#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 -1.15 -0.71 3.17 1.02 -1.26 -4.63 120.64 117.08 2i7k n GLU 1 Ca 0.00 0.29 -0.02 0.00 -0.02 0.00 0.00 57.16 57.41 2i7k n GLU 1 Cb 0.00 -4.34 -0.02 0.00 -0.02 0.00 0.00 31.44 27.06 2i7k n GLU 1 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2i7k n GLU 2 N -0.50 0.00 0.00 3.49 1.02 -1.26 -4.92 120.64 118.48 2i7k n GLU 2 Ca 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 2i7k n GLU 2 Cb 0.29 0.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 2i7k n GLU 2 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2i7k n VAL 3 N 0.02 0.16 -0.78 2.62 0.31 -1.26 -4.79 118.33 114.61 2i7k n VAL 3 Ca -0.09 -0.17 0.08 0.00 -0.01 0.00 0.00 64.34 64.15 2i7k n VAL 3 Cb 0.61 0.96 0.35 0.00 -0.91 0.00 0.00 33.84 34.85 2i7k n VAL 3 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i7k n GLU 4 N -0.08 4.01 0.19 5.55 1.02 -1.26 -4.38 120.64 125.69 2i7k n GLU 4 Ca 0.00 -2.95 0.14 0.00 -0.02 0.00 0.00 57.16 54.33 2i7k n GLU 4 Cb 0.45 -2.00 0.42 0.00 -0.02 0.00 0.00 31.44 30.28 2i7k n GLU 4 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2i7k h GLN 5 N 3.54 0.00 0.04 3.49 4.20 -1.98 -3.34 115.11 121.06 2i7k h GLN 5 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2i7k h GLN 5 Cb 1.62 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.35 2i7k h GLN 5 CO 0.32 0.00 -0.50 1.79 -0.67 0.00 0.00 178.83 179.77 2i7k h THR 6 N 0.00 0.05 -0.98 -0.54 1.35 -1.99 -1.99 112.91 108.82 2i7k h THR 6 Ca 0.00 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.03 2i7k h THR 6 Cb 0.70 0.05 -0.09 0.00 -1.73 0.00 0.00 68.15 67.07 2i7k h THR 6 CO 0.00 0.00 0.61 1.55 -0.25 0.00 0.00 175.52 177.43 2i7k h PRO 7 N -0.68 0.74 -0.76 4.72 0.13 -1.93 0.24 132.00 134.45 2i7k h PRO 7 Ca 0.02 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.18 2i7k h PRO 7 Cb 0.72 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.63 2i7k h PRO 7 CO -0.32 0.49 0.50 1.25 -0.23 0.00 0.00 178.00 179.68 2i7k h LEU 8 N 0.76 0.67 -0.82 1.56 5.85 -1.56 -1.42 115.31 120.34 2i7k h LEU 8 Ca 0.53 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.25 2i7k h LEU 8 Cb 0.82 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2i7k h LEU 8 CO -0.30 0.42 0.50 -0.61 -0.34 0.00 0.00 178.44 178.11 2i7k h GLN 9 N 0.75 1.11 -0.34 1.25 4.15 -0.57 -0.93 115.11 120.53 2i7k h GLN 9 Ca 0.34 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2i7k h GLN 9 Cb 0.33 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2i7k h GLN 9 CO -0.12 0.77 0.22 1.49 -1.93 0.00 0.00 178.83 179.26 2i7k h GLU 10 N 1.12 0.45 -0.65 1.69 4.57 -1.24 -1.21 114.58 119.31 2i7k h GLU 10 Ca 0.30 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 2i7k h GLU 10 Cb -0.06 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 2i7k h GLU 10 CO -0.06 0.31 0.26 0.00 -1.18 0.00 0.00 179.01 178.34 2i7k h ALA 11 N 1.12 0.84 -0.49 2.92 0.00 -1.26 -2.30 119.26 120.09 2i7k h ALA 11 Ca 0.12 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2i7k h ALA 11 Cb -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2i7k h ALA 11 CO -0.03 0.47 0.27 1.25 0.00 0.00 0.00 179.25 181.21 2i7k h LEU 12 N 0.92 0.42 -1.26 0.00 6.46 -0.79 -1.68 115.31 119.37 2i7k h LEU 12 Ca 0.22 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 2i7k h LEU 12 Cb 0.21 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 2i7k h LEU 12 CO -0.02 0.29 0.05 0.78 -0.62 0.00 0.00 178.44 178.92 2i7k h ASN 13 N 0.54 0.51 -0.28 1.25 2.35 -1.01 -2.18 115.58 116.75 2i7k h ASN 13 Ca 0.21 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2i7k h ASN 13 Cb 0.08 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2i7k h ASN 13 CO -0.12 0.55 0.06 1.56 -1.65 0.00 0.00 177.43 177.83 2i7k h GLN 14 N 0.53 0.46 -0.73 0.81 4.20 -0.78 -0.31 115.11 119.29 2i7k h GLN 14 Ca 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2i7k h GLN 14 Cb 0.27 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2i7k h GLN 14 CO 0.00 0.55 0.38 -0.07 -0.67 0.00 0.00 178.83 179.02 2i7k h LEU 15 N 0.29 0.93 -0.57 1.46 4.07 -1.07 0.12 115.31 120.54 2i7k h LEU 15 Ca 0.09 -0.11 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 2i7k h LEU 15 Cb 0.30 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2i7k h LEU 15 CO 0.00 0.78 0.11 0.24 -1.08 0.00 0.00 178.44 178.49 2i7k h MET 16 N 1.01 0.93 -0.44 1.13 2.86 -1.25 -1.88 114.93 117.29 2i7k h MET 16 Ca 0.25 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2i7k h MET 16 Cb 0.07 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2i7k h MET 16 CO -0.04 0.88 0.03 0.00 1.06 0.00 0.00 176.91 178.85 2i7k h ARG 17 N 0.83 0.75 -0.66 1.72 3.08 -0.71 -1.25 114.38 118.13 2i7k h ARG 17 Ca 0.18 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2i7k h ARG 17 Cb 0.39 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2i7k h ARG 17 CO 0.01 0.80 0.44 1.96 -1.07 0.00 0.00 179.97 182.10 2i7k h GLN 18 N 0.60 0.87 -0.62 0.04 4.20 -0.84 0.12 115.11 119.47 2i7k h GLN 18 Ca 0.13 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 2i7k h GLN 18 Cb 0.44 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2i7k h GLN 18 CO 0.02 0.57 0.08 -0.07 -0.67 0.00 0.00 178.83 178.76 2i7k h LEU 19 N 0.89 1.00 -0.73 1.46 3.38 -1.20 -2.91 115.31 117.20 2i7k h LEU 19 Ca 0.24 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2i7k h LEU 19 Cb -0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 2i7k h LEU 19 CO -0.06 1.02 -0.23 1.56 0.09 0.00 0.00 178.44 180.82 2i7k h GLN 20 N 0.94 0.71 0.00 1.13 1.08 -0.77 -2.66 115.11 115.54 2i7k h GLN 20 Ca 0.18 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2i7k h GLN 20 Cb 0.46 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2i7k h GLN 20 CO 0.02 0.88 0.00 -0.09 -0.95 0.00 0.00 178.83 178.69 2i7k h ARG 21 N 0.62 0.00 0.00 1.46 2.43 -0.59 -3.31 114.38 114.99 2i7k h ARG 21 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2i7k h ARG 21 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2i7k h ARG 21 CO 0.06 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.15 2i7k n LYS 22 N -2.53 0.00 0.00 0.20 4.76 -1.00 -4.97 118.16 114.62 2i7k n LYS 22 Ca 0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 2i7k n LYS 22 Cb 0.17 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2i7k n LYS 22 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2i7k n ASP 23 N -1.91 0.00 0.08 4.39 9.92 -1.25 -4.98 116.55 122.81 2i7k n ASP 23 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2i7k n ASP 23 Cb 0.00 0.00 0.46 0.00 -0.64 0.00 0.00 41.12 40.94 2i7k n ASP 23 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2i7k h PRO 24 N 0.00 0.35 0.00 -0.24 0.11 -1.89 -2.05 132.00 128.29 2i7k h PRO 24 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2i7k h PRO 24 Cb 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 2i7k h PRO 24 CO 0.00 0.30 -0.00 1.03 -0.21 0.00 0.00 178.00 179.11 2i7k h SER 25 N 0.35 0.00 -0.72 -2.05 0.87 -1.80 -2.26 113.55 107.95 2i7k h SER 25 Ca 0.09 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.83 2i7k h SER 25 Cb 0.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2i7k h SER 25 CO -0.01 0.00 0.50 0.00 -0.53 0.00 0.00 176.83 176.79 2i7k h ALA 26 N 2.00 2.44 -0.12 6.23 0.00 -1.58 -0.10 119.26 128.12 2i7k h ALA 26 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2i7k h ALA 26 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2i7k h ALA 26 CO 0.00 -0.65 -0.28 0.74 0.00 0.00 0.00 179.25 179.06 2i7k h PHE 27 N 0.16 0.51 -0.99 0.00 -1.00 -1.61 -3.23 116.94 110.78 2i7k h PHE 27 Ca 0.35 -0.19 -0.62 0.00 2.81 0.00 0.00 57.97 60.31 2i7k h PHE 27 Cb 1.15 -0.09 -0.29 0.00 3.61 0.00 0.00 35.95 40.32 2i7k h PHE 27 CO -0.00 0.89 0.80 1.19 -1.61 0.00 0.00 178.31 179.58 2i7k n PHE 28 N -4.43 3.17 0.35 -0.55 3.72 -0.51 -4.48 117.46 114.73 2i7k n PHE 28 Ca -0.07 -2.63 0.06 0.00 -0.05 0.00 0.00 57.45 54.76 2i7k n PHE 28 Cb 0.46 -1.28 0.21 0.00 -0.94 0.00 0.00 39.48 37.93 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 -0.98 2.85 -3.92 4.37 2.88 -0.17 -2.41 113.62 116.25 2i7k n SER 29 Ca 0.62 -2.19 -0.10 0.00 -1.33 0.00 0.00 58.87 55.87 2i7k n SER 29 Cb 1.00 -0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.62 0.14 -0.45 0.66 0.40 -1.26 -4.22 117.98 111.63 2i7k s PHE 30 Ca 0.30 -0.33 -0.27 0.00 -0.60 0.00 0.00 56.93 56.03 2i7k s PHE 30 Cb 0.19 -0.11 -0.03 0.00 0.51 0.00 0.00 43.02 43.58 2i7k s PHE 30 CO 0.17 -0.28 1.94 -1.25 0.70 0.00 0.00 175.22 176.49 2i7k s PRO 31 N -1.71 2.89 0.54 0.24 0.04 -1.26 -4.75 135.00 130.99 2i7k s PRO 31 Ca -0.13 1.17 -0.20 0.00 0.04 0.00 0.00 61.00 61.89 2i7k s PRO 31 Cb -0.07 -4.33 -0.07 0.00 0.04 0.00 0.00 34.50 30.07 2i7k s PRO 31 CO -0.01 -2.39 0.84 1.33 0.04 0.00 0.00 177.00 176.81 2i7k n VAL 32 N 7.45 2.94 -3.39 -0.36 0.24 -1.26 -4.95 118.33 118.99 2i7k n VAL 32 Ca 0.24 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2i7k n VAL 32 Cb 0.50 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.39 0.00 1.21 3.34 -1.04 -1.26 -4.88 114.28 110.25 2i7k n THR 33 Ca 0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.25 2i7k n THR 33 Cb 0.45 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 69.58 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 -1.49 0.00 0.00 8.00 -0.08 -1.26 -2.05 116.55 119.67 2i7k n ASP 34 Ca 0.00 -0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 2i7k n ASP 34 Cb 0.00 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.25 2i7k n ASP 34 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2i7k n PHE 35 N -1.21 0.00 0.02 -0.67 -0.00 -1.26 -4.75 117.46 109.59 2i7k n PHE 35 Ca 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.58 2i7k n PHE 35 Cb 0.16 0.06 0.32 0.00 -0.00 0.00 0.00 39.48 40.02 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 0.00 1.19 -2.42 -2.13 2.04 -1.93 -3.43 117.51 110.82 2i7k h ILE 36 Ca 0.00 -0.74 -0.55 0.00 1.00 0.00 0.00 64.86 64.57 2i7k h ILE 36 Cb 0.76 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 2i7k h ILE 36 CO 0.00 0.25 -0.58 0.00 0.00 0.00 0.00 178.15 177.82 2i7k s ALA 37 N -4.96 3.43 -2.00 1.87 0.00 -0.87 -4.78 121.76 114.46 2i7k s ALA 37 Ca -0.07 -1.41 0.16 0.00 0.00 0.00 0.00 51.96 50.64 2i7k s ALA 37 Cb 0.16 -1.16 0.96 0.00 0.00 0.00 0.00 23.12 23.07 2i7k s ALA 37 CO 0.76 0.35 1.44 -2.30 0.00 0.00 0.00 175.76 176.00 2i7k n PRO 38 N -0.76 0.73 0.00 0.00 -0.02 -1.26 -4.57 135.00 129.11 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 0.57 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 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 0.38 0.18 0.16 -1.23 0.00 -1.26 -5.05 105.19 98.38 2i7k n GLY 39 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.45 0.00 1.61 -1.99 -1.80 -1.45 116.97 113.79 2i7k h TYR 40 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2i7k h TYR 40 Cb 0.00 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 38.58 2i7k h TYR 40 CO 0.00 0.28 -0.03 1.03 -0.00 0.00 0.00 178.16 179.44 2i7k h SER 41 N 0.49 0.00 -0.00 3.88 0.87 -1.79 1.12 113.55 118.11 2i7k h SER 41 Ca 0.14 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2i7k h SER 41 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2i7k h SER 41 CO -0.03 0.03 -0.01 -0.03 -0.53 0.00 0.00 176.83 176.26 2i7k h MET 42 N 0.00 0.01 0.00 2.24 -1.53 -1.66 -3.41 114.93 110.57 2i7k h MET 42 Ca -0.00 -0.01 -0.35 0.00 -3.44 0.00 0.00 59.70 55.90 2i7k h MET 42 Cb 0.09 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.08 2i7k h MET 42 CO 0.00 0.77 -2.26 1.51 0.14 0.00 0.00 176.91 177.07 2i7k n ILE 43 N -4.72 1.25 -2.99 1.77 0.13 -0.94 -4.80 119.36 109.07 2i7k n ILE 43 Ca -0.09 -0.41 -0.44 0.00 -1.10 0.00 0.00 62.75 60.71 2i7k n ILE 43 Cb 0.38 -1.51 -0.02 0.00 -0.84 0.00 0.00 39.64 37.65 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 -2.43 4.91 0.16 9.51 -1.09 0.38 -4.91 121.20 127.73 2i7k s ILE 44 Ca -0.31 -1.89 -0.24 0.00 -2.23 0.00 0.00 60.65 55.98 2i7k s ILE 44 Cb 0.10 -4.76 0.03 0.00 -1.58 0.00 0.00 42.46 36.25 2i7k s ILE 44 CO 0.46 -1.46 1.60 0.11 -1.23 0.00 0.00 174.94 174.42 2i7k h LYS 45 N 8.40 -0.29 -3.23 2.79 6.56 -1.79 -3.33 116.57 125.68 2i7k h LYS 45 Ca 0.18 0.02 -0.64 0.00 -1.06 0.00 0.00 60.65 59.15 2i7k h LYS 45 Cb 1.00 0.07 -0.41 0.00 -0.57 0.00 0.00 32.23 32.32 2i7k h LYS 45 CO 1.08 -0.19 -0.55 -3.38 -2.06 0.00 0.00 179.45 174.35 2i7k s HIS 46 N -5.98 3.45 -1.10 -1.35 -3.43 -1.26 -4.87 115.29 100.74 2i7k s HIS 46 Ca -0.15 -3.23 -0.13 0.00 -0.80 0.00 0.00 55.06 50.75 2i7k s HIS 46 Cb 0.12 -2.81 0.20 0.00 -1.43 0.00 0.00 32.58 28.66 2i7k s HIS 46 CO 0.67 -0.64 1.23 -1.25 -2.00 0.00 0.00 174.74 172.74 2i7k s PRO 47 N -0.96 4.00 -1.11 -0.38 0.04 -1.25 -4.66 135.00 130.67 2i7k s PRO 47 Ca 0.22 -2.63 -0.22 0.00 0.04 0.00 0.00 61.00 58.40 2i7k s PRO 47 Cb -0.13 -4.83 -0.04 0.00 0.04 0.00 0.00 34.50 29.54 2i7k s PRO 47 CO -0.10 -1.57 1.86 -1.64 0.04 0.00 0.00 177.00 175.60 2i7k s MET 48 N 0.78 2.85 1.18 4.56 -1.94 -1.26 -4.64 119.30 120.83 2i7k s MET 48 Ca 0.35 -1.06 -0.16 0.00 -1.71 0.00 0.00 55.69 53.11 2i7k s MET 48 Cb -0.06 -5.25 0.28 0.00 2.01 0.00 0.00 34.83 31.81 2i7k s MET 48 CO -0.05 -3.39 1.04 -0.51 -0.01 0.00 0.00 175.02 172.10 2i7k s ASP 49 N 6.41 0.97 0.41 3.03 1.11 -1.26 -4.57 116.67 122.76 2i7k s ASP 49 Ca 0.65 1.11 0.07 0.00 0.18 0.00 0.00 52.55 54.56 2i7k s ASP 49 Cb -0.02 -1.70 0.85 0.00 1.07 0.00 0.00 42.92 43.12 2i7k s ASP 49 CO 0.07 -4.15 2.05 -0.26 1.18 0.00 0.00 175.17 174.05 2i7k h PHE 50 N -2.59 0.51 -0.16 4.23 -1.00 -1.79 -0.37 116.94 115.77 2i7k h PHE 50 Ca -0.54 0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.07 2i7k h PHE 50 Cb 1.33 -0.17 0.01 0.00 3.61 0.00 0.00 35.95 40.73 2i7k h PHE 50 CO -0.82 0.34 -0.60 1.03 -1.61 0.00 0.00 178.31 176.65 2i7k h SER 51 N 0.54 0.79 -0.02 2.17 0.87 -1.73 -1.82 113.55 114.35 2i7k h SER 51 Ca 0.14 -0.61 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2i7k h SER 51 Cb -0.03 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2i7k h SER 51 CO -0.03 1.27 -0.00 0.74 -0.53 0.00 0.00 176.83 178.28 2i7k h THR 52 N 0.36 1.29 -0.68 2.23 2.02 -1.80 -2.45 112.91 113.88 2i7k h THR 52 Ca -0.03 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 2i7k h THR 52 Cb 1.23 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.45 2i7k h THR 52 CO 0.13 0.23 0.34 0.00 0.37 0.00 0.00 175.52 176.59 2i7k h MET 53 N -0.32 0.98 -0.68 6.66 -0.00 -1.17 -2.33 114.93 118.08 2i7k h MET 53 Ca 0.01 -0.14 0.02 0.00 -0.00 0.00 0.00 59.70 59.59 2i7k h MET 53 Cb 0.38 -0.18 -0.04 0.00 -0.00 0.00 0.00 31.60 31.76 2i7k h MET 53 CO 0.00 0.77 0.43 -0.22 -0.00 0.00 0.00 176.91 177.89 2i7k h LYS 54 N 0.95 0.83 -0.62 -0.10 3.64 -1.33 -0.56 116.57 119.39 2i7k h LYS 54 Ca 0.24 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2i7k h LYS 54 Cb 0.10 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2i7k h LYS 54 CO -0.03 0.55 0.22 1.49 -2.27 0.00 0.00 179.45 179.41 2i7k h GLU 55 N 0.86 0.92 -0.35 1.90 4.81 -1.20 -2.55 114.58 118.97 2i7k h GLU 55 Ca 0.26 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2i7k h GLU 55 Cb -0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2i7k h GLU 55 CO -0.09 0.77 -0.05 0.87 -0.73 0.00 0.00 179.01 179.79 2i7k h LYS 56 N 0.90 0.66 -0.99 1.92 6.56 -0.82 -3.06 116.57 121.73 2i7k h LYS 56 Ca 0.21 -0.23 0.04 0.00 -1.06 0.00 0.00 60.65 59.61 2i7k h LYS 56 Cb 0.21 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 31.77 2i7k h LYS 56 CO -0.01 0.80 0.65 0.82 -2.06 0.00 0.00 179.45 179.64 2i7k h ILE 57 N 0.46 1.15 -0.03 1.86 2.04 -0.84 0.27 117.51 122.42 2i7k h ILE 57 Ca 0.09 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2i7k h ILE 57 Cb 0.53 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2i7k h ILE 57 CO 0.03 0.22 0.06 0.11 0.00 0.00 0.00 178.15 178.57 2i7k h LYS 58 N 1.23 0.00 -0.52 2.37 1.57 -1.36 0.08 116.57 119.95 2i7k h LYS 58 Ca 0.40 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.12 2i7k h LYS 58 Cb 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2i7k h LYS 58 CO -0.13 0.00 0.06 0.09 -0.57 0.00 0.00 179.45 178.90 2i7k n ASN 59 N -3.57 4.88 -1.35 0.86 3.02 -0.34 -4.91 115.26 113.85 2i7k n ASN 59 Ca -0.02 -3.07 -0.16 0.00 -0.03 0.00 0.00 54.58 51.30 2i7k n ASN 59 Cb 0.14 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 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 0.04 -4.94 0.05 6.41 5.03 0.02 -4.87 115.26 116.99 2i7k n ASN 60 Ca 0.30 0.33 -0.12 0.00 0.87 0.00 0.00 54.58 55.96 2i7k n ASN 60 Cb 1.16 -3.91 -0.02 0.00 -1.02 0.00 0.00 39.78 36.00 2i7k n ASN 60 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2i7k h ASP 61 N 0.00 0.55 -3.74 6.41 5.19 -1.16 -3.41 116.42 120.26 2i7k h ASP 61 Ca -0.34 -0.40 -0.64 0.00 -0.62 0.00 0.00 57.03 55.03 2i7k h ASP 61 Cb 1.10 -0.16 -0.38 0.00 0.18 0.00 0.00 39.33 40.07 2i7k h ASP 61 CO 0.48 1.17 -0.78 -0.31 -3.12 0.00 0.00 179.24 176.68 2i7k s TYR 62 N -3.46 2.96 0.00 4.55 2.02 -1.25 -4.90 117.35 117.28 2i7k s TYR 62 Ca -0.06 -2.19 0.04 0.00 -0.37 0.00 0.00 57.07 54.50 2i7k s TYR 62 Cb 0.09 -1.92 0.07 0.00 -0.40 0.00 0.00 41.96 39.81 2i7k s TYR 62 CO 0.86 -0.85 0.87 0.94 -1.57 0.00 0.00 175.55 175.80 2i7k n GLN 63 N 4.51 0.00 -4.49 -0.62 7.27 -1.26 -4.64 117.38 118.15 2i7k n GLN 63 Ca -0.11 -0.85 -0.22 0.00 0.07 0.00 0.00 57.00 55.89 2i7k n GLN 63 Cb 0.43 -0.13 -0.16 0.00 2.41 0.00 0.00 30.24 32.79 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2i7k s SER 64 N -0.85 1.48 0.34 1.69 0.01 -1.26 -5.00 113.70 110.12 2i7k s SER 64 Ca 0.06 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.16 2i7k s SER 64 Cb 0.06 -0.53 0.79 0.00 0.21 0.00 0.00 66.02 66.55 2i7k s SER 64 CO -0.03 0.05 1.86 0.16 0.41 0.00 0.00 173.24 175.69 2i7k h ILE 65 N 5.64 0.83 -0.24 1.44 3.07 -1.98 0.33 117.51 126.60 2i7k h ILE 65 Ca -0.33 -0.25 -0.09 0.00 1.55 0.00 0.00 64.86 65.74 2i7k h ILE 65 Cb 1.17 0.04 -0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2i7k h ILE 65 CO 0.48 0.13 -0.20 -0.08 -1.05 0.00 0.00 178.15 177.44 2i7k h GLU 66 N 0.73 0.56 -0.15 0.16 4.81 -1.99 -1.58 114.58 117.13 2i7k h GLU 66 Ca 0.46 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2i7k h GLU 66 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2i7k h GLU 66 CO -0.22 0.86 0.03 0.93 -0.73 0.00 0.00 179.01 179.87 2i7k h GLU 67 N 0.27 0.24 -0.82 1.92 4.39 -1.61 -1.53 114.58 117.44 2i7k h GLU 67 Ca 0.04 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2i7k h GLU 67 Cb 0.74 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 2i7k h GLU 67 CO 0.05 0.42 0.51 -0.07 -1.16 0.00 0.00 179.01 178.76 2i7k h LEU 68 N 0.03 0.98 -0.70 1.33 -0.00 -0.44 -2.02 115.31 114.48 2i7k h LEU 68 Ca 0.05 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.81 2i7k h LEU 68 Cb 0.29 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 2i7k h LEU 68 CO 0.00 0.74 0.20 0.50 -0.00 0.00 0.00 178.44 179.88 2i7k h LYS 69 N 1.13 1.10 -0.31 1.13 3.11 -1.18 -1.15 116.57 120.39 2i7k h LYS 69 Ca 0.30 -0.25 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2i7k h LYS 69 Cb -0.07 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.00 2i7k h LYS 69 CO -0.06 0.96 0.15 -0.44 -2.81 0.00 0.00 179.45 177.25 2i7k h ASP 70 N 1.04 0.41 -0.08 4.20 5.19 -0.85 0.20 116.42 126.53 2i7k h ASP 70 Ca 0.22 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2i7k h ASP 70 Cb 0.34 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2i7k h ASP 70 CO -0.00 0.41 0.01 -1.13 -3.12 0.00 0.00 179.24 175.41 2i7k h ASN 71 N 0.37 0.12 -0.58 6.45 -1.24 -1.26 0.31 115.58 119.76 2i7k h ASN 71 Ca 0.11 -0.27 -0.03 0.00 0.71 0.00 0.00 56.30 56.81 2i7k h ASN 71 Cb 0.11 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 2i7k h ASN 71 CO -0.01 0.36 0.24 0.15 -1.29 0.00 0.00 177.43 176.88 2i7k h PHE 72 N -0.12 0.90 -0.07 0.67 3.57 -1.17 -2.55 116.94 118.17 2i7k h PHE 72 Ca 0.02 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2i7k h PHE 72 Cb 0.29 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2i7k h PHE 72 CO 0.02 0.69 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.55 2i7k h LYS 73 N 0.88 0.14 -0.37 1.11 3.64 -0.43 -1.99 116.57 119.56 2i7k h LYS 73 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2i7k h LYS 73 Cb 0.17 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2i7k h LYS 73 CO -0.02 0.48 0.24 1.37 -2.27 0.00 0.00 179.45 179.25 2i7k h LEU 74 N -0.20 0.43 -0.26 5.20 8.10 -0.80 0.41 115.31 128.19 2i7k h LEU 74 Ca 0.02 -0.02 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2i7k h LEU 74 Cb 0.43 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 2i7k h LEU 74 CO 0.01 0.32 -0.00 -0.03 -4.11 0.00 0.00 178.44 174.63 2i7k h MET 75 N 0.50 0.45 -0.10 0.17 4.05 -1.52 0.53 114.93 119.02 2i7k h MET 75 Ca 0.14 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2i7k h MET 75 Cb -0.04 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 2i7k h MET 75 CO -0.03 0.62 0.05 0.00 0.23 0.00 0.00 176.91 177.78 2i7k h THR 77 N 0.10 1.29 -0.10 0.00 2.02 -0.90 -2.48 112.91 112.84 2i7k h THR 77 Ca 0.04 -1.58 -0.12 0.00 0.77 0.00 0.00 66.41 65.52 2i7k h THR 77 Cb 0.00 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2i7k h THR 77 CO -0.03 0.51 -0.48 0.78 0.37 0.00 0.00 175.52 176.67 2i7k h ASN 78 N 0.57 0.28 -0.03 4.18 2.35 0.35 -0.85 115.58 122.43 2i7k h ASN 78 Ca 0.05 -0.13 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 2i7k h ASN 78 Cb 0.94 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 2i7k h ASN 78 CO 0.09 0.72 -0.57 0.00 -1.65 0.00 0.00 177.43 176.01 2i7k h ALA 79 N 1.29 0.62 0.00 -0.83 0.00 0.25 -2.54 119.26 118.06 2i7k h ALA 79 Ca 0.01 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 2i7k h ALA 79 Cb 0.92 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2i7k h ALA 79 CO 0.08 0.69 -0.99 0.00 0.00 0.00 0.00 179.25 179.02 2i7k h MET 80 N 0.48 0.01 -0.08 0.00 -0.00 -1.34 -3.06 114.93 110.94 2i7k h MET 80 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.64 2i7k h MET 80 Cb 1.13 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.74 2i7k h MET 80 CO 0.11 0.99 -0.13 0.97 -0.00 0.00 0.00 176.91 178.86 2i7k h ILE 81 N 0.00 1.40 -0.78 -0.10 6.09 -1.15 -3.19 117.51 119.78 2i7k h ILE 81 Ca -0.01 -1.39 -0.48 0.00 -1.37 0.00 0.00 64.86 61.61 2i7k h ILE 81 Cb 1.75 2.13 -0.23 0.00 0.47 0.00 0.00 36.82 40.94 2i7k h ILE 81 CO 0.13 0.39 0.62 0.00 -3.07 0.00 0.00 178.15 176.22 2i7k n TYR 82 N -4.63 2.47 -3.06 2.19 9.36 -0.96 -4.66 117.16 117.88 2i7k n TYR 82 Ca -0.07 -2.22 0.03 0.00 3.32 0.00 0.00 57.90 58.95 2i7k n TYR 82 Cb 0.36 -1.09 -0.00 0.00 -0.63 0.00 0.00 39.34 37.98 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 0.79 2.98 3.84 -1.16 -4.98 114.94 114.51 2i7k s ASN 83 Ca 0.48 -0.28 -0.10 0.00 0.21 0.00 0.00 52.86 53.17 2i7k s ASN 83 Cb 0.39 1.40 0.07 0.00 -0.55 0.00 0.00 41.25 42.55 2i7k s ASN 83 CO 0.03 -0.14 1.10 -1.59 -2.79 0.00 0.00 177.10 173.70 2i7k s LYS 84 N 2.26 2.12 -0.77 0.43 -2.85 -1.26 -4.56 119.74 115.11 2i7k s LYS 84 Ca 0.17 1.20 -0.27 0.00 -1.00 0.00 0.00 55.97 56.06 2i7k s LYS 84 Cb -0.03 -1.88 -0.27 0.00 -2.06 0.00 0.00 37.83 33.60 2i7k s LYS 84 CO -0.16 -1.75 1.94 -0.35 0.10 0.00 0.00 175.35 175.13 2i7k n PRO 85 N -3.60 0.06 0.01 1.78 -0.04 -1.26 -4.62 135.00 127.33 2i7k n PRO 85 Ca 0.09 -1.47 -0.02 0.00 -0.04 0.00 0.00 63.50 62.07 2i7k n PRO 85 Cb 0.53 -3.48 -0.01 0.00 -0.04 0.00 0.00 33.50 30.51 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 11.14 -0.11 0.00 0.54 5.08 -1.98 -3.49 114.58 125.76 2i7k h GLU 86 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2i7k h GLU 86 Cb 0.92 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2i7k h GLU 86 CO 1.27 -0.07 0.00 0.25 -1.00 0.00 0.00 179.01 179.46 2i7k n THR 87 N -4.49 0.00 -0.04 1.13 -2.24 -1.26 -5.01 114.28 102.37 2i7k n THR 87 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2i7k n THR 87 Cb 0.05 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.66 0.00 -0.09 2.28 -0.00 -1.26 -4.70 119.36 114.93 2i7k n ILE 88 Ca 0.00 -0.43 -0.08 0.00 -0.00 0.00 0.00 62.75 62.23 2i7k n ILE 88 Cb 0.00 1.04 -0.01 0.00 -0.00 0.00 0.00 39.64 40.67 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 0.33 116.97 115.01 2i7k h TYR 89 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2i7k h TYR 89 Cb 0.02 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 38.63 2i7k h TYR 89 CO 0.00 0.20 0.02 -0.92 -0.00 0.00 0.00 178.16 177.46 2i7k h TYR 90 N 0.38 0.16 -0.94 4.88 3.20 -1.83 -2.54 116.97 120.28 2i7k h TYR 90 Ca 0.13 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2i7k h TYR 90 Cb 0.00 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 2i7k h TYR 90 CO -0.08 0.35 0.62 0.87 -1.64 0.00 0.00 178.16 178.28 2i7k h LYS 91 N -0.07 1.24 -0.39 1.82 1.57 -1.80 -1.40 116.57 117.54 2i7k h LYS 91 Ca 0.03 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2i7k h LYS 91 Cb 0.27 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2i7k h LYS 91 CO 0.00 0.82 0.17 0.00 -0.57 0.00 0.00 179.45 179.88 2i7k h ALA 92 N 1.34 0.48 -0.57 3.86 0.00 -0.21 0.18 119.26 124.34 2i7k h ALA 92 Ca 0.34 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2i7k h ALA 92 Cb -0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2i7k h ALA 92 CO -0.07 -0.20 0.05 0.00 0.00 0.00 0.00 179.25 179.02 2i7k h ALA 93 N 1.23 0.76 -0.16 0.00 0.00 -1.09 -1.40 119.26 118.59 2i7k h ALA 93 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2i7k h ALA 93 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2i7k h ALA 93 CO -0.15 0.55 0.04 -0.22 0.00 0.00 0.00 179.25 179.46 2i7k h LYS 94 N 0.86 0.26 -0.53 0.00 3.64 -0.82 -1.30 116.57 118.68 2i7k h LYS 94 Ca 0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2i7k h LYS 94 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2i7k h LYS 94 CO 0.02 0.42 0.27 0.87 -2.27 0.00 0.00 179.45 178.76 2i7k h LYS 95 N 0.06 0.75 -0.37 1.90 1.79 -0.62 -2.41 116.57 117.67 2i7k h LYS 95 Ca 0.05 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 2i7k h LYS 95 Cb 0.28 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2i7k h LYS 95 CO 0.00 0.61 0.06 -0.07 -1.08 0.00 0.00 179.45 178.97 2i7k h LEU 96 N 0.71 0.51 -0.36 2.94 -0.00 -1.19 -2.45 115.31 115.47 2i7k h LEU 96 Ca 0.18 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.96 2i7k h LEU 96 Cb 0.09 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 2i7k h LEU 96 CO -0.03 0.54 0.14 0.25 -0.00 0.00 0.00 178.44 179.35 2i7k h LEU 97 N 0.54 0.49 -0.53 1.67 6.46 -0.77 -0.11 115.31 123.07 2i7k h LEU 97 Ca 0.12 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2i7k h LEU 97 Cb 0.25 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 2i7k h LEU 97 CO 0.00 0.52 0.28 -0.74 -0.62 0.00 0.00 178.44 177.89 2i7k h HIS 98 N 0.43 0.73 -0.73 1.25 2.76 -1.16 -1.55 115.15 116.88 2i7k h HIS 98 Ca 0.12 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2i7k h HIS 98 Cb 0.18 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 2i7k h HIS 98 CO -0.00 0.55 0.30 0.77 -1.30 0.00 0.00 177.93 178.24 2i7k h SER 99 N 0.71 1.01 -0.24 3.26 0.02 -1.30 -2.48 113.55 114.53 2i7k h SER 99 Ca 0.18 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2i7k h SER 99 Cb 0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2i7k h SER 99 CO -0.03 0.90 0.06 1.23 -1.14 0.00 0.00 176.83 177.85 2i7k h GLY 100 N 1.05 0.51 1.10 -3.77 0.00 -0.60 -1.00 103.07 100.36 2i7k h GLY 100 Ca 0.25 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 2i7k h GLY 100 CO -0.02 0.25 -0.41 -0.33 0.00 0.00 0.00 176.54 176.03 2i7k h MET 101 N 0.47 0.88 -0.11 4.80 2.86 -0.89 -2.21 114.93 120.74 2i7k h MET 101 Ca 0.11 -0.49 -0.05 0.00 -2.06 0.00 0.00 59.70 57.22 2i7k h MET 101 Cb 0.21 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2i7k h MET 101 CO -0.00 1.13 -0.11 0.87 1.06 0.00 0.00 176.91 179.86 2i7k h LYS 102 N 0.68 0.27 -0.94 1.72 1.57 -1.13 -2.86 116.57 115.87 2i7k h LYS 102 Ca 0.05 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2i7k h LYS 102 Cb 1.00 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 2i7k h LYS 102 CO 0.10 0.68 0.58 -0.84 -0.57 0.00 0.00 179.45 179.40 2i7k h ILE 103 N -0.14 1.25 0.00 1.86 -0.00 -1.25 -1.98 117.51 117.26 2i7k h ILE 103 Ca 0.02 -0.53 -0.04 0.00 -0.00 0.00 0.00 64.86 64.31 2i7k h ILE 103 Cb 0.64 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.82 37.36 2i7k h ILE 103 CO 0.03 0.26 -0.18 -0.07 -0.00 0.00 0.00 178.15 178.19 2i7k h LEU 104 N 1.29 0.00 -1.69 0.16 4.07 -1.41 -2.56 115.31 115.18 2i7k h LEU 104 Ca 0.34 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.43 2i7k h LEU 104 Cb -0.08 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.62 2i7k h LEU 104 CO -0.07 0.18 0.43 -1.28 -1.08 0.00 0.00 178.44 176.63 2i7k h SER 105 N 0.00 0.30 -0.57 -0.43 0.87 -1.11 -1.07 113.55 111.54 2i7k h SER 105 Ca -0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2i7k h SER 105 Cb 0.35 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2i7k h SER 105 CO 0.02 0.17 0.22 1.56 -0.53 0.00 0.00 176.83 178.27 2i7k h GLN 106 N 0.33 0.85 -0.24 2.24 7.50 -1.55 -2.67 115.11 121.57 2i7k h GLN 106 Ca 0.30 -0.16 -0.07 0.00 0.50 0.00 0.00 58.65 59.22 2i7k h GLN 106 Cb 0.74 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.12 2i7k h GLN 106 CO -0.08 0.74 -0.18 0.93 -1.50 0.00 0.00 178.83 178.75 2i7k h GLU 107 N 0.78 0.41 -4.19 1.46 4.39 -1.35 -3.36 114.58 112.72 2i7k h GLU 107 Ca 0.19 -0.13 -0.76 0.00 0.34 0.00 0.00 59.36 59.00 2i7k h GLU 107 Cb 0.22 -0.04 -0.23 0.00 -0.10 0.00 0.00 28.75 28.59 2i7k h GLU 107 CO -0.01 0.58 0.55 0.50 -1.16 0.00 0.00 179.01 179.46 2i7k s ARG 108 N -4.63 3.82 0.00 2.33 3.52 -0.93 -4.31 118.95 118.75 2i7k s ARG 108 Ca -0.06 -2.50 0.00 0.00 -0.13 0.00 0.00 55.73 53.04 2i7k s ARG 108 Cb 0.14 -4.67 0.00 0.00 -1.56 0.00 0.00 34.95 28.86 2i7k s ARG 108 CO 0.77 -1.47 0.00 -0.11 -0.81 0.00 0.00 175.30 173.68 2i7k n LEU 109 N 4.53 0.00 -4.76 -0.88 0.00 -1.26 -4.86 117.00 109.77 2i7k n LEU 109 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.90 2i7k n LEU 109 Cb 0.45 0.12 0.06 0.00 0.00 0.00 0.00 43.42 44.04 2i7k n LEU 109 CO 0.45 -0.12 0.75 -1.61 0.00 0.00 0.00 177.39 176.86 2i7k s GLU 110 N -1.68 2.66 -0.93 1.96 2.02 -1.26 -4.99 118.70 116.47 2i7k s GLU 110 Ca 0.00 1.43 -0.07 0.00 0.02 0.00 0.00 54.97 56.35 2i7k s GLU 110 Cb 0.00 -1.93 0.24 0.00 0.10 0.00 0.00 34.13 32.54 2i7k s GLU 110 CO 0.00 -1.37 0.87 -1.01 0.02 0.00 0.00 175.26 173.77 2i7k s HIS 111 N -2.32 3.96 0.00 1.61 3.76 -1.26 -4.68 115.29 116.36 2i7k s HIS 111 Ca 0.68 -2.64 0.00 0.00 -0.15 0.00 0.00 55.06 52.95 2i7k s HIS 111 Cb -0.22 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 29.88 2i7k s HIS 111 CO 0.43 -0.89 0.00 1.58 -0.85 0.00 0.00 174.74 175.01 2i7k n HIS 112 N 2.96 0.00 -2.01 1.40 -0.00 -1.26 -5.06 115.22 111.25 2i7k n HIS 112 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.49 2i7k n HIS 112 Cb 0.40 0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.55 2i7k n HIS 112 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2i7k s HIS 113 N -1.94 3.08 -0.16 1.57 -3.43 -1.26 -4.92 115.29 108.22 2i7k s HIS 113 Ca 0.00 0.86 0.18 0.00 -0.80 0.00 0.00 55.06 55.30 2i7k s HIS 113 Cb 0.00 -3.83 0.27 0.00 -1.43 0.00 0.00 32.58 27.59 2i7k s HIS 113 CO 0.00 -2.90 1.54 0.45 -2.00 0.00 0.00 174.74 171.84 2i7k h HIS 114 N 6.03 0.00 -4.49 0.38 3.86 -1.97 -3.49 115.15 115.47 2i7k h HIS 114 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2i7k h HIS 114 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2i7k h HIS 114 CO 0.63 0.35 -0.39 1.58 0.86 0.00 0.00 177.93 180.96 2i7k n HIS 115 N -3.23 -2.38 0.43 2.45 -0.00 -1.26 -5.29 115.22 105.94 2i7k n HIS 115 Ca 0.02 0.98 0.05 0.00 0.46 0.00 0.00 57.72 59.23 2i7k n HIS 115 Cb 0.64 -3.21 0.04 0.00 -0.12 0.00 0.00 29.99 27.34 2i7k n HIS 115 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38