29.12 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2i7k s SER 64 N -0.77 2.04 0.40 2.61 1.04 -1.26 -4.95 113.70 112.81 2i7k s SER 64 Ca 0.01 -0.35 0.14 0.00 0.48 0.00 0.00 55.95 56.23 2i7k s SER 64 Cb 0.01 -0.89 0.98 0.00 0.10 0.00 0.00 66.02 66.22 2i7k s SER 64 CO 0.00 0.07 1.88 0.16 0.98 0.00 0.00 173.24 176.34 2i7k h ILE 65 N 5.82 0.77 -0.34 -1.02 -2.65 -1.97 0.47 117.51 118.60 2i7k h ILE 65 Ca -0.29 -0.17 -0.13 0.00 1.03 0.00 0.00 64.86 65.29 2i7k h ILE 65 Cb 1.19 0.23 -0.01 0.00 -2.05 0.00 0.00 36.82 36.19 2i7k h ILE 65 CO 0.47 0.09 -0.31 -0.08 0.03 0.00 0.00 178.15 178.35 2i7k h GLU 66 N 0.50 0.81 -0.10 0.16 4.81 -1.99 -1.19 114.58 117.59 2i7k h GLU 66 Ca 0.42 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2i7k h GLU 66 Cb 0.90 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 2i7k h GLU 66 CO -0.16 1.05 -0.09 0.93 -0.73 0.00 0.00 179.01 180.01 2i7k h GLU 67 N 0.59 0.23 -0.86 1.92 4.39 -1.46 -2.11 114.58 117.28 2i7k h GLU 67 Ca 0.06 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.69 2i7k h GLU 67 Cb 0.89 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.48 2i7k h GLU 67 CO 0.08 0.64 0.54 1.25 -1.16 0.00 0.00 179.01 180.36 2i7k h LEU 68 N -0.18 0.85 -0.74 1.33 7.12 -0.19 -1.80 115.31 121.71 2i7k h LEU 68 Ca 0.02 0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.96 2i7k h LEU 68 Cb 0.60 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.53 2i7k h LEU 68 CO 0.02 0.55 0.12 0.11 -0.13 0.00 0.00 178.44 179.11 2i7k h LYS 69 N 0.99 1.08 -0.54 1.25 1.57 -1.16 -1.50 116.57 118.25 2i7k h LYS 69 Ca 0.37 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2i7k h LYS 69 Cb 0.14 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2i7k h LYS 69 CO -0.16 0.98 0.32 -0.44 -0.57 0.00 0.00 179.45 179.58 2i7k h ASP 70 N 1.02 0.51 -0.03 0.86 3.32 -0.63 0.46 116.42 121.93 2i7k h ASP 70 Ca 0.20 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2i7k h ASP 70 Cb 0.42 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2i7k h ASP 70 CO 0.01 0.36 -0.04 -1.13 -1.72 0.00 0.00 179.24 176.72 2i7k h ASN 71 N 0.63 0.08 -0.28 6.45 -0.00 -1.29 -0.03 115.58 121.14 2i7k h ASN 71 Ca 0.22 -0.52 -0.01 0.00 -0.00 0.00 0.00 56.30 55.98 2i7k h ASN 71 Cb 0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.32 2i7k h ASN 71 CO -0.11 0.59 0.12 0.15 -0.00 0.00 0.00 177.43 178.18 2i7k h PHE 72 N -0.43 0.41 -0.38 0.67 3.57 -1.18 -2.56 116.94 117.05 2i7k h PHE 72 Ca 0.00 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2i7k h PHE 72 Cb 0.57 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2i7k h PHE 72 CO 0.11 0.40 -0.08 -0.22 -2.23 0.00 0.00 178.31 176.28 2i7k h LYS 73 N 0.31 0.64 -0.51 1.11 3.64 -0.16 -2.55 116.57 119.05 2i7k h LYS 73 Ca 0.09 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2i7k h LYS 73 Cb 0.15 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2i7k h LYS 73 CO -0.01 0.72 0.33 -0.07 -2.27 0.00 0.00 179.45 178.15 2i7k h LEU 74 N 0.59 0.57 -0.52 5.20 3.38 -0.71 0.22 115.31 124.04 2i7k h LEU 74 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2i7k h LEU 74 Cb 0.49 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2i7k h LEU 74 CO 0.03 0.41 0.04 -0.03 0.09 0.00 0.00 178.44 178.98 2i7k h MET 75 N 0.68 0.89 -0.56 1.13 4.05 -1.21 0.21 114.93 120.11 2i7k h MET 75 Ca 0.19 -0.26 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 2i7k h MET 75 Cb -0.07 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 2i7k h MET 75 CO -0.05 0.90 0.19 0.00 0.23 0.00 0.00 176.91 178.18 2i7k h THR 77 N 0.77 1.38 -0.32 0.00 2.02 -0.43 -1.31 112.91 115.02 2i7k h THR 77 Ca 0.18 -1.35 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 2i7k h THR 77 Cb 0.26 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2i7k h THR 77 CO -0.01 0.38 -0.24 0.78 0.37 0.00 0.00 175.52 176.81 2i7k h ASN 78 N -0.16 0.63 -0.25 4.18 4.21 -0.54 -1.55 115.58 122.10 2i7k h ASN 78 Ca 0.01 -0.22 -0.13 0.00 1.21 0.00 0.00 56.30 57.17 2i7k h ASN 78 Cb 0.68 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 2i7k h ASN 78 CO 0.03 0.86 -0.36 0.00 -1.29 0.00 0.00 177.43 176.67 2i7k h ALA 79 N 1.19 0.38 -0.39 -0.83 0.00 -0.00 -2.58 119.26 117.02 2i7k h ALA 79 Ca 0.08 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2i7k h ALA 79 Cb 0.70 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2i7k h ALA 79 CO 0.05 0.44 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 2i7k h MET 80 N 0.39 0.89 -0.63 0.00 -0.00 -1.18 -2.29 114.93 112.11 2i7k h MET 80 Ca 0.03 -0.43 -0.03 0.00 -0.00 0.00 0.00 59.70 59.27 2i7k h MET 80 Cb 0.94 -0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.51 2i7k h MET 80 CO 0.08 1.08 0.27 0.97 -0.00 0.00 0.00 176.91 179.31 2i7k h ILE 81 N 0.70 1.22 -0.77 -0.10 2.10 -1.32 -1.83 117.51 117.50 2i7k h ILE 81 Ca 0.08 -0.66 -0.34 0.00 1.08 0.00 0.00 64.86 65.02 2i7k h ILE 81 Cb 0.86 0.45 -0.20 0.00 -1.09 0.00 0.00 36.82 36.84 2i7k h ILE 81 CO 0.08 0.27 0.43 0.00 -1.08 0.00 0.00 178.15 177.84 2i7k n TYR 82 N -4.32 2.45 -2.93 2.19 9.36 -0.97 -4.64 117.16 118.29 2i7k n TYR 82 Ca 0.06 -1.41 -0.00 0.00 3.32 0.00 0.00 57.90 59.86 2i7k n TYR 82 Cb 0.16 -0.76 0.00 0.00 -0.63 0.00 0.00 39.34 38.11 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 -0.91 -1.00 1.02 2.98 3.04 -0.69 -4.99 114.94 114.39 2i7k s ASN 83 Ca 0.49 -0.70 -0.15 0.00 0.04 0.00 0.00 52.86 52.54 2i7k s ASN 83 Cb 0.40 1.29 0.20 0.00 -1.54 0.00 0.00 41.25 41.60 2i7k s ASN 83 CO 0.11 -0.09 1.14 -0.54 -3.04 0.00 0.00 177.10 174.68 2i7k s LYS 84 N 1.61 0.26 -0.62 0.43 1.02 -1.25 -4.24 119.74 116.94 2i7k s LYS 84 Ca 0.19 0.17 -0.28 0.00 0.02 0.00 0.00 55.97 56.07 2i7k s LYS 84 Cb 0.01 -1.75 -0.28 0.00 -0.52 0.00 0.00 37.83 35.29 2i7k s LYS 84 CO -0.09 -2.77 1.87 -2.30 -0.92 0.00 0.00 175.35 171.14 2i7k n PRO 85 N -4.14 0.28 -0.05 -1.68 -0.02 -1.26 -4.25 135.00 123.88 2i7k n PRO 85 Ca 0.09 -1.49 -0.03 0.00 -2.02 0.00 0.00 63.50 60.05 2i7k n PRO 85 Cb 0.59 -3.26 -0.01 0.00 -0.02 0.00 0.00 33.50 30.80 2i7k n PRO 85 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2i7k n GLU 86 N 8.01 0.32 0.00 -0.52 2.13 -1.26 -5.03 120.64 124.29 2i7k n GLU 86 Ca 0.44 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2i7k n GLU 86 Cb 0.44 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.74 2i7k n GLU 86 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2i7k n THR 87 N -3.91 0.00 -0.51 6.31 -2.24 -1.26 -5.02 114.28 107.66 2i7k n THR 87 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2i7k n THR 87 Cb 0.19 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2i7k n THR 87 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2i7k n ILE 88 N -0.54 0.08 -0.05 2.28 -0.00 -1.26 -4.78 119.36 115.09 2i7k n ILE 88 Ca 0.00 -0.29 -0.14 0.00 -0.00 0.00 0.00 62.75 62.33 2i7k n ILE 88 Cb 0.00 1.38 -0.08 0.00 -0.00 0.00 0.00 39.64 40.95 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 0.44 -0.12 4.28 0.05 -1.94 0.52 116.97 120.20 2i7k h TYR 89 Ca 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 2i7k h TYR 89 Cb 0.33 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 2i7k h TYR 89 CO 0.00 0.80 0.04 -0.92 -1.05 0.00 0.00 178.16 177.03 2i7k h TYR 90 N -0.05 0.19 -0.38 4.88 3.20 -1.74 -2.42 116.97 120.65 2i7k h TYR 90 Ca 0.01 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2i7k h TYR 90 Cb 0.75 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2i7k h TYR 90 CO 0.10 0.29 -0.13 -0.22 -1.64 0.00 0.00 178.16 176.56 2i7k h LYS 91 N 0.03 0.68 -0.36 1.82 3.64 -1.87 -2.31 116.57 118.21 2i7k h LYS 91 Ca 0.04 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2i7k h LYS 91 Cb 0.19 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2i7k h LYS 91 CO -0.00 0.79 0.16 0.00 -2.27 0.00 0.00 179.45 178.13 2i7k h ALA 92 N 1.24 0.44 -0.54 5.00 0.00 -0.71 0.98 119.26 125.66 2i7k h ALA 92 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2i7k h ALA 92 Cb 0.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2i7k h ALA 92 CO 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.10 2i7k h ALA 93 N 1.20 0.72 -0.19 0.00 0.00 -1.32 -1.65 119.26 118.03 2i7k h ALA 93 Ca 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2i7k h ALA 93 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2i7k h ALA 93 CO -0.12 0.53 0.10 -0.22 0.00 0.00 0.00 179.25 179.54 2i7k h LYS 94 N 0.82 0.27 -0.34 0.00 1.63 -0.99 0.14 116.57 118.10 2i7k h LYS 94 Ca 0.16 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2i7k h LYS 94 Cb 0.50 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2i7k h LYS 94 CO 0.02 0.27 0.17 0.87 -3.45 0.00 0.00 179.45 177.34 2i7k h LYS 95 N 0.20 0.49 -0.67 1.90 6.56 -0.76 -1.45 116.57 122.84 2i7k h LYS 95 Ca 0.07 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2i7k h LYS 95 Cb 0.08 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 2i7k h LYS 95 CO -0.01 0.43 0.29 1.25 -2.06 0.00 0.00 179.45 179.35 2i7k h LEU 96 N 0.42 0.90 -0.74 2.94 7.12 -1.17 -2.40 115.31 122.38 2i7k h LEU 96 Ca 0.12 -0.15 0.02 0.00 0.13 0.00 0.00 57.88 58.00 2i7k h LEU 96 Cb 0.10 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 39.95 2i7k h LEU 96 CO -0.02 0.80 0.47 0.25 -0.13 0.00 0.00 178.44 179.82 2i7k h LEU 97 N 0.93 0.80 -0.95 2.25 6.46 -0.45 0.48 115.31 124.83 2i7k h LEU 97 Ca 0.22 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2i7k h LEU 97 Cb 0.17 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.87 2i7k h LEU 97 CO -0.02 0.56 0.59 0.45 -0.62 0.00 0.00 178.44 179.40 2i7k h HIS 98 N 0.94 1.23 -0.32 1.25 3.86 -0.92 0.58 115.15 121.77 2i7k h HIS 98 Ca 0.29 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.34 2i7k h HIS 98 Cb -0.03 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.03 2i7k h HIS 98 CO -0.03 0.80 -0.47 1.03 0.86 0.00 0.00 177.93 180.12 2i7k h SER 99 N 1.30 0.92 -0.26 2.45 0.87 -0.90 -2.55 113.55 115.38 2i7k h SER 99 Ca 0.34 -0.45 -0.13 0.00 -1.23 0.00 0.00 61.79 60.32 2i7k h SER 99 Cb -0.09 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 2i7k h SER 99 CO -0.07 1.23 -0.31 1.23 -0.53 0.00 0.00 176.83 178.38 2i7k h GLY 100 N 0.80 0.84 1.06 5.77 0.00 -0.45 -1.85 103.07 109.23 2i7k h GLY 100 Ca 0.04 -0.78 -0.13 0.00 0.00 0.00 0.00 47.33 46.45 2i7k h GLY 100 CO 0.10 0.71 -0.28 0.00 0.00 0.00 0.00 176.54 177.08 2i7k h MET 101 N 0.65 0.87 -0.17 4.80 -0.00 -0.90 -1.46 114.93 118.72 2i7k h MET 101 Ca 0.07 -0.42 -0.04 0.00 -0.00 0.00 0.00 59.70 59.31 2i7k h MET 101 Cb 0.85 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.44 2i7k h MET 101 CO 0.07 1.06 -0.05 1.57 -0.00 0.00 0.00 176.91 179.57 2i7k h LYS 102 N 0.68 0.33 -0.72 -0.10 2.10 -1.43 -2.32 116.57 115.11 2i7k h LYS 102 Ca 0.07 -0.13 -0.05 0.00 -2.00 0.00 0.00 60.65 58.55 2i7k h LYS 102 Cb 0.85 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.13 2i7k h LYS 102 CO 0.07 0.61 0.26 -0.84 -2.00 0.00 0.00 179.45 177.55 2i7k h ILE 103 N 0.04 1.25 -0.06 0.07 -0.00 -1.37 -2.44 117.51 115.00 2i7k h ILE 103 Ca 0.04 -0.82 -0.06 0.00 -0.00 0.00 0.00 64.86 64.02 2i7k h ILE 103 Cb 0.49 0.42 -0.01 0.00 -0.00 0.00 0.00 36.82 37.72 2i7k h ILE 103 CO 0.02 0.33 -0.24 -0.07 -0.00 0.00 0.00 178.15 178.19 2i7k h LEU 104 N 1.05 0.10 -1.28 0.16 3.38 -1.22 -2.44 115.31 115.07 2i7k h LEU 104 Ca 0.24 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2i7k h LEU 104 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2i7k h LEU 104 CO -0.01 0.35 -0.24 0.28 0.09 0.00 0.00 178.44 178.91 2i7k h SER 105 N 0.10 0.18 0.40 -0.43 0.02 -0.91 -2.56 113.55 110.36 2i7k h SER 105 Ca 0.02 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2i7k h SER 105 Cb 0.48 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2i7k h SER 105 CO 0.03 0.43 -0.38 1.56 -1.14 0.00 0.00 176.83 177.34 2i7k h GLN 106 N 0.17 0.00 -0.49 3.45 4.20 -1.35 0.74 115.11 121.84 2i7k h GLN 106 Ca 0.03 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.81 2i7k h GLN 106 Cb 0.52 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 2i7k h GLN 106 CO 0.04 0.38 0.14 0.93 -0.67 0.00 0.00 178.83 179.65 2i7k h GLU 107 N 0.00 0.29 0.00 1.46 4.39 -1.47 -3.29 114.58 115.96 2i7k h GLU 107 Ca -0.00 -0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.31 2i7k h GLU 107 Cb 0.68 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.20 2i7k h GLU 107 CO 0.05 0.19 -2.38 2.89 -1.16 0.00 0.00 179.01 178.60 2i7k n ARG 108 N -5.05 0.60 0.00 2.33 1.85 -1.17 -5.09 116.66 110.13 2i7k n ARG 108 Ca 0.05 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 2i7k n ARG 108 Cb 0.21 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 2i7k n ARG 108 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2i7k n LEU 109 N -3.27 0.00 -4.45 2.89 -0.00 0.26 -4.52 117.00 107.90 2i7k n LEU 109 Ca -0.43 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.18 2i7k n LEU 109 Cb 0.95 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 44.26 2i7k n LEU 109 CO 0.23 -0.28 -0.16 -1.61 -0.00 0.00 0.00 177.39 175.56 2i7k s GLU 110 N 0.00 3.26 0.65 1.47 0.41 -1.26 -4.99 118.70 118.24 2i7k s GLU 110 Ca 0.00 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 2i7k s GLU 110 Cb 0.00 -3.70 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 2i7k s GLU 110 CO 0.00 -0.51 0.00 0.72 -0.49 0.00 0.00 175.26 174.98 2i7k n HIS 111 N 5.03 -2.84 0.00 1.61 8.25 -1.26 -4.95 115.22 121.06 2i7k n HIS 111 Ca -0.13 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 2i7k n HIS 111 Cb 0.49 -1.77 0.00 0.00 1.12 0.00 0.00 29.99 29.82 2i7k n HIS 111 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i7k n HIS 112 N -2.91 0.00 -2.65 4.41 8.25 -1.26 -5.03 115.22 116.02 2i7k n HIS 112 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 2i7k n HIS 112 Cb 0.36 0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 2i7k n HIS 112 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2i7k s HIS 113 N -0.84 3.43 -0.09 4.41 3.76 -1.26 -5.01 115.29 119.70 2i7k s HIS 113 Ca 0.00 1.52 -0.30 0.00 -0.15 0.00 0.00 55.06 56.13 2i7k s HIS 113 Cb 0.00 -3.23 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 2i7k s HIS 113 CO 0.00 -0.42 1.00 -1.01 -0.85 0.00 0.00 174.74 173.46 2i7k s HIS 114 N 2.26 3.54 0.00 1.40 0.09 -1.26 -4.72 115.29 116.60 2i7k s HIS 114 Ca 0.49 1.61 0.00 0.00 -0.00 0.00 0.00 55.06 57.15 2i7k s HIS 114 Cb -0.18 -3.18 0.00 0.00 -0.00 0.00 0.00 32.58 29.22 2i7k s HIS 114 CO 0.16 -0.19 0.00 1.58 -0.00 0.00 0.00 174.74 176.29 2i7k n HIS 115 N 4.83 -1.44 1.44 1.40 -0.00 -1.26 -5.30 115.22 114.88 2i7k n HIS 115 Ca 0.08 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.40 2i7k n HIS 115 Cb 0.49 0.29 0.47 0.00 -0.12 0.00 0.00 29.99 31.12 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52