#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 -2.89 -4.62 0.03 2.13 -1.26 -5.06 120.64 108.98 2i7k n GLU 1 Ca 0.00 2.42 -0.23 0.00 0.66 0.00 0.00 57.16 60.01 2i7k n GLU 1 Cb 0.00 -5.26 -0.16 0.00 0.27 0.00 0.00 31.44 26.29 2i7k n GLU 1 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2i7k s GLU 2 N -1.93 1.30 -1.74 5.31 0.41 -1.26 -4.73 118.70 116.06 2i7k s GLU 2 Ca 0.09 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 2i7k s GLU 2 Cb -0.03 -1.19 0.00 0.00 -1.78 0.00 0.00 34.13 31.14 2i7k s GLU 2 CO 0.73 0.21 0.00 0.28 -0.49 0.00 0.00 175.26 176.00 2i7k n VAL 3 N 3.08 -0.03 -0.06 2.63 0.31 -1.26 -4.85 118.33 118.15 2i7k n VAL 3 Ca -0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.13 2i7k n VAL 3 Cb 0.54 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.52 0.82 0.03 5.55 -0.58 -1.26 -4.43 120.64 118.25 2i7k n GLU 4 Ca -0.17 -0.07 -0.08 0.00 -0.42 0.00 0.00 57.16 56.42 2i7k n GLU 4 Cb 0.55 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.81 2i7k n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 2i7k h GLN 5 N 0.00 0.02 -0.24 3.49 3.07 -1.91 -3.37 115.11 116.17 2i7k h GLN 5 Ca -0.33 -0.03 0.06 0.00 0.09 0.00 0.00 58.65 58.43 2i7k h GLN 5 Cb 1.73 0.01 -0.06 0.00 0.08 0.00 0.00 27.48 29.24 2i7k h GLN 5 CO 0.02 0.83 -0.17 1.15 0.09 0.00 0.00 178.83 180.75 2i7k h THR 6 N 0.01 0.53 -0.90 1.86 2.02 -1.98 -1.69 112.91 112.75 2i7k h THR 6 Ca -0.12 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.28 2i7k h THR 6 Cb 1.87 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2i7k h THR 6 CO 0.12 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 175.96 2i7k h PRO 7 N -0.16 0.27 -0.84 6.66 0.11 -1.80 -0.15 132.00 136.10 2i7k h PRO 7 Ca 0.14 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.31 2i7k h PRO 7 Cb 0.36 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.35 2i7k h PRO 7 CO -0.34 0.18 0.54 1.25 -0.21 0.00 0.00 178.00 179.42 2i7k h LEU 8 N 0.28 0.77 -0.57 2.35 7.12 -1.49 -1.64 115.31 122.13 2i7k h LEU 8 Ca 0.46 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.44 2i7k h LEU 8 Cb 1.34 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.30 2i7k h LEU 8 CO -0.13 0.48 0.18 -0.61 -0.13 0.00 0.00 178.44 178.22 2i7k h GLN 9 N 0.86 0.88 -0.29 1.25 4.15 -1.06 -0.02 115.11 120.87 2i7k h GLN 9 Ca 0.37 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2i7k h GLN 9 Cb 0.32 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2i7k h GLN 9 CO -0.14 0.80 0.16 0.93 -1.93 0.00 0.00 178.83 178.64 2i7k h GLU 10 N 0.79 0.41 -0.25 1.69 5.08 -1.36 0.11 114.58 121.05 2i7k h GLU 10 Ca 0.18 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2i7k h GLU 10 Cb 0.28 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2i7k h GLU 10 CO -0.01 0.36 0.06 0.00 -1.00 0.00 0.00 179.01 178.42 2i7k h ALA 11 N 1.03 0.33 -0.46 3.43 0.00 -1.27 -1.25 119.26 121.08 2i7k h ALA 11 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2i7k h ALA 11 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2i7k h ALA 11 CO -0.02 -0.01 0.28 1.25 0.00 0.00 0.00 179.25 180.74 2i7k h LEU 12 N 0.23 0.55 -0.79 0.00 6.46 -0.86 -0.80 115.31 120.10 2i7k h LEU 12 Ca 0.08 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2i7k h LEU 12 Cb 0.28 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2i7k h LEU 12 CO 0.00 0.44 0.32 0.78 -0.62 0.00 0.00 178.44 179.36 2i7k h ASN 13 N 0.61 1.08 -0.65 1.25 2.35 -0.71 -2.33 115.58 117.17 2i7k h ASN 13 Ca 0.16 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2i7k h ASN 13 Cb -0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 2i7k h ASN 13 CO -0.03 0.96 0.11 1.56 -1.65 0.00 0.00 177.43 178.37 2i7k h GLN 14 N 1.14 1.09 -0.38 0.81 7.50 -0.89 -2.22 115.11 122.16 2i7k h GLN 14 Ca 0.26 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2i7k h GLN 14 Cb 0.21 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 2i7k h GLN 14 CO -0.02 1.00 0.21 -0.07 -1.50 0.00 0.00 178.83 178.45 2i7k h LEU 15 N 1.02 0.48 -0.99 1.46 3.38 -0.82 -1.82 115.31 118.02 2i7k h LEU 15 Ca 0.20 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2i7k h LEU 15 Cb 0.44 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2i7k h LEU 15 CO 0.01 0.42 0.32 0.24 0.09 0.00 0.00 178.44 179.53 2i7k h MET 16 N 0.49 1.04 -0.36 1.13 2.86 -1.30 0.17 114.93 118.97 2i7k h MET 16 Ca 0.14 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2i7k h MET 16 Cb 0.05 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2i7k h MET 16 CO -0.02 0.82 0.18 0.00 1.06 0.00 0.00 176.91 178.95 2i7k h ARG 17 N 1.03 0.51 -0.38 1.72 3.08 -1.04 0.20 114.38 119.50 2i7k h ARG 17 Ca 0.25 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 2i7k h ARG 17 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2i7k h ARG 17 CO -0.03 0.44 -0.27 1.96 -1.07 0.00 0.00 179.97 181.01 2i7k h GLN 18 N 0.45 0.85 -0.42 0.04 4.20 -1.03 -0.99 115.11 118.20 2i7k h GLN 18 Ca 0.12 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2i7k h GLN 18 Cb 0.09 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2i7k h GLN 18 CO -0.02 1.05 0.23 1.25 -0.67 0.00 0.00 178.83 180.66 2i7k h LEU 19 N 0.65 0.53 -0.71 1.46 6.46 -0.45 -2.72 115.31 120.52 2i7k h LEU 19 Ca 0.07 -0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.62 2i7k h LEU 19 Cb 0.84 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2i7k h LEU 19 CO 0.07 0.47 -0.28 -0.61 -0.62 0.00 0.00 178.44 177.48 2i7k h GLN 20 N 0.54 0.68 0.00 1.25 -0.00 -0.58 -2.73 115.11 114.28 2i7k h GLN 20 Ca 0.15 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 2i7k h GLN 20 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.52 2i7k h GLN 20 CO -0.02 0.89 0.00 -0.09 0.00 0.00 0.00 178.83 179.60 2i7k h ARG 21 N 0.59 0.00 0.00 1.69 2.43 -0.88 -3.32 114.38 114.89 2i7k h ARG 21 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2i7k h ARG 21 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 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 -2.54 0.00 0.00 0.20 4.76 -1.03 -4.96 118.16 114.59 2i7k n LYS 22 Ca -0.01 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 2i7k n LYS 22 Cb 0.12 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 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 -1.74 0.00 0.31 4.39 2.03 -1.25 -4.96 116.55 115.32 2i7k n ASP 23 Ca 0.00 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.49 2i7k n ASP 23 Cb 0.00 0.00 0.98 0.00 -0.72 0.00 0.00 41.12 41.38 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 0.00 0.00 -0.67 0.11 -1.89 -2.07 132.00 127.47 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 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2i7k h PRO 24 CO 0.00 0.03 -0.07 1.03 -0.21 0.00 0.00 178.00 178.77 2i7k h SER 25 N 0.00 0.00 -0.64 -2.05 0.87 -1.84 -2.92 113.55 106.97 2i7k h SER 25 Ca -0.00 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 2i7k h SER 25 Cb 0.15 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2i7k h SER 25 CO 0.00 0.07 0.46 0.00 -0.53 0.00 0.00 176.83 176.84 2i7k h ALA 26 N 1.93 2.60 0.00 6.23 0.00 -1.59 0.77 119.26 129.19 2i7k h ALA 26 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2i7k h ALA 26 Cb 0.41 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2i7k h ALA 26 CO 0.01 -0.78 -0.68 0.74 0.00 0.00 0.00 179.25 178.54 2i7k h PHE 27 N 0.01 0.00 -0.27 0.00 -1.00 -1.74 -3.29 116.94 110.64 2i7k h PHE 27 Ca 0.30 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.88 2i7k h PHE 27 Cb 1.21 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 40.57 2i7k h PHE 27 CO -0.00 0.68 -0.68 1.19 -1.61 0.00 0.00 178.31 177.89 2i7k n PHE 28 N -3.40 0.96 0.89 -0.55 3.72 0.58 -4.69 117.46 114.98 2i7k n PHE 28 Ca 0.00 -1.69 0.12 0.00 -0.05 0.00 0.00 57.45 55.83 2i7k n PHE 28 Cb 0.76 -0.27 0.15 0.00 -0.94 0.00 0.00 39.48 39.18 2i7k n PHE 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2i7k n SER 29 N -0.83 0.61 -4.19 4.37 3.41 0.24 -2.58 113.62 114.65 2i7k n SER 29 Ca 0.26 -0.33 -0.13 0.00 -0.26 0.00 0.00 58.87 58.41 2i7k n SER 29 Cb 0.82 0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 65.12 2i7k n SER 29 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2i7k s PHE 30 N -3.05 1.03 -0.29 7.33 0.40 -1.26 -3.83 117.98 118.31 2i7k s PHE 30 Ca 0.09 -0.80 -0.28 0.00 -0.60 0.00 0.00 56.93 55.34 2i7k s PHE 30 Cb 0.16 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 2i7k s PHE 30 CO 0.74 -0.05 2.09 -1.25 0.70 0.00 0.00 175.22 177.46 2i7k s PRO 31 N -3.51 3.08 0.48 0.24 0.04 -1.26 -4.86 135.00 129.21 2i7k s PRO 31 Ca 0.11 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 2i7k s PRO 31 Cb 0.02 -4.34 -0.09 0.00 0.04 0.00 0.00 34.50 30.13 2i7k s PRO 31 CO -0.02 -2.16 0.92 1.33 0.04 0.00 0.00 177.00 177.11 2i7k n VAL 32 N 7.66 2.66 -3.56 -0.36 0.24 -1.26 -4.99 118.33 118.72 2i7k n VAL 32 Ca 0.28 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2i7k n VAL 32 Cb 0.47 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 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 -0.92 0.00 1.45 3.34 -1.04 -1.26 -4.89 114.28 110.96 2i7k n THR 33 Ca 0.11 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.24 2i7k n THR 33 Cb 0.42 0.00 0.71 0.00 -1.82 0.00 0.00 70.33 69.64 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 -1.48 0.00 0.00 8.00 2.03 -1.26 -1.65 116.55 122.19 2i7k n ASP 34 Ca 0.00 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.74 2i7k n ASP 34 Cb 0.00 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2i7k n ASP 34 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2i7k n PHE 35 N -1.09 0.00 0.03 -0.67 3.01 -1.26 -4.74 117.46 112.75 2i7k n PHE 35 Ca 0.17 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.58 2i7k n PHE 35 Cb 0.12 0.02 0.17 0.00 -0.01 0.00 0.00 39.48 39.78 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 0.00 1.29 -2.80 4.37 5.03 -1.95 -3.44 117.51 120.02 2i7k h ILE 36 Ca 0.00 -1.47 -0.60 0.00 -0.12 0.00 0.00 64.86 62.67 2i7k h ILE 36 Cb 0.94 1.53 -0.11 0.00 -3.03 0.00 0.00 36.82 36.15 2i7k h ILE 36 CO 0.00 0.46 -0.66 0.00 -0.68 0.00 0.00 178.15 177.26 2i7k s ALA 37 N -4.29 3.17 -2.00 1.87 0.00 -0.66 -4.81 121.76 115.04 2i7k s ALA 37 Ca -0.06 -1.42 0.20 0.00 0.00 0.00 0.00 51.96 50.67 2i7k s ALA 37 Cb 0.13 -0.94 1.16 0.00 0.00 0.00 0.00 23.12 23.48 2i7k s ALA 37 CO 0.80 0.45 1.64 -2.30 0.00 0.00 0.00 175.76 176.35 2i7k n PRO 38 N -0.21 0.83 0.00 0.00 -0.02 -1.26 -4.54 135.00 129.80 2i7k n PRO 38 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2i7k n PRO 38 Cb 0.56 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.58 0.21 0.26 -1.23 0.00 -1.26 -5.04 105.19 98.71 2i7k n GLY 39 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.69 0.00 1.61 -1.99 -1.81 -0.20 116.97 115.27 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 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 2i7k h TYR 40 CO 0.00 0.32 -0.03 0.77 -0.00 0.00 0.00 178.16 179.22 2i7k h SER 41 N 0.69 0.00 -0.01 3.88 0.02 -1.87 1.04 113.55 117.30 2i7k h SER 41 Ca 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2i7k h SER 41 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2i7k h SER 41 CO -0.19 0.03 -0.08 -0.03 -1.14 0.00 0.00 176.83 175.41 2i7k h MET 42 N 0.00 0.06 0.00 3.45 -1.53 -1.45 -3.41 114.93 112.06 2i7k h MET 42 Ca -0.00 -0.06 -0.33 0.00 -3.44 0.00 0.00 59.70 55.87 2i7k h MET 42 Cb 0.07 0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.09 2i7k h MET 42 CO 0.00 0.80 -2.18 1.51 0.14 0.00 0.00 176.91 177.18 2i7k n ILE 43 N -4.66 1.17 -2.97 1.77 3.06 -1.06 -4.81 119.36 111.87 2i7k n ILE 43 Ca -0.09 -0.38 -0.44 0.00 -2.50 0.00 0.00 62.75 59.34 2i7k n ILE 43 Cb 0.41 -1.47 -0.02 0.00 0.54 0.00 0.00 39.64 39.10 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 -2.40 4.91 0.23 9.51 -1.09 0.36 -4.87 121.20 127.84 2i7k s ILE 44 Ca -0.29 -1.98 -0.08 0.00 -2.23 0.00 0.00 60.65 56.07 2i7k s ILE 44 Cb 0.09 -4.79 0.20 0.00 -1.58 0.00 0.00 42.46 36.38 2i7k s ILE 44 CO 0.43 -1.50 1.87 0.11 -1.23 0.00 0.00 174.94 174.62 2i7k h LYS 45 N 8.24 1.19 -3.13 2.79 1.57 -1.80 -3.34 116.57 122.08 2i7k h LYS 45 Ca 0.20 -0.11 -0.64 0.00 -1.87 0.00 0.00 60.65 58.23 2i7k h LYS 45 Cb 0.98 -0.25 -0.41 0.00 0.08 0.00 0.00 32.23 32.63 2i7k h LYS 45 CO 1.12 0.84 -0.48 -3.38 -0.57 0.00 0.00 179.45 176.97 2i7k s HIS 46 N -5.95 3.63 -1.05 -1.35 -3.43 -1.26 -4.98 115.29 100.90 2i7k s HIS 46 Ca -0.13 -3.29 -0.13 0.00 -0.80 0.00 0.00 55.06 50.72 2i7k s HIS 46 Cb 0.16 -2.81 0.21 0.00 -1.43 0.00 0.00 32.58 28.72 2i7k s HIS 46 CO 0.81 -0.58 1.14 -1.25 -2.00 0.00 0.00 174.74 172.86 2i7k s PRO 47 N -1.42 3.96 -1.17 -0.38 0.04 -1.26 -4.63 135.00 130.14 2i7k s PRO 47 Ca 0.25 -2.66 -0.23 0.00 0.04 0.00 0.00 61.00 58.40 2i7k s PRO 47 Cb -0.05 -4.73 -0.08 0.00 0.04 0.00 0.00 34.50 29.68 2i7k s PRO 47 CO -0.16 -1.48 1.93 -1.64 0.04 0.00 0.00 177.00 175.69 2i7k s MET 48 N 0.43 2.55 1.23 4.56 -1.94 -1.26 -4.81 119.30 120.06 2i7k s MET 48 Ca 0.32 -1.14 -0.16 0.00 -1.71 0.00 0.00 55.69 53.00 2i7k s MET 48 Cb -0.07 -5.24 0.30 0.00 2.01 0.00 0.00 34.83 31.83 2i7k s MET 48 CO -0.06 -3.88 1.01 -0.51 -0.01 0.00 0.00 175.02 171.57 2i7k s ASP 49 N 6.52 0.53 0.39 3.03 1.01 -1.26 -4.41 116.67 122.47 2i7k s ASP 49 Ca 0.68 1.18 0.08 0.00 0.71 0.00 0.00 52.55 55.20 2i7k s ASP 49 Cb -0.01 -1.80 0.78 0.00 1.01 0.00 0.00 42.92 42.91 2i7k s ASP 49 CO 0.12 -4.43 1.96 0.15 0.21 0.00 0.00 175.17 173.18 2i7k h PHE 50 N -2.78 0.40 -0.13 4.23 3.04 -1.77 -1.88 116.94 118.05 2i7k h PHE 50 Ca -0.55 -0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.23 2i7k h PHE 50 Cb 1.33 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 39.73 2i7k h PHE 50 CO -0.93 0.38 -0.51 0.66 -2.02 0.00 0.00 178.31 175.89 2i7k h SER 51 N 0.39 0.68 0.11 0.41 4.64 -1.80 -1.17 113.55 116.81 2i7k h SER 51 Ca 0.09 -0.62 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 2i7k h SER 51 Cb 0.21 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2i7k h SER 51 CO 0.00 1.18 -0.05 0.74 -0.87 0.00 0.00 176.83 177.83 2i7k h THR 52 N 0.22 0.96 -0.67 2.95 2.02 -1.84 -1.35 112.91 115.19 2i7k h THR 52 Ca -0.03 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2i7k h THR 52 Cb 1.15 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 2i7k h THR 52 CO 0.11 0.06 0.24 0.00 0.37 0.00 0.00 175.52 176.30 2i7k h MET 53 N -0.26 1.02 -0.68 6.66 -0.00 -1.43 -2.57 114.93 117.66 2i7k h MET 53 Ca -0.01 -0.20 0.02 0.00 -0.00 0.00 0.00 59.70 59.51 2i7k h MET 53 Cb 0.21 -0.16 -0.04 0.00 -0.00 0.00 0.00 31.60 31.61 2i7k h MET 53 CO 0.02 0.87 0.43 0.87 -0.00 0.00 0.00 176.91 179.11 2i7k h LYS 54 N 0.96 0.83 -0.62 -0.10 1.79 -1.06 0.24 116.57 118.60 2i7k h LYS 54 Ca 0.22 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 2i7k h LYS 54 Cb 0.25 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 2i7k h LYS 54 CO -0.01 0.55 0.27 1.49 -1.08 0.00 0.00 179.45 180.66 2i7k h GLU 55 N 0.85 0.90 -0.37 3.15 4.57 -1.06 -2.22 114.58 120.40 2i7k h GLU 55 Ca 0.27 -0.13 -0.13 0.00 -1.18 0.00 0.00 59.36 58.18 2i7k h GLU 55 Cb -0.01 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 2i7k h GLU 55 CO -0.10 0.72 -0.31 0.87 -1.18 0.00 0.00 179.01 179.02 2i7k h LYS 56 N 0.89 0.81 -0.98 1.92 6.56 -0.91 -3.05 116.57 121.81 2i7k h LYS 56 Ca 0.21 -0.38 0.03 0.00 -1.06 0.00 0.00 60.65 59.46 2i7k h LYS 56 Cb 0.14 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.74 2i7k h LYS 56 CO -0.02 1.01 0.64 0.82 -2.06 0.00 0.00 179.45 179.84 2i7k h ILE 57 N 0.69 1.20 -0.02 1.86 2.04 -0.39 -0.37 117.51 122.52 2i7k h ILE 57 Ca 0.08 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2i7k h ILE 57 Cb 0.85 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2i7k h ILE 57 CO 0.07 0.23 0.03 0.50 0.00 0.00 0.00 178.15 178.99 2i7k h LYS 58 N 1.27 0.00 -0.61 2.37 3.11 -1.35 -0.21 116.57 121.15 2i7k h LYS 58 Ca 0.38 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 58.15 2i7k h LYS 58 Cb -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.13 2i7k h LYS 58 CO -0.11 0.00 0.09 0.09 -2.81 0.00 0.00 179.45 176.71 2i7k n ASN 59 N -3.61 5.33 -1.78 4.20 3.02 -0.40 -4.91 115.26 117.11 2i7k n ASN 59 Ca -0.02 -3.04 -0.20 0.00 -0.03 0.00 0.00 54.58 51.28 2i7k n ASN 59 Cb 0.11 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 2i7k n ASN 59 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2i7k n ASN 60 N 0.28 -5.55 0.08 6.41 2.85 -0.09 -4.86 115.26 114.39 2i7k n ASN 60 Ca 0.32 0.35 -0.11 0.00 -0.11 0.00 0.00 54.58 55.02 2i7k n ASN 60 Cb 1.24 -4.75 -0.06 0.00 1.24 0.00 0.00 39.78 37.45 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2i7k h ASP 61 N 0.00 0.33 -3.53 1.20 3.58 -1.27 -3.42 116.42 113.31 2i7k h ASP 61 Ca -0.44 -0.30 -0.62 0.00 0.42 0.00 0.00 57.03 56.10 2i7k h ASP 61 Cb 1.33 -0.10 -0.39 0.00 1.72 0.00 0.00 39.33 41.89 2i7k h ASP 61 CO 0.60 1.14 -0.76 -0.31 -2.88 0.00 0.00 179.24 177.02 2i7k s TYR 62 N -3.05 2.60 0.00 0.28 2.02 -1.25 -4.90 117.35 113.05 2i7k s TYR 62 Ca -0.03 -2.10 0.01 0.00 -0.37 0.00 0.00 57.07 54.58 2i7k s TYR 62 Cb 0.09 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 2i7k s TYR 62 CO 0.85 -0.85 0.92 1.04 -1.57 0.00 0.00 175.55 175.94 2i7k n GLN 63 N 4.60 0.00 -4.69 -0.62 1.13 -1.26 -4.65 117.38 111.89 2i7k n GLN 63 Ca -0.05 -0.87 -0.24 0.00 -1.94 0.00 0.00 57.00 53.89 2i7k n GLN 63 Cb 0.43 -0.36 -0.16 0.00 0.11 0.00 0.00 30.24 30.26 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2i7k s SER 64 N -0.87 1.87 0.31 1.08 0.01 -1.26 -5.03 113.70 109.81 2i7k s SER 64 Ca 0.02 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.03 2i7k s SER 64 Cb 0.02 -0.57 0.70 0.00 0.21 0.00 0.00 66.02 66.39 2i7k s SER 64 CO -0.01 0.11 1.83 0.16 0.41 0.00 0.00 173.24 175.74 2i7k h ILE 65 N 5.39 0.83 -0.32 1.44 -0.00 -1.98 0.42 117.51 123.29 2i7k h ILE 65 Ca -0.32 -0.28 -0.13 0.00 -0.00 0.00 0.00 64.86 64.13 2i7k h ILE 65 Cb 1.18 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.82 37.92 2i7k h ILE 65 CO 0.48 0.15 -0.30 -0.08 -0.00 0.00 0.00 178.15 178.40 2i7k h GLU 66 N 0.83 0.76 -0.13 0.16 4.81 -1.99 -2.21 114.58 116.81 2i7k h GLU 66 Ca 0.51 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2i7k h GLU 66 Cb 0.70 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2i7k h GLU 66 CO -0.28 1.02 -0.03 0.93 -0.73 0.00 0.00 179.01 179.92 2i7k h GLU 67 N 0.53 0.25 -0.92 1.92 4.39 -1.60 -1.25 114.58 117.89 2i7k h GLU 67 Ca 0.05 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.71 2i7k h GLU 67 Cb 0.87 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.45 2i7k h GLU 67 CO 0.07 0.54 0.60 -0.07 -1.16 0.00 0.00 179.01 179.00 2i7k h LEU 68 N -0.06 0.97 -0.47 1.33 -0.00 -0.28 -1.89 115.31 114.91 2i7k h LEU 68 Ca 0.03 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.75 2i7k h LEU 68 Cb 0.45 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 2i7k h LEU 68 CO 0.01 0.65 -0.48 0.50 -0.00 0.00 0.00 178.44 179.12 2i7k h LYS 69 N 1.11 0.73 -0.45 1.13 3.64 -1.30 -2.09 116.57 119.34 2i7k h LYS 69 Ca 0.38 -0.42 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2i7k h LYS 69 Cb 0.10 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2i7k h LYS 69 CO -0.13 1.05 0.24 0.22 -2.27 0.00 0.00 179.45 178.56 2i7k h ASP 70 N 0.58 0.37 -0.03 4.20 3.58 -0.43 0.33 116.42 125.03 2i7k h ASP 70 Ca 0.03 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2i7k h ASP 70 Cb 1.04 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2i7k h ASP 70 CO 0.10 0.27 -0.07 0.78 -2.88 0.00 0.00 179.24 177.44 2i7k h ASN 71 N 0.49 0.11 -0.79 2.28 4.21 -1.47 -1.77 115.58 118.65 2i7k h ASN 71 Ca 0.19 -0.61 0.02 0.00 1.21 0.00 0.00 56.30 57.11 2i7k h ASN 71 Cb 0.06 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.19 2i7k h ASN 71 CO -0.11 0.69 0.51 0.15 -1.29 0.00 0.00 177.43 177.38 2i7k h PHE 72 N -0.47 0.96 -0.36 1.19 3.57 -1.30 -2.21 116.94 118.32 2i7k h PHE 72 Ca -0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2i7k h PHE 72 Cb 0.68 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2i7k h PHE 72 CO 0.13 0.57 -0.22 0.87 -2.23 0.00 0.00 178.31 177.44 2i7k h LYS 73 N 1.01 0.69 -0.32 1.11 1.57 -0.40 -1.95 116.57 118.29 2i7k h LYS 73 Ca 0.30 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2i7k h LYS 73 Cb -0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2i7k h LYS 73 CO -0.09 0.86 0.20 -0.07 -0.57 0.00 0.00 179.45 179.78 2i7k h LEU 74 N 0.61 0.38 -0.21 2.94 3.38 -0.72 0.24 115.31 121.93 2i7k h LEU 74 Ca 0.09 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2i7k h LEU 74 Cb 0.70 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2i7k h LEU 74 CO 0.05 0.31 -0.06 -0.03 0.09 0.00 0.00 178.44 178.80 2i7k h MET 75 N 0.42 0.41 -0.06 1.13 4.05 -1.40 0.16 114.93 119.64 2i7k h MET 75 Ca 0.12 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2i7k h MET 75 Cb -0.01 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2i7k h MET 75 CO -0.02 0.67 0.03 0.00 0.23 0.00 0.00 176.91 177.82 2i7k h THR 77 N 0.07 1.28 -0.15 0.00 2.02 -0.55 -1.68 112.91 113.90 2i7k h THR 77 Ca 0.02 -1.40 -0.14 0.00 0.77 0.00 0.00 66.41 65.66 2i7k h THR 77 Cb -0.00 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2i7k h THR 77 CO -0.01 0.46 -0.50 0.78 0.37 0.00 0.00 175.52 176.63 2i7k h ASN 78 N 0.65 0.43 -0.23 4.18 2.35 -0.41 -0.59 115.58 121.96 2i7k h ASN 78 Ca 0.08 -0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.44 2i7k h ASN 78 Cb 0.79 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 2i7k h ASN 78 CO 0.07 0.86 -0.52 0.00 -1.65 0.00 0.00 177.43 176.18 2i7k h ALA 79 N 1.16 0.54 0.01 -0.83 0.00 0.40 -2.56 119.26 117.98 2i7k h ALA 79 Ca 0.01 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 2i7k h ALA 79 Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2i7k h ALA 79 CO 0.09 0.68 -0.90 0.00 0.00 0.00 0.00 179.25 179.12 2i7k h MET 80 N 0.63 0.09 -0.06 0.00 -0.00 -1.23 -2.57 114.93 111.78 2i7k h MET 80 Ca 0.02 -0.11 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 2i7k h MET 80 Cb 1.11 0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 32.75 2i7k h MET 80 CO 0.11 0.92 -0.09 0.97 -0.00 0.00 0.00 176.91 178.82 2i7k h ILE 81 N 0.04 1.40 0.00 -0.10 6.09 -1.10 -3.13 117.51 120.71 2i7k h ILE 81 Ca -0.03 -1.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 2i7k h ILE 81 Cb 1.55 2.15 0.00 0.00 0.47 0.00 0.00 36.82 40.99 2i7k h ILE 81 CO 0.13 0.37 0.00 0.22 -3.07 0.00 0.00 178.15 175.80 2i7k h TYR 82 N -0.30 0.00 -1.00 2.19 3.20 -1.56 -3.45 116.97 116.05 2i7k h TYR 82 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2i7k h TYR 82 Cb 0.64 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2i7k h TYR 82 CO 0.11 0.00 0.00 -1.71 -1.64 0.00 0.00 178.16 174.92 2i7k n ASN 83 N -2.71 0.00 0.00 -2.11 2.85 -0.97 -5.08 115.26 107.24 2i7k n ASN 83 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2i7k n ASN 83 Cb 0.35 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.37 2i7k n ASN 83 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2i7k n LYS 84 N 0.00 -0.01 -1.23 1.20 5.02 -1.25 -4.89 118.16 117.00 2i7k n LYS 84 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2i7k n LYS 84 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 2i7k n LYS 84 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2i7k n PRO 85 N -0.17 1.00 -0.05 1.97 -0.04 -1.26 -3.93 135.00 132.53 2i7k n PRO 85 Ca 0.00 -1.75 -0.03 0.00 -0.04 0.00 0.00 63.50 61.67 2i7k n PRO 85 Cb 0.00 -3.10 -0.01 0.00 -0.04 0.00 0.00 33.50 30.35 2i7k n PRO 85 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2i7k n GLU 86 N 7.65 0.29 0.00 0.54 2.13 -1.26 -5.02 120.64 124.97 2i7k n GLU 86 Ca 0.47 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2i7k n GLU 86 Cb 0.43 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 -3.77 0.00 -0.35 6.31 -2.24 -1.26 -5.01 114.28 107.96 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 -0.09 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 -0.38 -0.57 0.00 0.00 175.07 174.12 2i7k n ILE 88 N -0.51 0.11 -0.04 2.28 5.41 -1.26 -4.73 119.36 120.63 2i7k n ILE 88 Ca 0.00 -0.38 -0.13 0.00 1.00 0.00 0.00 62.75 63.24 2i7k n ILE 88 Cb 0.00 1.23 -0.08 0.00 -0.71 0.00 0.00 39.64 40.08 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 0.28 -0.14 1.39 0.05 -1.95 -0.68 116.97 115.92 2i7k h TYR 89 Ca 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2i7k h TYR 89 Cb 0.26 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2i7k h TYR 89 CO 0.00 0.67 0.02 -0.92 -1.05 0.00 0.00 178.16 176.88 2i7k h TYR 90 N -0.19 0.26 -0.75 4.88 3.20 -1.87 -2.51 116.97 119.99 2i7k h TYR 90 Ca 0.01 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2i7k h TYR 90 Cb 0.63 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2i7k h TYR 90 CO 0.09 0.43 0.39 0.87 -1.64 0.00 0.00 178.16 178.30 2i7k h LYS 91 N 0.01 1.06 -0.30 1.82 1.79 -1.85 -1.34 116.57 117.76 2i7k h LYS 91 Ca 0.04 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2i7k h LYS 91 Cb 0.32 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2i7k h LYS 91 CO 0.00 0.80 0.18 0.00 -1.08 0.00 0.00 179.45 179.35 2i7k h ALA 92 N 1.36 0.38 -0.41 3.86 0.00 -1.01 0.19 119.26 123.64 2i7k h ALA 92 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2i7k h ALA 92 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2i7k h ALA 92 CO -0.04 -0.12 0.09 0.00 0.00 0.00 0.00 179.25 179.18 2i7k h ALA 93 N 1.08 0.54 -0.28 0.00 0.00 -1.18 -0.81 119.26 118.60 2i7k h ALA 93 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2i7k h ALA 93 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2i7k h ALA 93 CO -0.02 0.23 0.12 -0.22 0.00 0.00 0.00 179.25 179.35 2i7k h LYS 94 N 0.52 0.42 -0.41 0.00 3.64 -1.05 -0.71 116.57 118.98 2i7k h LYS 94 Ca 0.13 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2i7k h LYS 94 Cb 0.33 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2i7k h LYS 94 CO 0.00 0.43 0.20 -0.22 -2.27 0.00 0.00 179.45 177.60 2i7k h LYS 95 N 0.31 0.58 -0.60 1.90 1.63 -0.55 -2.50 116.57 117.34 2i7k h LYS 95 Ca 0.09 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2i7k h LYS 95 Cb 0.17 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2i7k h LYS 95 CO -0.01 0.49 0.22 -0.07 -3.45 0.00 0.00 179.45 176.63 2i7k h LEU 96 N 0.52 0.80 -0.45 5.20 -0.00 -1.04 -2.13 115.31 118.21 2i7k h LEU 96 Ca 0.14 -0.11 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2i7k h LEU 96 Cb 0.10 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2i7k h LEU 96 CO -0.02 0.74 0.29 0.25 -0.00 0.00 0.00 178.44 179.69 2i7k h LEU 97 N 0.86 0.48 -0.66 1.67 6.46 -0.79 0.15 115.31 123.47 2i7k h LEU 97 Ca 0.20 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 2i7k h LEU 97 Cb 0.20 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2i7k h LEU 97 CO -0.02 0.34 0.27 0.45 -0.62 0.00 0.00 178.44 178.87 2i7k h HIS 98 N 0.58 1.00 -0.19 1.25 3.86 -1.13 -2.13 115.15 118.39 2i7k h HIS 98 Ca 0.17 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2i7k h HIS 98 Cb -0.03 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 2i7k h HIS 98 CO -0.06 0.78 0.05 0.77 0.86 0.00 0.00 177.93 180.33 2i7k h SER 99 N 0.93 0.29 -0.49 2.45 0.02 -0.95 -2.33 113.55 113.47 2i7k h SER 99 Ca 0.22 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2i7k h SER 99 Cb 0.19 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2i7k h SER 99 CO -0.02 0.45 0.33 1.23 -1.14 0.00 0.00 176.83 177.67 2i7k h GLY 100 N 0.12 0.55 0.68 -3.77 0.00 -0.57 -1.09 103.07 99.00 2i7k h GLY 100 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2i7k h GLY 100 CO 0.00 0.15 -0.12 -0.33 0.00 0.00 0.00 176.54 176.23 2i7k h MET 101 N 0.46 0.27 -0.22 4.80 2.86 -1.18 -1.49 114.93 120.44 2i7k h MET 101 Ca 0.21 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2i7k h MET 101 Cb 0.24 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2i7k h MET 101 CO -0.05 0.70 0.13 -0.22 1.06 0.00 0.00 176.91 178.52 2i7k h LYS 102 N -0.14 0.30 -0.63 1.72 3.11 -0.90 -0.87 116.57 119.16 2i7k h LYS 102 Ca 0.02 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 2i7k h LYS 102 Cb 0.66 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.80 2i7k h LYS 102 CO 0.03 0.25 0.07 -0.84 -2.81 0.00 0.00 179.45 176.16 2i7k h ILE 103 N 0.26 1.26 -0.07 2.00 3.07 -1.28 -2.56 117.51 120.19 2i7k h ILE 103 Ca 0.08 -1.06 -0.06 0.00 1.55 0.00 0.00 64.86 65.37 2i7k h ILE 103 Cb 0.04 0.70 -0.01 0.00 -0.27 0.00 0.00 36.82 37.27 2i7k h ILE 103 CO -0.01 0.39 -0.24 -0.07 -1.05 0.00 0.00 178.15 177.16 2i7k h LEU 104 N 0.98 0.11 -1.12 0.16 3.38 -1.06 -2.34 115.31 115.43 2i7k h LEU 104 Ca 0.19 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2i7k h LEU 104 Cb 0.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2i7k h LEU 104 CO 0.02 0.36 -0.39 -1.28 0.09 0.00 0.00 178.44 177.24 2i7k h SER 105 N 0.10 0.00 -0.51 -0.43 0.87 -0.75 -2.78 113.55 110.05 2i7k h SER 105 Ca 0.02 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 2i7k h SER 105 Cb 0.49 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 2i7k h SER 105 CO 0.03 0.39 0.15 0.00 -0.53 0.00 0.00 176.83 176.88 2i7k n GLN 106 N -3.78 3.24 0.07 2.24 6.02 -0.88 -4.29 117.38 120.00 2i7k n GLN 106 Ca -0.01 -2.26 -0.09 0.00 -0.01 0.00 0.00 57.00 54.63 2i7k n GLN 106 Cb 0.47 -2.00 0.02 0.00 1.02 0.00 0.00 30.24 29.75 2i7k n GLN 106 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2i7k h GLU 107 N 2.23 0.30 -2.54 -1.09 4.81 -1.48 -3.39 114.58 113.43 2i7k h GLU 107 Ca 0.15 -0.27 -0.60 0.00 -0.13 0.00 0.00 59.36 58.50 2i7k h GLU 107 Cb 1.83 0.07 -0.39 0.00 0.63 0.00 0.00 28.75 30.88 2i7k h GLU 107 CO 0.50 0.94 -0.88 0.50 -0.73 0.00 0.00 179.01 179.34 2i7k s ARG 108 N -3.45 1.25 -0.31 1.92 3.52 -1.26 -4.95 118.95 115.66 2i7k s ARG 108 Ca -0.04 -2.37 -0.11 0.00 -0.13 0.00 0.00 55.73 53.08 2i7k s ARG 108 Cb 0.10 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.60 2i7k s ARG 108 CO 0.83 -1.36 0.19 -0.48 -0.81 0.00 0.00 175.30 173.67 2i7k s LEU 109 N -0.25 4.18 -0.08 -0.88 0.05 -1.26 -4.91 118.68 115.54 2i7k s LEU 109 Ca 0.31 -0.34 0.17 0.00 0.05 0.00 0.00 54.13 54.32 2i7k s LEU 109 Cb 0.01 -2.07 0.33 0.00 -2.05 0.00 0.00 46.19 42.40 2i7k s LEU 109 CO -0.18 -0.16 1.15 -0.62 -0.55 0.00 0.00 176.35 175.98 2i7k n GLU 110 N 5.04 0.42 -4.41 1.48 1.02 -1.26 -5.09 120.64 117.85 2i7k n GLU 110 Ca -0.14 -1.91 -0.32 0.00 -0.02 0.00 0.00 57.16 54.78 2i7k n GLU 110 Cb 0.50 -0.09 -0.16 0.00 -0.02 0.00 0.00 31.44 31.67 2i7k n GLU 110 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2i7k s HIS 111 N -0.62 2.61 0.25 -0.32 2.46 -1.26 -5.11 115.29 113.29 2i7k s HIS 111 Ca 0.21 -1.41 -0.16 0.00 0.47 0.00 0.00 55.06 54.18 2i7k s HIS 111 Cb 0.28 -1.80 0.01 0.00 -0.13 0.00 0.00 32.58 30.93 2i7k s HIS 111 CO -0.10 -0.68 0.55 -1.01 -2.47 0.00 0.00 174.74 171.03 2i7k s HIS 112 N 1.05 0.14 0.19 3.88 3.76 -1.26 -5.13 115.29 117.92 2i7k s HIS 112 Ca -0.02 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2i7k s HIS 112 Cb -0.14 0.35 0.00 0.00 1.11 0.00 0.00 32.58 33.90 2i7k s HIS 112 CO -0.07 -1.04 0.00 1.58 -0.85 0.00 0.00 174.74 174.36 2i7k n HIS 113 N -0.39 -2.10 -4.44 1.40 -0.00 -1.26 -5.10 115.22 103.32 2i7k n HIS 113 Ca -0.04 1.10 -0.24 0.00 -0.00 0.00 0.00 57.72 58.55 2i7k n HIS 113 Cb 0.61 -2.39 -0.08 0.00 -0.00 0.00 0.00 29.99 28.13 2i7k n HIS 113 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2i7k s HIS 114 N -1.76 1.76 -0.00 1.57 -3.43 -1.26 -5.13 115.29 107.04 2i7k s HIS 114 Ca 0.00 -1.41 -0.28 0.00 -0.80 0.00 0.00 55.06 52.57 2i7k s HIS 114 Cb 0.00 -1.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.10 2i7k s HIS 114 CO 0.00 -0.49 0.90 -3.38 -2.00 0.00 0.00 174.74 169.78 2i7k s HIS 115 N -3.29 3.66 0.00 0.38 -3.43 -1.26 -5.37 115.29 105.98 2i7k s HIS 115 Ca 0.29 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 56.14 2i7k s HIS 115 Cb 0.02 -3.02 0.00 0.00 -1.43 0.00 0.00 32.58 28.15 2i7k s HIS 115 CO 0.18 0.05 0.00 1.58 -2.00 0.00 0.00 174.74 174.55