#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 3.26 -0.19 0.03 0.41 -1.26 -4.91 118.70 116.04 2i7k s GLU 1 Ca 0.00 -0.46 0.11 0.00 -0.41 0.00 0.00 54.97 54.22 2i7k s GLU 1 Cb 0.00 -3.94 0.67 0.00 -1.78 0.00 0.00 34.13 29.08 2i7k s GLU 1 CO 0.00 -0.93 1.51 -0.85 -0.49 0.00 0.00 175.26 174.50 2i7k n GLU 2 N 6.03 4.16 -0.03 1.61 -0.00 -1.26 -3.96 120.64 127.18 2i7k n GLU 2 Ca -0.03 -2.55 0.02 0.00 -0.00 0.00 0.00 57.16 54.60 2i7k n GLU 2 Cb 0.48 -2.12 0.04 0.00 -0.00 0.00 0.00 31.44 29.83 2i7k n GLU 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2i7k n VAL 3 N 0.52 0.36 0.16 3.84 0.31 -1.26 -4.58 118.33 117.68 2i7k n VAL 3 Ca 0.22 -0.68 0.07 0.00 -0.01 0.00 0.00 64.34 63.95 2i7k n VAL 3 Cb 1.02 0.88 0.08 0.00 -0.91 0.00 0.00 33.84 34.91 2i7k n VAL 3 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2i7k h GLU 4 N 0.91 0.00 0.00 5.55 5.08 -2.01 -3.29 114.58 120.83 2i7k h GLU 4 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2i7k h GLU 4 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2i7k h GLU 4 CO 0.00 0.22 -0.96 1.96 -1.00 0.00 0.00 179.01 179.23 2i7k h GLN 5 N 0.00 0.00 0.35 2.33 7.50 -1.86 -3.35 115.11 120.08 2i7k h GLN 5 Ca -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.13 2i7k h GLN 5 Cb 1.19 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.69 2i7k h GLN 5 CO 0.03 0.96 -0.46 1.15 -1.50 0.00 0.00 178.83 179.00 2i7k h THR 6 N 0.00 0.09 -0.86 -0.54 2.02 -1.84 -2.10 112.91 109.68 2i7k h THR 6 Ca -0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 2i7k h THR 6 Cb 1.71 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 68.12 2i7k h THR 6 CO 0.12 0.00 0.44 1.55 0.37 0.00 0.00 175.52 178.00 2i7k h PRO 7 N -0.86 0.60 -0.65 6.66 0.13 -1.73 -0.74 132.00 135.41 2i7k h PRO 7 Ca -0.03 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.12 2i7k h PRO 7 Cb 0.79 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 2i7k h PRO 7 CO -0.13 0.40 0.37 -0.07 -0.23 0.00 0.00 178.00 178.34 2i7k h LEU 8 N 0.62 0.56 -0.71 1.56 4.07 -1.61 -0.85 115.31 118.94 2i7k h LEU 8 Ca 0.47 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 58.37 2i7k h LEU 8 Cb 0.67 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 2i7k h LEU 8 CO -0.37 0.37 0.09 -0.61 -1.08 0.00 0.00 178.44 176.84 2i7k h GLN 9 N 0.69 1.08 -0.39 1.13 4.15 -0.49 -2.51 115.11 118.77 2i7k h GLN 9 Ca 0.29 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2i7k h GLN 9 Cb 0.15 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2i7k h GLN 9 CO -0.16 1.00 0.24 0.93 -1.93 0.00 0.00 178.83 178.90 2i7k h GLU 10 N 1.01 0.52 -1.01 1.69 5.08 -0.48 -2.37 114.58 119.02 2i7k h GLU 10 Ca 0.20 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2i7k h GLU 10 Cb 0.45 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 2i7k h GLU 10 CO 0.01 0.38 0.66 0.00 -1.00 0.00 0.00 179.01 179.07 2i7k h ALA 11 N 1.11 1.32 -0.49 3.43 0.00 -1.03 -2.22 119.26 121.38 2i7k h ALA 11 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2i7k h ALA 11 Cb -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2i7k h ALA 11 CO -0.03 0.59 0.30 -0.07 0.00 0.00 0.00 179.25 180.04 2i7k h LEU 12 N 1.30 0.48 -1.41 0.00 -0.00 -1.00 -1.96 115.31 112.72 2i7k h LEU 12 Ca 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.25 2i7k h LEU 12 Cb -0.04 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 2i7k h LEU 12 CO -0.11 0.34 0.09 0.78 -0.00 0.00 0.00 178.44 179.54 2i7k h ASN 13 N 0.59 0.44 -0.41 -0.43 2.35 -0.93 -2.05 115.58 115.14 2i7k h ASN 13 Ca 0.20 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2i7k h ASN 13 Cb 0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2i7k h ASN 13 CO -0.09 0.44 0.09 1.56 -1.65 0.00 0.00 177.43 177.78 2i7k h GLN 14 N 0.48 0.67 -0.65 0.81 1.08 -0.81 -0.21 115.11 116.47 2i7k h GLN 14 Ca 0.11 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 2i7k h GLN 14 Cb 0.17 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 2i7k h GLN 14 CO -0.01 0.70 0.27 1.25 -0.95 0.00 0.00 178.83 180.09 2i7k h LEU 15 N 0.53 0.90 -0.24 1.46 6.46 -1.04 -1.42 115.31 121.96 2i7k h LEU 15 Ca 0.13 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 2i7k h LEU 15 Cb 0.34 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2i7k h LEU 15 CO 0.00 0.82 0.07 0.24 -0.62 0.00 0.00 178.44 178.95 2i7k h MET 16 N 0.92 0.37 -0.59 1.25 2.86 -1.18 -2.04 114.93 116.52 2i7k h MET 16 Ca 0.22 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2i7k h MET 16 Cb 0.20 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2i7k h MET 16 CO -0.02 0.46 0.36 0.00 1.06 0.00 0.00 176.91 178.77 2i7k h ARG 17 N 0.21 0.80 -0.39 1.72 3.08 -0.89 0.18 114.38 119.09 2i7k h ARG 17 Ca 0.08 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2i7k h ARG 17 Cb 0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2i7k h ARG 17 CO -0.00 0.57 0.25 0.37 -1.07 0.00 0.00 179.97 180.08 2i7k h GLN 18 N 0.79 0.49 -0.44 0.04 5.75 -1.17 0.11 115.11 120.68 2i7k h GLN 18 Ca 0.21 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.57 2i7k h GLN 18 Cb -0.03 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2i7k h GLN 18 CO -0.04 0.32 -0.14 -0.07 -2.65 0.00 0.00 178.83 176.25 2i7k h LEU 19 N 0.50 0.89 -0.59 -2.39 3.38 -1.08 -1.78 115.31 114.24 2i7k h LEU 19 Ca 0.15 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2i7k h LEU 19 Cb -0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2i7k h LEU 19 CO -0.05 1.07 0.21 -0.61 0.09 0.00 0.00 178.44 179.15 2i7k h GLN 20 N 0.71 0.91 0.00 1.13 5.75 -0.37 -2.60 115.11 120.64 2i7k h GLN 20 Ca 0.11 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2i7k h GLN 20 Cb 0.69 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.10 2i7k h GLN 20 CO 0.05 0.79 0.00 -0.09 -2.65 0.00 0.00 178.83 176.93 2i7k h ARG 21 N 0.83 0.00 0.00 1.69 2.43 -0.73 -3.37 114.38 115.23 2i7k h ARG 21 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2i7k h ARG 21 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2i7k h ARG 21 CO -0.01 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.08 2i7k n LYS 22 N -2.59 0.00 0.00 0.20 5.02 -0.68 -4.97 118.16 115.15 2i7k n LYS 22 Ca 0.03 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2i7k n LYS 22 Cb 0.37 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2i7k n LYS 22 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2i7k n ASP 23 N -2.05 0.00 0.08 4.39 9.92 -1.26 -4.98 116.55 122.65 2i7k n ASP 23 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.34 2i7k n ASP 23 Cb 0.00 0.00 0.53 0.00 -0.64 0.00 0.00 41.12 41.01 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 0.29 0.00 -0.24 0.11 -1.88 -1.64 132.00 128.64 2i7k h PRO 24 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2i7k h PRO 24 Cb 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 2i7k h PRO 24 CO 0.00 0.19 -0.01 0.77 -0.21 0.00 0.00 178.00 178.74 2i7k h SER 25 N 0.29 0.00 -0.74 -2.05 0.02 -1.81 -2.62 113.55 106.65 2i7k h SER 25 Ca 0.12 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.29 2i7k h SER 25 Cb 0.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2i7k h SER 25 CO -0.03 0.01 0.58 0.00 -1.14 0.00 0.00 176.83 176.25 2i7k h ALA 26 N 1.99 2.64 0.07 3.77 0.00 -1.51 0.98 119.26 127.20 2i7k h ALA 26 Ca -0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2i7k h ALA 26 Cb 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2i7k h ALA 26 CO 0.00 -0.96 -1.67 0.74 0.00 0.00 0.00 179.25 177.36 2i7k h PHE 27 N 0.00 0.27 -0.52 0.00 -1.00 -1.69 -3.36 116.94 110.65 2i7k h PHE 27 Ca 0.35 -0.20 -0.29 0.00 2.81 0.00 0.00 57.97 60.65 2i7k h PHE 27 Cb 1.50 -0.01 -0.17 0.00 3.61 0.00 0.00 35.95 40.88 2i7k h PHE 27 CO 0.00 1.32 0.04 1.19 -1.61 0.00 0.00 178.31 179.25 2i7k n PHE 28 N -3.31 1.62 1.36 -0.55 3.72 -0.07 -4.55 117.46 115.68 2i7k n PHE 28 Ca -0.19 -1.77 0.13 0.00 -0.05 0.00 0.00 57.45 55.58 2i7k n PHE 28 Cb 1.04 -0.61 0.45 0.00 -0.94 0.00 0.00 39.48 39.42 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 -1.10 1.21 -4.28 4.37 2.88 0.32 -2.26 113.62 114.76 2i7k n SER 29 Ca 0.40 -1.14 -0.17 0.00 -1.33 0.00 0.00 58.87 56.63 2i7k n SER 29 Cb 1.12 0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 64.55 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 -2.28 1.46 -0.53 0.66 0.40 -1.26 -3.55 117.98 112.88 2i7k s PHE 30 Ca 0.30 -0.63 -0.27 0.00 -0.60 0.00 0.00 56.93 55.73 2i7k s PHE 30 Cb 0.20 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 43.00 2i7k s PHE 30 CO 0.44 0.20 1.65 -1.25 0.70 0.00 0.00 175.22 176.96 2i7k s PRO 31 N -3.37 3.08 0.54 0.24 0.04 -1.26 -4.70 135.00 129.56 2i7k s PRO 31 Ca 0.16 0.72 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 2i7k s PRO 31 Cb -0.01 -4.23 -0.06 0.00 0.04 0.00 0.00 34.50 30.24 2i7k s PRO 31 CO 0.03 -2.19 1.03 1.33 0.04 0.00 0.00 177.00 177.24 2i7k n VAL 32 N 7.10 3.34 -3.38 -0.36 0.24 -1.26 -4.95 118.33 119.06 2i7k n VAL 32 Ca 0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2i7k n VAL 32 Cb 0.50 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 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 -1.28 0.00 1.37 3.34 -1.04 -1.26 -4.86 114.28 110.55 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 0.68 0.00 -1.82 0.00 0.00 70.33 69.63 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 -0.99 0.00 0.00 8.00 2.03 -1.26 -2.28 116.55 122.05 2i7k n ASP 34 Ca 0.00 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.80 2i7k n ASP 34 Cb 0.00 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.10 0.00 0.22 -0.67 3.01 -1.26 -4.78 117.46 112.88 2i7k n PHE 35 Ca 0.16 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.69 2i7k n PHE 35 Cb 0.12 0.09 0.52 0.00 -0.01 0.00 0.00 39.48 40.20 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 0.96 -2.98 4.37 2.04 -1.94 -3.43 117.51 116.54 2i7k h ILE 36 Ca 0.00 -0.85 -0.61 0.00 1.00 0.00 0.00 64.86 64.40 2i7k h ILE 36 Cb 0.45 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 2i7k h ILE 36 CO 0.00 0.22 -0.56 0.00 0.00 0.00 0.00 178.15 177.81 2i7k s ALA 37 N -4.29 3.70 -1.88 1.87 0.00 -0.97 -4.73 121.76 115.47 2i7k s ALA 37 Ca -0.03 -1.01 0.22 0.00 0.00 0.00 0.00 51.96 51.14 2i7k s ALA 37 Cb 0.14 -1.54 1.26 0.00 0.00 0.00 0.00 23.12 22.98 2i7k s ALA 37 CO 0.67 0.70 1.69 -0.35 0.00 0.00 0.00 175.76 178.47 2i7k n PRO 38 N 0.18 0.61 0.00 0.00 -0.04 -1.26 -4.55 135.00 129.93 2i7k n PRO 38 Ca -0.08 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2i7k n PRO 38 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.41 0.00 0.12 0.55 0.00 -1.26 -5.06 105.19 99.94 2i7k n GLY 39 Ca 0.15 0.00 -0.13 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 -0.18 0.00 1.61 -1.99 -1.81 -2.56 116.97 112.04 2i7k h TYR 40 Ca 0.00 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2i7k h TYR 40 Cb 0.00 0.06 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 2i7k h TYR 40 CO 0.00 0.15 -0.12 1.03 -0.00 0.00 0.00 178.16 179.23 2i7k h SER 41 N -0.52 0.00 1.27 3.88 0.87 -1.78 1.00 113.55 118.27 2i7k h SER 41 Ca -0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 2i7k h SER 41 Cb 0.41 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2i7k h SER 41 CO 0.03 0.12 -0.52 -0.03 -0.53 0.00 0.00 176.83 175.90 2i7k h MET 42 N 0.00 0.00 0.00 2.24 -1.53 -1.90 -3.41 114.93 110.34 2i7k h MET 42 Ca -0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2i7k h MET 42 Cb 0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.35 2i7k h MET 42 CO 0.02 0.52 -1.01 1.51 0.14 0.00 0.00 176.91 178.09 2i7k n ILE 43 N -3.32 0.01 -3.76 1.77 0.13 -0.98 -4.98 119.36 108.23 2i7k n ILE 43 Ca 0.01 -0.00 -0.37 0.00 -1.10 0.00 0.00 62.75 61.29 2i7k n ILE 43 Cb 0.70 -0.80 -0.12 0.00 -0.84 0.00 0.00 39.64 38.58 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 -2.00 3.56 0.12 9.51 1.09 0.34 -5.00 121.20 128.82 2i7k s ILE 44 Ca -0.00 -1.50 -0.30 0.00 -1.10 0.00 0.00 60.65 57.75 2i7k s ILE 44 Cb 0.00 -3.17 -0.08 0.00 -1.06 0.00 0.00 42.46 38.15 2i7k s ILE 44 CO 0.00 -0.37 1.59 0.11 -0.10 0.00 0.00 174.94 176.17 2i7k h LYS 45 N 8.16 -0.55 -3.67 2.79 6.56 -1.81 -3.32 116.57 124.74 2i7k h LYS 45 Ca -0.20 0.04 -0.64 0.00 -1.06 0.00 0.00 60.65 58.79 2i7k h LYS 45 Cb 1.07 0.12 -0.41 0.00 -0.57 0.00 0.00 32.23 32.44 2i7k h LYS 45 CO 0.65 -0.36 -0.66 -1.01 -2.06 0.00 0.00 179.45 176.01 2i7k s HIS 46 N -5.91 3.25 0.13 -1.35 3.76 -1.26 -4.86 115.29 109.06 2i7k s HIS 46 Ca -0.16 -3.10 -0.00 0.00 -0.15 0.00 0.00 55.06 51.65 2i7k s HIS 46 Cb 0.08 -2.80 -0.11 0.00 1.11 0.00 0.00 32.58 30.86 2i7k s HIS 46 CO 0.64 -0.79 1.29 -1.00 -0.85 0.00 0.00 174.74 174.03 2i7k h PRO 47 N 6.77 0.25 -5.34 8.40 0.13 -1.92 -3.46 132.00 136.83 2i7k h PRO 47 Ca -0.07 -0.31 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 2i7k h PRO 47 Cb 0.92 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2i7k h PRO 47 CO 0.64 1.06 -0.88 -1.33 -0.23 0.00 0.00 178.00 177.26 2i7k n MET 48 N -3.62 -2.88 -2.01 0.86 2.81 -1.26 -2.39 117.12 108.63 2i7k n MET 48 Ca -0.05 2.40 -0.28 0.00 -1.81 0.00 0.00 57.70 57.96 2i7k n MET 48 Cb 0.88 -4.97 0.11 0.00 -0.71 0.00 0.00 33.22 28.53 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 -1.84 4.23 0.30 7.83 1.11 -1.26 -4.35 116.67 122.69 2i7k s ASP 49 Ca 0.08 0.53 0.01 0.00 0.18 0.00 0.00 52.55 53.36 2i7k s ASP 49 Cb -0.02 -0.94 0.56 0.00 1.07 0.00 0.00 42.92 43.58 2i7k s ASP 49 CO 0.72 -2.04 1.90 -0.26 1.18 0.00 0.00 175.17 176.67 2i7k h PHE 50 N -1.08 1.04 -0.54 4.23 -1.00 -1.73 -0.98 116.94 116.88 2i7k h PHE 50 Ca -0.45 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.27 2i7k h PHE 50 Cb 1.30 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 2i7k h PHE 50 CO -0.06 0.52 0.01 1.03 -1.61 0.00 0.00 178.31 178.19 2i7k h SER 51 N 1.00 0.93 0.05 2.17 0.87 -1.76 0.16 113.55 116.98 2i7k h SER 51 Ca 0.41 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2i7k h SER 51 Cb 0.28 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2i7k h SER 51 CO -0.17 1.01 -0.02 0.74 -0.53 0.00 0.00 176.83 177.86 2i7k h THR 52 N 0.83 1.14 -0.51 2.23 2.02 -1.71 -1.95 112.91 114.96 2i7k h THR 52 Ca 0.15 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 2i7k h THR 52 Cb 0.53 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2i7k h THR 52 CO 0.03 0.16 -0.03 0.00 0.37 0.00 0.00 175.52 176.04 2i7k h MET 53 N -0.34 0.92 -0.59 6.66 3.00 -1.20 -2.48 114.93 120.89 2i7k h MET 53 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 59.70 59.41 2i7k h MET 53 Cb 0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 31.60 31.80 2i7k h MET 53 CO 0.01 0.96 0.37 -0.22 0.00 0.00 0.00 176.91 178.03 2i7k h LYS 54 N 0.79 0.71 -0.58 -0.10 3.11 -0.67 0.38 116.57 120.21 2i7k h LYS 54 Ca 0.14 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.90 2i7k h LYS 54 Cb 0.56 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.61 2i7k h LYS 54 CO 0.03 0.47 0.18 1.49 -2.81 0.00 0.00 179.45 178.82 2i7k h GLU 55 N 0.73 0.87 -0.40 1.90 4.22 -1.27 -2.55 114.58 118.09 2i7k h GLU 55 Ca 0.23 -0.16 -0.10 0.00 0.08 0.00 0.00 59.36 59.42 2i7k h GLU 55 Cb -0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2i7k h GLU 55 CO -0.09 0.74 -0.13 0.87 -2.18 0.00 0.00 179.01 178.22 2i7k h LYS 56 N 0.84 0.79 -1.01 1.92 1.79 -0.88 -3.07 116.57 116.96 2i7k h LYS 56 Ca 0.19 -0.32 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 2i7k h LYS 56 Cb 0.24 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.80 2i7k h LYS 56 CO -0.01 0.94 0.66 0.82 -1.08 0.00 0.00 179.45 180.78 2i7k h ILE 57 N 0.60 1.21 -0.01 1.86 2.04 -0.66 -0.79 117.51 121.77 2i7k h ILE 57 Ca 0.10 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2i7k h ILE 57 Cb 0.67 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2i7k h ILE 57 CO 0.05 0.24 0.06 0.50 0.00 0.00 0.00 178.15 178.99 2i7k h LYS 58 N 1.31 0.00 -0.49 2.37 3.64 -1.36 0.74 116.57 122.78 2i7k h LYS 58 Ca 0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 2i7k h LYS 58 Cb -0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2i7k h LYS 58 CO -0.11 0.00 0.01 0.09 -2.27 0.00 0.00 179.45 177.17 2i7k n ASN 59 N -3.13 5.22 -1.60 4.20 3.02 -0.40 -4.91 115.26 117.65 2i7k n ASN 59 Ca -0.03 -2.97 -0.18 0.00 -0.03 0.00 0.00 54.58 51.37 2i7k n ASN 59 Cb 0.12 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 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 -5.26 0.04 6.41 2.85 0.25 -4.88 115.26 114.96 2i7k n ASN 60 Ca 0.26 0.33 -0.20 0.00 -0.11 0.00 0.00 54.58 54.86 2i7k n ASN 60 Cb 1.12 -4.37 -0.11 0.00 1.24 0.00 0.00 39.78 37.66 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 0.74 -3.52 1.20 3.58 -1.42 -3.41 116.42 113.59 2i7k h ASP 61 Ca -0.39 -0.78 -0.69 0.00 0.42 0.00 0.00 57.03 55.58 2i7k h ASP 61 Cb 1.24 -0.23 -0.35 0.00 1.72 0.00 0.00 39.33 41.71 2i7k h ASP 61 CO 0.54 1.43 -0.54 -0.31 -2.88 0.00 0.00 179.24 177.48 2i7k s TYR 62 N -3.15 3.58 0.00 0.28 2.02 -1.25 -4.81 117.35 114.01 2i7k s TYR 62 Ca -0.11 -2.44 0.00 0.00 -0.37 0.00 0.00 57.07 54.14 2i7k s TYR 62 Cb 0.05 -3.22 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 2i7k s TYR 62 CO 0.88 -0.97 0.85 0.00 -1.57 0.00 0.00 175.55 174.75 2i7k n GLN 63 N 4.53 0.00 -4.99 -0.62 10.64 -1.26 -4.69 117.38 120.98 2i7k n GLN 63 Ca -0.02 -0.80 -0.28 0.00 -1.83 0.00 0.00 57.00 54.07 2i7k n GLN 63 Cb 0.41 -0.44 -0.16 0.00 -0.86 0.00 0.00 30.24 29.19 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2i7k s SER 64 N -0.73 2.45 0.30 2.61 0.01 -1.26 -4.93 113.70 112.15 2i7k s SER 64 Ca 0.00 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 56.90 2i7k s SER 64 Cb 0.00 -0.55 0.65 0.00 0.21 0.00 0.00 66.02 66.33 2i7k s SER 64 CO 0.00 0.21 1.82 0.16 0.41 0.00 0.00 173.24 175.83 2i7k h ILE 65 N 5.01 0.83 -0.30 1.44 -2.65 -1.97 0.22 117.51 120.09 2i7k h ILE 65 Ca -0.34 -0.30 -0.14 0.00 1.03 0.00 0.00 64.86 65.10 2i7k h ILE 65 Cb 1.16 -0.13 -0.00 0.00 -2.05 0.00 0.00 36.82 35.80 2i7k h ILE 65 CO 0.48 0.16 -0.35 -0.33 0.03 0.00 0.00 178.15 178.13 2i7k h GLU 66 N 0.89 0.77 -0.14 0.16 3.07 -1.98 -1.21 114.58 116.13 2i7k h GLU 66 Ca 0.53 -0.43 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2i7k h GLU 66 Cb 0.67 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2i7k h GLU 66 CO -0.31 1.05 0.00 1.49 -1.40 0.00 0.00 179.01 179.85 2i7k h GLU 67 N 0.52 0.25 -0.25 2.33 4.57 -1.66 -0.63 114.58 119.71 2i7k h GLU 67 Ca 0.04 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 2i7k h GLU 67 Cb 0.94 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2i7k h GLU 67 CO 0.09 0.48 -0.11 1.37 -1.18 0.00 0.00 179.01 179.65 2i7k h LEU 68 N -0.00 0.53 -0.86 1.64 8.10 -0.68 -2.58 115.31 121.47 2i7k h LEU 68 Ca 0.04 -0.40 -0.06 0.00 0.11 0.00 0.00 57.88 57.57 2i7k h LEU 68 Cb 0.36 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.41 2i7k h LEU 68 CO 0.01 0.81 0.16 0.50 -4.11 0.00 0.00 178.44 175.81 2i7k h LYS 69 N 0.25 1.01 -0.36 0.17 3.64 -1.25 -1.09 116.57 118.94 2i7k h LYS 69 Ca 0.06 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2i7k h LYS 69 Cb 0.61 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2i7k h LYS 69 CO 0.03 0.89 0.17 -0.44 -2.27 0.00 0.00 179.45 177.84 2i7k h ASP 70 N 0.96 0.47 -0.03 4.20 3.32 -1.06 0.24 116.42 124.52 2i7k h ASP 70 Ca 0.21 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2i7k h ASP 70 Cb 0.33 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2i7k h ASP 70 CO -0.00 0.46 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.83 2i7k h ASN 71 N 0.44 0.08 -0.26 6.45 -0.00 -1.31 -0.57 115.58 120.41 2i7k h ASN 71 Ca 0.12 -0.43 -0.02 0.00 -0.00 0.00 0.00 56.30 55.98 2i7k h ASN 71 Cb 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.40 2i7k h ASN 71 CO -0.02 0.49 0.09 0.15 -0.00 0.00 0.00 177.43 178.14 2i7k h PHE 72 N -0.33 0.40 -0.47 0.67 3.57 -1.20 -2.55 116.94 117.04 2i7k h PHE 72 Ca 0.01 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2i7k h PHE 72 Cb 0.46 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2i7k h PHE 72 CO 0.07 0.43 0.14 -0.22 -2.23 0.00 0.00 178.31 176.51 2i7k h LYS 73 N 0.26 0.69 -0.39 1.11 3.64 -0.56 -2.37 116.57 118.94 2i7k h LYS 73 Ca 0.08 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2i7k h LYS 73 Cb 0.21 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2i7k h LYS 73 CO -0.00 0.60 0.17 -0.07 -2.27 0.00 0.00 179.45 177.88 2i7k h LEU 74 N 0.67 0.53 -0.32 5.20 3.38 -0.82 -0.19 115.31 123.75 2i7k h LEU 74 Ca 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2i7k h LEU 74 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2i7k h LEU 74 CO -0.01 0.53 0.01 -0.03 0.09 0.00 0.00 178.44 179.03 2i7k h MET 75 N 0.49 0.57 -0.61 1.13 4.05 -1.09 0.27 114.93 119.73 2i7k h MET 75 Ca 0.13 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 2i7k h MET 75 Cb 0.16 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 2i7k h MET 75 CO -0.01 0.69 0.30 0.00 0.23 0.00 0.00 176.91 178.12 2i7k h THR 77 N 0.84 1.29 -0.28 0.00 1.03 -0.94 -1.38 112.91 113.46 2i7k h THR 77 Ca 0.21 -1.87 -0.11 0.00 -0.01 0.00 0.00 66.41 64.62 2i7k h THR 77 Cb 0.11 1.83 -0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2i7k h THR 77 CO -0.03 0.60 -0.26 0.78 -0.01 0.00 0.00 175.52 176.60 2i7k h ASN 78 N 0.56 0.72 -0.33 0.00 4.21 -0.29 -2.02 115.58 118.42 2i7k h ASN 78 Ca -0.02 -0.46 -0.10 0.00 1.21 0.00 0.00 56.30 56.92 2i7k h ASN 78 Cb 1.27 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 2i7k h ASN 78 CO 0.14 1.03 -0.20 0.00 -1.29 0.00 0.00 177.43 177.12 2i7k h ALA 79 N 0.71 0.47 -0.62 -0.83 0.00 -0.38 -2.65 119.26 115.96 2i7k h ALA 79 Ca 0.05 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2i7k h ALA 79 Cb 0.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2i7k h ALA 79 CO 0.07 0.42 0.03 0.00 0.00 0.00 0.00 179.25 179.76 2i7k h MET 80 N 0.49 1.07 -0.62 0.00 -0.00 -1.28 -2.26 114.93 112.34 2i7k h MET 80 Ca 0.07 -0.33 -0.06 0.00 -0.00 0.00 0.00 59.70 59.38 2i7k h MET 80 Cb 0.74 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 32.21 2i7k h MET 80 CO 0.06 1.03 0.15 0.97 -0.00 0.00 0.00 176.91 179.11 2i7k h ILE 81 N 0.98 1.25 -0.96 -0.10 6.09 -1.36 -2.82 117.51 120.59 2i7k h ILE 81 Ca 0.18 -0.90 -0.66 0.00 -1.37 0.00 0.00 64.86 62.11 2i7k h ILE 81 Cb 0.53 0.61 -0.31 0.00 0.47 0.00 0.00 36.82 38.11 2i7k h ILE 81 CO 0.03 0.34 0.58 0.00 -3.07 0.00 0.00 178.15 176.03 2i7k n TYR 82 N -4.25 3.15 -2.89 2.19 9.36 -1.00 -4.71 117.16 119.01 2i7k n TYR 82 Ca 0.05 -2.89 -0.00 0.00 3.32 0.00 0.00 57.90 58.37 2i7k n TYR 82 Cb 0.25 -1.26 0.01 0.00 -0.63 0.00 0.00 39.34 37.70 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 -2.14 -0.92 1.08 2.98 3.84 -0.86 -4.96 114.94 113.95 2i7k s ASN 83 Ca 0.63 -0.70 -0.12 0.00 0.21 0.00 0.00 52.86 52.88 2i7k s ASN 83 Cb 0.49 1.19 0.23 0.00 -0.55 0.00 0.00 41.25 42.62 2i7k s ASN 83 CO -0.00 -0.08 1.06 -0.54 -2.79 0.00 0.00 177.10 174.75 2i7k s LYS 84 N 1.54 -0.22 -0.63 0.43 1.02 -1.26 -4.49 119.74 116.14 2i7k s LYS 84 Ca 0.20 0.83 -0.27 0.00 0.02 0.00 0.00 55.97 56.75 2i7k s LYS 84 Cb 0.02 -1.64 -0.25 0.00 -0.52 0.00 0.00 37.83 35.44 2i7k s LYS 84 CO -0.10 -3.25 1.85 -0.35 -0.92 0.00 0.00 175.35 172.58 2i7k n PRO 85 N -4.58 0.59 0.05 -1.68 -0.04 -1.26 -4.43 135.00 123.64 2i7k n PRO 85 Ca 0.05 -1.59 -0.04 0.00 -0.04 0.00 0.00 63.50 61.87 2i7k n PRO 85 Cb 0.55 -3.15 -0.02 0.00 -0.04 0.00 0.00 33.50 30.83 2i7k n PRO 85 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2i7k h GLU 86 N 9.95 -0.22 0.00 0.54 4.81 -1.98 -3.49 114.58 124.18 2i7k h GLU 86 Ca 0.22 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2i7k h GLU 86 Cb 0.81 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2i7k h GLU 86 CO 1.63 -0.10 0.00 0.25 -0.73 0.00 0.00 179.01 180.07 2i7k n THR 87 N -4.92 0.00 0.05 0.32 -2.24 -1.26 -5.01 114.28 101.21 2i7k n THR 87 Ca -0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.75 2i7k n THR 87 Cb 0.11 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.58 0.00 -0.09 2.28 2.08 -1.26 -4.66 119.36 117.13 2i7k n ILE 88 Ca 0.00 -0.47 -0.09 0.00 0.56 0.00 0.00 62.75 62.75 2i7k n ILE 88 Cb 0.00 0.99 -0.02 0.00 -0.75 0.00 0.00 39.64 39.86 2i7k n ILE 88 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 2i7k h TYR 89 N 0.00 0.39 -0.11 1.39 -1.99 -1.95 0.56 116.97 115.27 2i7k h TYR 89 Ca 0.00 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2i7k h TYR 89 Cb 0.03 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.63 2i7k h TYR 89 CO 0.00 0.30 0.02 -0.92 -0.00 0.00 0.00 178.16 177.56 2i7k h TYR 90 N 0.36 0.18 -0.27 4.88 3.20 -1.79 -2.38 116.97 121.16 2i7k h TYR 90 Ca 0.10 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 2i7k h TYR 90 Cb 0.03 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2i7k h TYR 90 CO -0.04 0.37 -0.18 0.87 -1.64 0.00 0.00 178.16 177.55 2i7k h LYS 91 N -0.05 0.48 -0.54 1.82 6.56 -1.81 -2.08 116.57 120.96 2i7k h LYS 91 Ca 0.03 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 59.45 2i7k h LYS 91 Cb 0.29 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2i7k h LYS 91 CO 0.00 0.65 0.26 0.00 -2.06 0.00 0.00 179.45 178.30 2i7k h ALA 92 N 1.38 0.69 -0.21 3.86 0.00 0.26 0.32 119.26 125.56 2i7k h ALA 92 Ca 0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2i7k h ALA 92 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2i7k h ALA 92 CO 0.04 0.25 -0.13 0.00 0.00 0.00 0.00 179.25 179.40 2i7k h ALA 93 N 1.10 0.30 -0.34 0.00 0.00 -1.27 -1.79 119.26 117.26 2i7k h ALA 93 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2i7k h ALA 93 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2i7k h ALA 93 CO -0.02 0.16 0.00 -0.22 0.00 0.00 0.00 179.25 179.17 2i7k h LYS 94 N 0.15 0.59 -0.55 0.00 3.64 -1.27 -1.98 116.57 117.14 2i7k h LYS 94 Ca 0.04 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2i7k h LYS 94 Cb 0.64 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2i7k h LYS 94 CO 0.04 0.71 0.33 -0.22 -2.27 0.00 0.00 179.45 178.04 2i7k h LYS 95 N 0.40 0.75 -0.45 1.90 3.64 -0.40 -2.24 116.57 120.16 2i7k h LYS 95 Ca 0.10 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2i7k h LYS 95 Cb 0.45 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2i7k h LYS 95 CO 0.02 0.55 0.12 1.25 -2.27 0.00 0.00 179.45 179.12 2i7k h LEU 96 N 0.74 0.61 -0.44 5.20 5.85 -1.26 -2.21 115.31 123.82 2i7k h LEU 96 Ca 0.20 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2i7k h LEU 96 Cb -0.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2i7k h LEU 96 CO -0.04 0.60 0.26 0.25 -0.34 0.00 0.00 178.44 179.17 2i7k h LEU 97 N 0.65 0.53 -0.39 2.25 6.46 -0.78 0.10 115.31 124.14 2i7k h LEU 97 Ca 0.15 -0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 2i7k h LEU 97 Cb 0.23 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2i7k h LEU 97 CO -0.01 0.45 0.05 0.45 -0.62 0.00 0.00 178.44 178.76 2i7k h HIS 98 N 0.58 0.70 -0.37 1.25 3.86 -1.14 -1.39 115.15 118.63 2i7k h HIS 98 Ca 0.16 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2i7k h HIS 98 Cb 0.02 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 2i7k h HIS 98 CO -0.03 0.70 0.11 0.66 0.86 0.00 0.00 177.93 180.24 2i7k h SER 99 N 0.50 0.55 -0.74 2.45 4.64 -1.23 -2.51 113.55 117.21 2i7k h SER 99 Ca 0.12 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2i7k h SER 99 Cb 0.39 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 2i7k h SER 99 CO 0.01 0.61 0.45 1.23 -0.87 0.00 0.00 176.83 178.27 2i7k h GLY 100 N 0.46 1.07 0.91 -0.77 0.00 -0.72 -2.32 103.07 101.70 2i7k h GLY 100 Ca 0.12 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2i7k h GLY 100 CO -0.00 0.43 0.44 -0.33 0.00 0.00 0.00 176.54 177.08 2i7k h MET 101 N 1.01 0.85 -0.25 4.80 2.86 -1.10 0.28 114.93 123.39 2i7k h MET 101 Ca 0.27 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2i7k h MET 101 Cb -0.05 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 2i7k h MET 101 CO -0.05 0.56 0.15 -0.22 1.06 0.00 0.00 176.91 178.41 2i7k h LYS 102 N 0.87 0.34 -0.21 1.72 3.11 -1.10 -2.73 116.57 118.58 2i7k h LYS 102 Ca 0.27 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.96 2i7k h LYS 102 Cb -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 2i7k h LYS 102 CO -0.09 0.28 -0.38 0.82 -2.81 0.00 0.00 179.45 177.27 2i7k h ILE 103 N 0.30 1.30 -0.68 2.00 2.04 -1.12 -2.97 117.51 118.39 2i7k h ILE 103 Ca 0.09 -1.51 0.15 0.00 1.00 0.00 0.00 64.86 64.59 2i7k h ILE 103 Cb 0.03 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2i7k h ILE 103 CO -0.02 0.47 0.46 0.25 0.00 0.00 0.00 178.15 179.31 2i7k h LEU 104 N 0.39 0.26 -0.98 1.44 6.46 -0.14 -0.79 115.31 121.95 2i7k h LEU 104 Ca 0.04 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 2i7k h LEU 104 Cb 0.84 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 2i7k h LEU 104 CO 0.07 0.14 0.63 0.28 -0.62 0.00 0.00 178.44 178.94 2i7k h SER 105 N 0.28 1.04 0.33 1.25 0.02 -1.37 -1.36 113.55 113.74 2i7k h SER 105 Ca 0.33 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 2i7k h SER 105 Cb 0.90 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2i7k h SER 105 CO -0.08 0.69 -0.35 -0.61 -1.14 0.00 0.00 176.83 175.34 2i7k h GLN 106 N 1.19 0.04 -0.08 3.45 4.15 -1.30 -3.17 115.11 119.39 2i7k h GLN 106 Ca 0.40 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.85 2i7k h GLN 106 Cb 0.08 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 2i7k h GLN 106 CO -0.15 0.38 -0.27 1.49 -1.93 0.00 0.00 178.83 178.36 2i7k h GLU 107 N 0.03 -0.35 -2.58 1.69 4.22 -1.17 -2.86 114.58 113.57 2i7k h GLU 107 Ca 0.00 0.02 -0.76 0.00 0.08 0.00 0.00 59.36 58.71 2i7k h GLU 107 Cb 0.63 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.81 2i7k h GLU 107 CO 0.05 -0.24 2.11 -2.13 -2.18 0.00 0.00 179.01 176.62 2i7k n ARG 108 N -5.38 4.74 -3.28 1.92 3.00 -1.20 -4.82 116.66 111.64 2i7k n ARG 108 Ca -0.04 -3.72 -0.04 0.00 -0.00 0.00 0.00 57.85 54.05 2i7k n ARG 108 Cb 0.30 -2.61 -0.05 0.00 0.00 0.00 0.00 32.46 30.09 2i7k n ARG 108 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2i7k s LEU 109 N -2.51 -0.92 -0.32 6.15 2.96 -1.08 -5.03 118.68 117.92 2i7k s LEU 109 Ca 0.50 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 54.90 2i7k s LEU 109 Cb 0.18 1.50 0.46 0.00 0.50 0.00 0.00 46.19 48.83 2i7k s LEU 109 CO -0.10 -0.29 1.28 -1.84 -1.32 0.00 0.00 176.35 174.08 2i7k n GLU 110 N 5.39 3.44 -2.75 1.98 0.28 -1.26 -4.98 120.64 122.74 2i7k n GLU 110 Ca -0.02 -4.05 -0.42 0.00 -0.16 0.00 0.00 57.16 52.51 2i7k n GLU 110 Cb 0.50 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.09 2i7k n GLU 110 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2i7k s HIS 111 N -3.61 2.76 0.41 -1.84 3.76 -1.26 -4.99 115.29 110.52 2i7k s HIS 111 Ca 0.52 -0.94 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 2i7k s HIS 111 Cb 0.42 -4.47 -0.03 0.00 1.11 0.00 0.00 32.58 29.61 2i7k s HIS 111 CO 0.03 -1.73 0.30 -1.01 -0.85 0.00 0.00 174.74 171.48 2i7k s HIS 112 N 4.01 2.68 -0.50 1.40 3.76 -1.26 -5.08 115.29 120.29 2i7k s HIS 112 Ca 0.36 -0.52 0.08 0.00 -0.15 0.00 0.00 55.06 54.82 2i7k s HIS 112 Cb -0.05 -2.08 0.35 0.00 1.11 0.00 0.00 32.58 31.90 2i7k s HIS 112 CO -0.04 0.01 0.87 0.72 -0.85 0.00 0.00 174.74 175.45 2i7k n HIS 113 N -1.42 2.68 -2.21 1.40 8.25 -1.26 -5.03 115.22 117.63 2i7k n HIS 113 Ca 0.02 -3.92 -0.01 0.00 -0.26 0.00 0.00 57.72 53.54 2i7k n HIS 113 Cb 0.63 -0.46 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 2i7k n HIS 113 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i7k n HIS 114 N -0.07 -3.98 -1.68 4.41 8.25 -1.26 -4.84 115.22 116.05 2i7k n HIS 114 Ca 0.29 2.35 -0.44 0.00 -0.26 0.00 0.00 57.72 59.66 2i7k n HIS 114 Cb 0.49 -3.55 -0.04 0.00 1.12 0.00 0.00 29.99 28.01 2i7k n HIS 114 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2i7k n HIS 115 N 1.51 2.51 1.65 4.41 1.44 -1.26 -5.33 115.22 120.15 2i7k n HIS 115 Ca -0.11 -0.08 0.15 0.00 -2.01 0.00 0.00 57.72 55.67 2i7k n HIS 115 Cb 0.17 -2.70 0.65 0.00 0.12 0.00 0.00 29.99 28.23 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25