#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7k h GLU 1 N 0.00 -0.01 -3.04 2.12 5.08 -2.06 -3.37 114.58 113.30 2i7k h GLU 1 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 2i7k h GLU 1 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2i7k h GLU 1 CO 0.00 -0.00 3.12 -0.85 -1.00 0.00 0.00 179.01 180.27 2i7k n GLU 2 N -2.09 3.89 0.00 2.33 0.00 -1.26 -3.73 120.64 119.77 2i7k n GLU 2 Ca -0.00 -2.80 0.00 0.00 0.00 0.00 0.00 57.16 54.36 2i7k n GLU 2 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 31.44 28.63 2i7k n GLU 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2i7k n VAL 3 N 3.12 0.00 0.05 3.84 0.24 -1.26 -4.92 118.33 119.41 2i7k n VAL 3 Ca 0.66 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 63.05 2i7k n VAL 3 Cb 0.27 -0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 32.42 2i7k n VAL 3 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2i7k n GLU 4 N -2.15 0.63 -0.25 7.34 4.71 -1.25 -4.22 120.64 125.45 2i7k n GLU 4 Ca 0.00 0.05 -0.07 0.00 -0.01 0.00 0.00 57.16 57.13 2i7k n GLU 4 Cb 0.00 -1.73 0.05 0.00 -1.01 0.00 0.00 31.44 28.74 2i7k n GLU 4 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 2i7k h GLN 5 N 0.00 1.01 0.60 3.49 -0.00 -1.86 -2.26 115.11 116.09 2i7k h GLN 5 Ca -0.05 -0.17 -0.03 0.00 -0.00 0.00 0.00 58.65 58.40 2i7k h GLN 5 Cb 1.14 -0.17 0.01 0.00 -0.00 0.00 0.00 27.48 28.46 2i7k h GLN 5 CO 0.01 0.83 -0.29 1.79 -0.00 0.00 0.00 178.83 181.17 2i7k h THR 6 N 0.97 0.24 -0.89 1.86 1.35 -1.88 -2.71 112.91 111.85 2i7k h THR 6 Ca 0.23 -0.34 0.17 0.00 -0.55 0.00 0.00 66.41 65.92 2i7k h THR 6 Cb 0.18 0.33 -0.10 0.00 -1.73 0.00 0.00 68.15 66.83 2i7k h THR 6 CO -0.02 0.03 0.47 -0.65 -0.25 0.00 0.00 175.52 175.10 2i7k h PRO 7 N -1.07 0.61 -0.83 4.72 0.11 -1.73 -0.51 132.00 133.31 2i7k h PRO 7 Ca -0.08 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.01 2i7k h PRO 7 Cb 0.67 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 2i7k h PRO 7 CO 0.13 0.40 0.54 -0.07 -0.21 0.00 0.00 178.00 178.80 2i7k h LEU 8 N 0.63 0.91 -0.64 2.35 3.38 -1.41 -1.90 115.31 118.63 2i7k h LEU 8 Ca 0.50 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.43 2i7k h LEU 8 Cb 0.76 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2i7k h LEU 8 CO -0.39 0.64 0.28 -0.61 0.09 0.00 0.00 178.44 178.46 2i7k h GLN 9 N 1.07 0.94 -0.31 1.13 4.15 -0.77 -1.21 115.11 120.11 2i7k h GLN 9 Ca 0.32 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2i7k h GLN 9 Cb -0.06 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 2i7k h GLN 9 CO -0.09 0.78 0.19 1.49 -1.93 0.00 0.00 178.83 179.27 2i7k h GLU 10 N 0.89 0.42 -0.21 1.69 4.57 -0.90 0.10 114.58 121.15 2i7k h GLU 10 Ca 0.22 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2i7k h GLU 10 Cb 0.17 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2i7k h GLU 10 CO -0.02 0.32 0.10 0.00 -1.18 0.00 0.00 179.01 178.22 2i7k h ALA 11 N 1.08 0.28 -0.65 2.92 0.00 -1.19 -1.24 119.26 120.47 2i7k h ALA 11 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2i7k h ALA 11 Cb -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2i7k h ALA 11 CO -0.02 -0.15 0.32 -0.07 0.00 0.00 0.00 179.25 179.33 2i7k h LEU 12 N 0.21 0.84 -1.07 0.00 3.38 -1.07 -2.18 115.31 115.42 2i7k h LEU 12 Ca 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2i7k h LEU 12 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2i7k h LEU 12 CO -0.01 0.73 0.17 0.78 0.09 0.00 0.00 178.44 180.20 2i7k h ASN 13 N 0.90 0.77 -0.27 -0.43 2.35 -0.64 -1.05 115.58 117.20 2i7k h ASN 13 Ca 0.22 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2i7k h ASN 13 Cb 0.10 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2i7k h ASN 13 CO -0.03 0.73 0.06 -0.61 -1.65 0.00 0.00 177.43 175.93 2i7k h GLN 14 N 0.81 0.44 -0.08 0.81 4.15 -0.84 -2.47 115.11 117.92 2i7k h GLN 14 Ca 0.18 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 2i7k h GLN 14 Cb 0.25 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2i7k h GLN 14 CO -0.01 0.54 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.09 2i7k h LEU 15 N 0.26 0.15 -0.30 -2.39 4.07 -1.18 -2.57 115.31 113.35 2i7k h LEU 15 Ca 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2i7k h LEU 15 Cb 0.31 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2i7k h LEU 15 CO 0.00 0.43 0.15 0.24 -1.08 0.00 0.00 178.44 178.19 2i7k h MET 16 N 0.13 0.43 -0.43 1.13 2.86 -0.89 -1.56 114.93 116.60 2i7k h MET 16 Ca 0.02 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2i7k h MET 16 Cb 0.57 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2i7k h MET 16 CO 0.04 0.38 -0.09 0.07 1.06 0.00 0.00 176.91 178.38 2i7k h ARG 17 N 0.36 0.75 -0.69 1.72 0.11 -1.28 -2.10 114.38 113.25 2i7k h ARG 17 Ca 0.10 -0.23 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 2i7k h ARG 17 Cb 0.09 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.07 2i7k h ARG 17 CO -0.01 0.82 0.36 0.37 0.10 0.00 0.00 179.97 181.60 2i7k h GLN 18 N 0.68 0.98 -0.51 0.08 4.15 -1.18 -1.56 115.11 117.75 2i7k h GLN 18 Ca 0.12 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 2i7k h GLN 18 Cb 0.55 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2i7k h GLN 18 CO 0.03 0.75 -0.07 -0.07 -1.93 0.00 0.00 178.83 177.55 2i7k h LEU 19 N 0.95 0.89 -0.72 -2.39 3.38 -1.06 -2.76 115.31 113.61 2i7k h LEU 19 Ca 0.24 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2i7k h LEU 19 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2i7k h LEU 19 CO -0.03 0.99 0.23 -0.61 0.09 0.00 0.00 178.44 179.10 2i7k h GLN 20 N 0.82 1.12 0.00 1.13 -0.00 -0.98 -2.46 115.11 114.74 2i7k h GLN 20 Ca 0.14 -0.24 0.00 0.00 -0.00 0.00 0.00 58.65 58.55 2i7k h GLN 20 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.90 2i7k h GLN 20 CO 0.04 0.96 0.00 -0.09 0.00 0.00 0.00 178.83 179.73 2i7k h ARG 21 N 1.06 0.00 0.00 1.69 1.12 -1.14 -3.36 114.38 113.75 2i7k h ARG 21 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 2i7k h ARG 21 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2i7k h ARG 21 CO -0.01 0.00 0.00 1.63 -3.11 0.00 0.00 179.97 178.48 2i7k n LYS 22 N -2.56 0.00 0.00 0.20 4.76 -0.93 -4.98 118.16 114.65 2i7k n LYS 22 Ca 0.02 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 2i7k n LYS 22 Cb 0.28 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.71 0.00 0.27 4.39 8.00 -1.26 -4.96 116.55 121.28 2i7k n ASP 23 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 2i7k n ASP 23 Cb 0.00 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 41.85 2i7k n ASP 23 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2i7k h PRO 24 N 0.00 0.00 -0.16 -0.24 0.13 -1.89 -2.65 132.00 127.20 2i7k h PRO 24 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2i7k h PRO 24 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2i7k h PRO 24 CO 0.00 0.11 0.03 1.03 -0.23 0.00 0.00 178.00 178.93 2i7k h SER 25 N 0.00 0.19 -0.59 1.44 0.87 -1.81 -2.15 113.55 111.50 2i7k h SER 25 Ca -0.00 -0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.68 2i7k h SER 25 Cb 0.31 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2i7k h SER 25 CO 0.01 0.22 0.41 0.00 -0.53 0.00 0.00 176.83 176.94 2i7k h ALA 26 N 1.82 2.29 -0.37 6.23 0.00 -1.64 0.68 119.26 128.26 2i7k h ALA 26 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2i7k h ALA 26 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2i7k h ALA 26 CO -0.00 -0.45 -0.20 0.74 0.00 0.00 0.00 179.25 179.34 2i7k h PHE 27 N 0.19 0.80 -0.13 0.00 -1.00 -1.58 -3.14 116.94 112.08 2i7k h PHE 27 Ca 0.28 -0.17 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 2i7k h PHE 27 Cb 0.85 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 40.18 2i7k h PHE 27 CO -0.00 0.86 -0.31 1.19 -1.61 0.00 0.00 178.31 178.44 2i7k n PHE 28 N -4.13 0.41 1.47 -0.55 3.01 -0.19 -4.66 117.46 112.82 2i7k n PHE 28 Ca 0.00 -1.49 0.15 0.00 1.01 0.00 0.00 57.45 57.12 2i7k n PHE 28 Cb 0.41 -0.33 0.71 0.00 -0.01 0.00 0.00 39.48 40.25 2i7k n PHE 28 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2i7k n SER 29 N -1.13 0.24 -4.27 4.37 3.41 0.22 -2.13 113.62 114.33 2i7k n SER 29 Ca 0.24 -0.44 -0.15 0.00 -0.26 0.00 0.00 58.87 58.26 2i7k n SER 29 Cb 0.82 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 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 -2.47 1.33 -0.37 7.33 0.40 -1.26 -3.42 117.98 119.53 2i7k s PHE 30 Ca 0.31 -0.94 -0.28 0.00 -0.60 0.00 0.00 56.93 55.42 2i7k s PHE 30 Cb 0.20 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 2i7k s PHE 30 CO 0.46 -0.10 1.80 -1.25 0.70 0.00 0.00 175.22 176.83 2i7k s PRO 31 N -3.87 3.25 0.60 0.24 0.04 -1.26 -4.68 135.00 129.32 2i7k s PRO 31 Ca 0.24 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.41 2i7k s PRO 31 Cb 0.05 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 2i7k s PRO 31 CO 0.05 -1.97 0.96 1.33 0.04 0.00 0.00 177.00 177.41 2i7k n VAL 32 N 7.39 3.70 -3.29 -0.36 0.24 -1.26 -4.96 118.33 119.78 2i7k n VAL 32 Ca 0.23 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2i7k n VAL 32 Cb 0.48 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 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 -1.75 0.00 1.06 3.34 -1.04 -1.26 -4.88 114.28 109.75 2i7k n THR 33 Ca 0.14 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.25 2i7k n THR 33 Cb 0.47 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.54 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 -1.14 0.00 -0.00 8.00 -0.08 -1.26 -1.80 116.55 120.27 2i7k n ASP 34 Ca 0.00 -0.08 -0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2i7k n ASP 34 Cb 0.00 -0.26 -0.00 0.00 2.34 0.00 0.00 41.12 43.20 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 -1.26 0.00 -0.17 -0.67 -0.00 -1.26 -4.73 117.46 109.37 2i7k n PHE 35 Ca 0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.50 2i7k n PHE 35 Cb 0.17 -0.02 0.10 0.00 -0.00 0.00 0.00 39.48 39.73 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 -0.01 1.25 -2.86 -2.13 2.04 -1.93 -3.44 117.51 110.43 2i7k h ILE 36 Ca -0.01 -1.03 -0.60 0.00 1.00 0.00 0.00 64.86 64.22 2i7k h ILE 36 Cb 1.01 0.77 -0.10 0.00 -0.74 0.00 0.00 36.82 37.76 2i7k h ILE 36 CO -0.00 0.38 -0.64 0.00 0.00 0.00 0.00 178.15 177.88 2i7k s ALA 37 N -5.07 3.28 -2.00 1.87 0.00 -0.74 -4.81 121.76 114.28 2i7k s ALA 37 Ca -0.11 -1.33 0.21 0.00 0.00 0.00 0.00 51.96 50.74 2i7k s ALA 37 Cb 0.14 -1.07 1.25 0.00 0.00 0.00 0.00 23.12 23.44 2i7k s ALA 37 CO 0.83 0.50 1.69 -2.30 0.00 0.00 0.00 175.76 176.48 2i7k n PRO 38 N -0.13 0.80 0.00 0.00 -0.02 -1.26 -4.56 135.00 129.83 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 0.55 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.54 0.00 0.15 -1.23 0.00 -1.26 -5.05 105.19 98.34 2i7k n GLY 39 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.43 0.00 1.61 -1.99 -1.81 -0.83 116.97 114.39 2i7k h TYR 40 Ca 0.00 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2i7k h TYR 40 Cb 0.00 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.59 2i7k h TYR 40 CO 0.00 0.33 -0.06 0.77 -0.00 0.00 0.00 178.16 179.20 2i7k h SER 41 N 0.41 0.00 0.26 3.88 0.02 -1.86 0.94 113.55 117.20 2i7k h SER 41 Ca 0.11 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.72 2i7k h SER 41 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2i7k h SER 41 CO -0.02 0.06 -1.77 0.00 -1.14 0.00 0.00 176.83 173.97 2i7k h MET 42 N 0.00 0.30 0.00 3.45 -0.00 -1.84 -3.41 114.93 113.42 2i7k h MET 42 Ca -0.00 -0.50 -0.42 0.00 -0.00 0.00 0.00 59.70 58.77 2i7k h MET 42 Cb 0.14 0.19 -0.07 0.00 -0.00 0.00 0.00 31.60 31.86 2i7k h MET 42 CO 0.01 1.18 -2.45 1.51 -0.00 0.00 0.00 176.91 177.15 2i7k n ILE 43 N -3.49 1.44 -3.37 -0.10 0.00 -0.36 -4.80 119.36 108.67 2i7k n ILE 43 Ca -0.24 -0.42 -0.46 0.00 0.00 0.00 0.00 62.75 61.63 2i7k n ILE 43 Cb 1.06 -1.70 -0.03 0.00 0.00 0.00 0.00 39.64 38.96 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2i7k s ILE 44 N -2.49 5.37 0.18 9.51 -1.09 0.32 -4.94 121.20 128.06 2i7k s ILE 44 Ca -0.36 -2.47 -0.15 0.00 -2.23 0.00 0.00 60.65 55.45 2i7k s ILE 44 Cb 0.12 -4.34 0.11 0.00 -1.58 0.00 0.00 42.46 36.77 2i7k s ILE 44 CO 0.50 -1.00 1.68 0.11 -1.23 0.00 0.00 174.94 175.00 2i7k h LYS 45 N 7.76 0.07 -3.15 2.79 1.57 -1.79 -3.33 116.57 120.51 2i7k h LYS 45 Ca 0.07 -0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.19 2i7k h LYS 45 Cb 1.03 -0.02 -0.39 0.00 0.08 0.00 0.00 32.23 32.93 2i7k h LYS 45 CO 0.77 0.05 -0.37 -2.39 -0.57 0.00 0.00 179.45 176.93 2i7k n HIS 46 N -5.25 3.66 -3.05 -1.35 1.44 -1.26 -4.92 115.22 104.49 2i7k n HIS 46 Ca 0.04 -4.23 -0.44 0.00 -2.01 0.00 0.00 57.72 51.07 2i7k n HIS 46 Cb 0.24 -0.83 -0.01 0.00 0.12 0.00 0.00 29.99 29.51 2i7k n HIS 46 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2i7k s PRO 47 N -1.49 4.00 -1.08 -1.40 0.04 -1.25 -4.67 135.00 129.16 2i7k s PRO 47 Ca 0.26 -2.56 -0.26 0.00 0.04 0.00 0.00 61.00 58.48 2i7k s PRO 47 Cb -0.05 -4.89 -0.19 0.00 0.04 0.00 0.00 34.50 29.41 2i7k s PRO 47 CO -0.15 -1.63 2.03 -1.33 0.04 0.00 0.00 177.00 175.97 2i7k n MET 48 N 5.09 0.63 -1.24 4.56 2.81 -1.26 -4.85 117.12 122.85 2i7k n MET 48 Ca 0.30 -1.94 -0.30 0.00 -1.81 0.00 0.00 57.70 53.95 2i7k n MET 48 Cb 0.43 -3.81 0.12 0.00 -0.71 0.00 0.00 33.22 29.26 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 7.72 3.93 0.43 7.83 1.11 -1.26 -4.46 116.67 131.98 2i7k s ASP 49 Ca 0.76 1.61 0.16 0.00 0.18 0.00 0.00 52.55 55.27 2i7k s ASP 49 Cb -0.02 -2.30 1.08 0.00 1.07 0.00 0.00 42.92 42.74 2i7k s ASP 49 CO 0.18 -2.37 1.93 -0.26 1.18 0.00 0.00 175.17 175.83 2i7k h PHE 50 N -1.36 0.45 -0.32 4.23 -1.00 -1.70 0.41 116.94 117.64 2i7k h PHE 50 Ca -0.47 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.18 2i7k h PHE 50 Cb 1.26 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 2i7k h PHE 50 CO 0.49 0.17 -0.35 0.77 -1.61 0.00 0.00 178.31 177.78 2i7k h SER 51 N 0.38 0.85 -0.38 2.17 0.02 -1.75 0.83 113.55 115.68 2i7k h SER 51 Ca 0.36 -0.48 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 2i7k h SER 51 Cb 0.85 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2i7k h SER 51 CO -0.11 1.16 -0.25 0.74 -1.14 0.00 0.00 176.83 177.23 2i7k h THR 52 N 0.56 1.28 -0.33 -2.27 2.02 -1.59 -2.54 112.91 110.05 2i7k h THR 52 Ca 0.05 -1.40 -0.09 0.00 0.77 0.00 0.00 66.41 65.73 2i7k h THR 52 Cb 0.93 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2i7k h THR 52 CO 0.08 0.47 -0.16 0.24 0.37 0.00 0.00 175.52 176.52 2i7k h MET 53 N 0.65 0.69 -0.56 6.66 2.07 -0.95 -2.49 114.93 120.99 2i7k h MET 53 Ca 0.08 -0.30 0.03 0.00 -2.07 0.00 0.00 59.70 57.43 2i7k h MET 53 Cb 0.82 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.49 2i7k h MET 53 CO 0.07 0.90 0.34 0.87 1.07 0.00 0.00 176.91 180.15 2i7k h LYS 54 N 0.46 0.64 -0.62 1.72 1.57 -0.81 0.12 116.57 119.65 2i7k h LYS 54 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2i7k h LYS 54 Cb 0.69 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2i7k h LYS 54 CO 0.05 0.43 0.19 1.49 -0.57 0.00 0.00 179.45 181.03 2i7k h GLU 55 N 0.66 0.94 -0.33 3.15 4.81 -1.44 -2.54 114.58 119.83 2i7k h GLU 55 Ca 0.23 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2i7k h GLU 55 Cb 0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2i7k h GLU 55 CO -0.10 0.81 -0.14 0.87 -0.73 0.00 0.00 179.01 179.72 2i7k h LYS 56 N 0.91 0.69 -0.99 1.92 1.57 -0.89 -3.12 116.57 116.67 2i7k h LYS 56 Ca 0.20 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2i7k h LYS 56 Cb 0.27 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 2i7k h LYS 56 CO -0.01 0.89 0.65 0.82 -0.57 0.00 0.00 179.45 181.22 2i7k h ILE 57 N 0.46 1.18 -0.01 1.86 2.04 -0.55 -0.12 117.51 122.36 2i7k h ILE 57 Ca 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2i7k h ILE 57 Cb 0.67 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2i7k h ILE 57 CO 0.05 0.23 0.03 0.11 0.00 0.00 0.00 178.15 178.56 2i7k h LYS 58 N 1.26 0.00 -0.50 2.37 1.57 -1.39 -0.50 116.57 119.38 2i7k h LYS 58 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2i7k h LYS 58 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2i7k h LYS 58 CO -0.12 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.85 2i7k n ASN 59 N -3.48 5.21 -1.05 0.86 3.02 -0.42 -4.91 115.26 114.48 2i7k n ASN 59 Ca -0.03 -2.93 -0.14 0.00 -0.03 0.00 0.00 54.58 51.46 2i7k n ASN 59 Cb 0.11 -0.64 -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 0.36 -4.75 0.14 6.41 2.85 -0.19 -4.86 115.26 115.21 2i7k n ASN 60 Ca 0.26 0.34 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 2i7k n ASN 60 Cb 1.10 -3.46 0.18 0.00 1.24 0.00 0.00 39.78 38.84 2i7k n ASN 60 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2i7k h ASP 61 N 0.00 0.00 -3.68 1.20 3.32 -1.23 -3.39 116.42 112.65 2i7k h ASP 61 Ca -0.28 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.10 2i7k h ASP 61 Cb 0.93 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.10 2i7k h ASP 61 CO 0.41 0.59 -0.69 -0.31 -1.72 0.00 0.00 179.24 177.52 2i7k s TYR 62 N -3.49 3.59 0.00 4.55 2.02 -1.25 -4.85 117.35 117.92 2i7k s TYR 62 Ca -0.00 -2.63 0.00 0.00 -0.37 0.00 0.00 57.07 54.06 2i7k s TYR 62 Cb 0.12 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 2i7k s TYR 62 CO 0.75 -0.93 0.77 0.94 -1.57 0.00 0.00 175.55 175.51 2i7k n GLN 63 N 4.40 0.00 -4.07 -0.62 7.27 -1.26 -4.72 117.38 118.38 2i7k n GLN 63 Ca -0.02 -0.62 -0.15 0.00 0.07 0.00 0.00 57.00 56.28 2i7k n GLN 63 Cb 0.42 -0.33 -0.14 0.00 2.41 0.00 0.00 30.24 32.60 2i7k n GLN 63 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2i7k s SER 64 N -0.59 0.43 0.39 1.69 0.15 -1.26 -5.02 113.70 109.49 2i7k s SER 64 Ca 0.00 -0.07 0.12 0.00 0.70 0.00 0.00 55.95 56.70 2i7k s SER 64 Cb 0.00 -0.05 0.92 0.00 -1.71 0.00 0.00 66.02 65.18 2i7k s SER 64 CO 0.00 0.04 1.89 0.16 1.20 0.00 0.00 173.24 176.53 2i7k h ILE 65 N 5.08 0.82 -0.27 6.45 3.07 -1.99 -0.33 117.51 130.34 2i7k h ILE 65 Ca -0.27 -0.20 -0.11 0.00 1.55 0.00 0.00 64.86 65.84 2i7k h ILE 65 Cb 1.20 0.19 -0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2i7k h ILE 65 CO 0.50 0.10 -0.25 -0.08 -1.05 0.00 0.00 178.15 177.38 2i7k h GLU 66 N 0.57 0.65 -0.15 0.16 4.57 -1.97 -0.55 114.58 117.86 2i7k h GLU 66 Ca 0.41 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2i7k h GLU 66 Cb 0.77 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2i7k h GLU 66 CO -0.17 0.94 0.06 0.93 -1.18 0.00 0.00 179.01 179.59 2i7k h GLU 67 N 0.38 0.23 -0.23 1.92 4.39 -1.62 0.33 114.58 119.98 2i7k h GLU 67 Ca 0.05 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2i7k h GLU 67 Cb 0.81 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2i7k h GLU 67 CO 0.06 0.32 0.02 -0.07 -1.16 0.00 0.00 179.01 178.18 2i7k h LEU 68 N 0.09 0.38 -0.19 1.33 -0.00 -1.15 -2.11 115.31 113.66 2i7k h LEU 68 Ca 0.05 -0.29 -0.05 0.00 -0.00 0.00 0.00 57.88 57.60 2i7k h LEU 68 Cb 0.17 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2i7k h LEU 68 CO -0.00 0.57 -0.06 0.50 -0.00 0.00 0.00 178.44 179.44 2i7k h LYS 69 N 0.17 0.37 -0.29 1.13 3.64 -1.06 -0.26 116.57 120.28 2i7k h LYS 69 Ca 0.07 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2i7k h LYS 69 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2i7k h LYS 69 CO 0.01 0.65 0.15 -0.44 -2.27 0.00 0.00 179.45 177.54 2i7k h ASP 70 N 0.07 0.38 -0.04 4.20 5.19 -0.37 0.24 116.42 126.10 2i7k h ASP 70 Ca 0.04 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.21 2i7k h ASP 70 Cb 0.53 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 39.95 2i7k h ASP 70 CO 0.02 0.39 -0.49 0.78 -3.12 0.00 0.00 179.24 176.82 2i7k h ASN 71 N 0.34 0.49 -0.69 6.45 -0.26 -1.45 -2.10 115.58 118.37 2i7k h ASN 71 Ca 0.10 -0.72 0.02 0.00 -0.56 0.00 0.00 56.30 55.15 2i7k h ASN 71 Cb 0.11 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 2i7k h ASN 71 CO -0.01 1.13 0.44 0.15 -1.06 0.00 0.00 177.43 178.08 2i7k h PHE 72 N -0.11 0.82 -0.38 1.19 3.57 -1.05 -1.80 116.94 119.18 2i7k h PHE 72 Ca -0.05 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 2i7k h PHE 72 Cb 1.18 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2i7k h PHE 72 CO 0.14 0.48 -0.07 0.87 -2.23 0.00 0.00 178.31 177.50 2i7k h LYS 73 N 0.87 0.64 -0.31 1.11 1.57 -0.99 -2.28 116.57 117.17 2i7k h LYS 73 Ca 0.27 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2i7k h LYS 73 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2i7k h LYS 73 CO -0.09 0.71 0.21 -0.07 -0.57 0.00 0.00 179.45 179.63 2i7k h LEU 74 N 0.59 0.36 -0.51 2.94 3.38 -0.61 0.19 115.31 121.66 2i7k h LEU 74 Ca 0.11 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2i7k h LEU 74 Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2i7k h LEU 74 CO 0.03 0.26 -0.12 -0.03 0.09 0.00 0.00 178.44 178.66 2i7k h MET 75 N 0.43 0.98 -0.09 1.13 4.05 -1.35 0.38 114.93 120.45 2i7k h MET 75 Ca 0.12 -0.38 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2i7k h MET 75 Cb -0.05 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2i7k h MET 75 CO -0.02 1.05 0.04 0.00 0.23 0.00 0.00 176.91 178.21 2i7k h THR 77 N 0.02 1.28 -0.48 0.00 2.02 -0.59 -2.16 112.91 113.00 2i7k h THR 77 Ca 0.03 -1.67 -0.11 0.00 0.77 0.00 0.00 66.41 65.43 2i7k h THR 77 Cb 0.11 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2i7k h THR 77 CO -0.00 0.55 -0.15 0.78 0.37 0.00 0.00 175.52 177.06 2i7k h ASN 78 N 0.66 0.91 -0.32 4.18 2.35 -0.14 0.91 115.58 124.13 2i7k h ASN 78 Ca 0.03 -0.31 -0.11 0.00 -0.55 0.00 0.00 56.30 55.36 2i7k h ASN 78 Cb 1.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 2i7k h ASN 78 CO 0.11 1.06 -0.21 0.00 -1.65 0.00 0.00 177.43 176.74 2i7k h ALA 79 N 1.02 0.46 -0.12 -0.83 0.00 -0.05 -2.62 119.26 117.12 2i7k h ALA 79 Ca 0.12 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 2i7k h ALA 79 Cb 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2i7k h ALA 79 CO 0.05 0.41 -0.77 0.00 0.00 0.00 0.00 179.25 178.94 2i7k h MET 80 N 0.47 0.63 -0.26 0.00 -0.00 -1.33 -1.54 114.93 112.90 2i7k h MET 80 Ca 0.06 -0.52 -0.01 0.00 -0.00 0.00 0.00 59.70 59.24 2i7k h MET 80 Cb 0.76 0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.46 2i7k h MET 80 CO 0.06 1.14 0.13 0.97 -0.00 0.00 0.00 176.91 179.21 2i7k h ILE 81 N 0.42 1.13 -0.32 -0.10 6.09 -0.83 -3.00 117.51 120.91 2i7k h ILE 81 Ca -0.05 -0.37 -0.15 0.00 -1.37 0.00 0.00 64.86 62.93 2i7k h ILE 81 Cb 1.38 0.90 -0.00 0.00 0.47 0.00 0.00 36.82 39.57 2i7k h ILE 81 CO 0.15 0.13 -0.37 0.22 -3.07 0.00 0.00 178.15 175.21 2i7k h TYR 82 N 0.30 0.99 -3.23 2.19 3.20 -1.53 -3.37 116.97 115.52 2i7k h TYR 82 Ca 0.09 -0.31 -0.75 0.00 3.14 0.00 0.00 58.73 60.90 2i7k h TYR 82 Cb 0.09 -0.20 -0.23 0.00 1.54 0.00 0.00 36.73 37.93 2i7k h TYR 82 CO -0.03 1.10 0.41 -0.80 -1.64 0.00 0.00 178.16 177.21 2i7k s ASN 83 N -6.73 6.72 1.14 -2.11 0.01 -0.58 -5.05 114.94 108.35 2i7k s ASN 83 Ca -0.12 -2.44 -0.12 0.00 -0.71 0.00 0.00 52.86 49.47 2i7k s ASN 83 Cb 0.10 -2.29 0.27 0.00 0.41 0.00 0.00 41.25 39.74 2i7k s ASN 83 CO 0.86 -0.77 1.04 -0.54 -1.51 0.00 0.00 177.10 176.18 2i7k s LYS 84 N 1.18 -0.72 -0.49 -0.60 1.02 -1.24 -4.13 119.74 114.75 2i7k s LYS 84 Ca 0.24 0.95 -0.28 0.00 0.02 0.00 0.00 55.97 56.90 2i7k s LYS 84 Cb -0.08 -1.57 -0.29 0.00 -0.52 0.00 0.00 37.83 35.37 2i7k s LYS 84 CO -0.09 -3.62 1.81 -2.30 -0.92 0.00 0.00 175.35 170.22 2i7k n PRO 85 N -4.86 0.31 -0.04 -1.68 -0.02 -1.26 -4.33 135.00 123.12 2i7k n PRO 85 Ca 0.04 -1.41 -0.01 0.00 -2.02 0.00 0.00 63.50 60.11 2i7k n PRO 85 Cb 0.54 -3.06 -0.00 0.00 -0.02 0.00 0.00 33.50 30.95 2i7k n PRO 85 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2i7k h GLU 86 N 10.24 0.00 0.00 -0.52 4.57 -1.98 -3.50 114.58 123.40 2i7k h GLU 86 Ca 0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2i7k h GLU 86 Cb 0.80 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2i7k h GLU 86 CO 1.67 0.00 0.00 0.25 -1.18 0.00 0.00 179.01 179.75 2i7k n THR 87 N -3.77 0.00 -0.48 0.32 -2.24 -1.26 -5.01 114.28 101.84 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 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.84 0.24 -0.04 2.28 -0.00 -1.26 -4.76 119.36 114.98 2i7k n ILE 88 Ca 0.00 -0.38 -0.14 0.00 -0.00 0.00 0.00 62.75 62.23 2i7k n ILE 88 Cb 0.00 1.13 -0.09 0.00 -0.00 0.00 0.00 39.64 40.68 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 0.34 -0.43 4.28 -1.99 -1.93 -0.56 116.97 116.69 2i7k h TYR 89 Ca 0.00 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.55 2i7k h TYR 89 Cb 0.47 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.12 2i7k h TYR 89 CO 0.00 0.80 0.08 -0.92 -0.00 0.00 0.00 178.16 178.12 2i7k h TYR 90 N -0.21 0.74 -0.57 4.88 3.20 -1.76 -2.50 116.97 120.75 2i7k h TYR 90 Ca -0.00 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 2i7k h TYR 90 Cb 0.79 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2i7k h TYR 90 CO 0.12 0.70 0.02 0.87 -1.64 0.00 0.00 178.16 178.23 2i7k h LYS 91 N 0.56 0.98 -0.36 1.82 1.79 -1.86 -1.61 116.57 117.88 2i7k h LYS 91 Ca 0.13 -0.29 0.02 0.00 -2.18 0.00 0.00 60.65 58.34 2i7k h LYS 91 Cb 0.35 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 2i7k h LYS 91 CO 0.01 0.95 0.20 0.00 -1.08 0.00 0.00 179.45 179.52 2i7k h ALA 92 N 1.11 0.45 -0.52 3.86 0.00 -0.92 0.23 119.26 123.47 2i7k h ALA 92 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2i7k h ALA 92 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2i7k h ALA 92 CO 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 179.25 179.01 2i7k h ALA 93 N 1.18 0.71 -0.18 0.00 0.00 -1.32 -1.96 119.26 117.69 2i7k h ALA 93 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2i7k h ALA 93 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2i7k h ALA 93 CO -0.09 0.62 0.00 -0.22 0.00 0.00 0.00 179.25 179.56 2i7k h LYS 94 N 0.85 0.31 -0.42 0.00 1.63 -0.95 -1.31 116.57 116.69 2i7k h LYS 94 Ca 0.13 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2i7k h LYS 94 Cb 0.66 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 2i7k h LYS 94 CO 0.05 0.52 0.26 -0.22 -3.45 0.00 0.00 179.45 176.61 2i7k h LYS 95 N 0.07 0.56 -0.42 1.90 1.63 -0.55 -2.26 116.57 117.50 2i7k h LYS 95 Ca 0.05 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2i7k h LYS 95 Cb 0.38 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2i7k h LYS 95 CO 0.01 0.40 0.11 1.25 -3.45 0.00 0.00 179.45 177.77 2i7k h LEU 96 N 0.56 0.56 -0.45 5.20 5.85 -1.32 -2.41 115.31 123.30 2i7k h LEU 96 Ca 0.15 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2i7k h LEU 96 Cb -0.02 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2i7k h LEU 96 CO -0.03 0.56 0.30 0.25 -0.34 0.00 0.00 178.44 179.17 2i7k h LEU 97 N 0.60 0.51 -0.94 2.25 6.46 -0.67 -0.11 115.31 123.41 2i7k h LEU 97 Ca 0.14 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2i7k h LEU 97 Cb 0.21 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 2i7k h LEU 97 CO -0.01 0.37 0.44 -0.74 -0.62 0.00 0.00 178.44 177.88 2i7k h HIS 98 N 0.60 1.18 -0.35 1.25 2.76 -1.05 -2.39 115.15 117.15 2i7k h HIS 98 Ca 0.17 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2i7k h HIS 98 Cb -0.06 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.51 2i7k h HIS 98 CO -0.05 0.83 0.16 0.77 -1.30 0.00 0.00 177.93 178.34 2i7k h SER 99 N 1.19 0.46 -0.79 3.26 0.02 -0.93 -1.89 113.55 114.89 2i7k h SER 99 Ca 0.30 -0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2i7k h SER 99 Cb 0.06 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 2i7k h SER 99 CO -0.04 0.47 0.52 1.23 -1.14 0.00 0.00 176.83 177.86 2i7k h GLY 100 N 0.43 1.06 0.65 -3.77 0.00 -0.62 0.80 103.07 101.61 2i7k h GLY 100 Ca 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2i7k h GLY 100 CO -0.01 0.21 -0.12 -0.33 0.00 0.00 0.00 176.54 176.28 2i7k h MET 101 N 0.78 0.24 -0.21 4.80 2.86 -1.11 -1.95 114.93 120.33 2i7k h MET 101 Ca 0.35 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2i7k h MET 101 Cb 0.36 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2i7k h MET 101 CO -0.13 0.69 0.13 -0.22 1.06 0.00 0.00 176.91 178.44 2i7k h LYS 102 N -0.20 0.29 -0.69 1.72 3.11 -0.81 -2.73 116.57 117.26 2i7k h LYS 102 Ca 0.01 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.78 2i7k h LYS 102 Cb 0.66 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 2i7k h LYS 102 CO 0.03 0.24 0.27 -0.84 -2.81 0.00 0.00 179.45 176.34 2i7k h ILE 103 N 0.26 1.24 0.00 2.00 -0.00 -0.92 -2.03 117.51 118.05 2i7k h ILE 103 Ca 0.08 -0.75 -0.01 0.00 -0.00 0.00 0.00 64.86 64.18 2i7k h ILE 103 Cb 0.03 0.42 -0.00 0.00 -0.00 0.00 0.00 36.82 37.27 2i7k h ILE 103 CO -0.01 0.30 -0.03 -0.07 -0.00 0.00 0.00 178.15 178.34 2i7k h LEU 104 N 0.99 0.00 -2.10 0.16 3.38 -1.08 -0.91 115.31 115.76 2i7k h LEU 104 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2i7k h LEU 104 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2i7k h LEU 104 CO -0.02 0.03 0.00 -0.24 0.09 0.00 0.00 178.44 178.30 2i7k n SER 105 N -3.77 3.10 -0.10 -0.43 2.88 -0.76 -3.91 113.62 110.62 2i7k n SER 105 Ca -0.03 -2.37 -0.12 0.00 -1.33 0.00 0.00 58.87 55.02 2i7k n SER 105 Cb 0.12 -0.52 -0.13 0.00 -0.75 0.00 0.00 64.21 62.93 2i7k n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i7k n GLN 106 N 0.37 0.82 -0.17 -1.46 6.02 -0.35 -3.11 117.38 119.50 2i7k n GLN 106 Ca 0.14 0.06 0.11 0.00 -0.01 0.00 0.00 57.00 57.29 2i7k n GLN 106 Cb 0.64 -1.47 0.42 0.00 1.02 0.00 0.00 30.24 30.86 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 0.00 0.57 0.00 -1.09 4.22 -1.69 -3.38 114.58 113.21 2i7k h GLU 107 Ca -0.51 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.90 2i7k h GLU 107 Cb 1.97 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2i7k h GLU 107 CO -0.03 0.38 0.00 0.54 -2.18 0.00 0.00 179.01 177.72 2i7k n ARG 108 N -4.49 0.00 0.00 1.92 1.74 -1.26 -4.99 116.66 109.58 2i7k n ARG 108 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2i7k n ARG 108 Cb 0.37 -0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 2i7k n ARG 108 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2i7k n LEU 109 N -2.15 0.00 0.00 0.55 7.94 -1.18 -4.71 117.00 117.45 2i7k n LEU 109 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 2i7k n LEU 109 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 2i7k n LEU 109 CO 0.00 0.00 -0.20 -0.62 -1.11 0.00 0.00 177.39 175.46 2i7k n GLU 110 N 0.00 0.64 -1.97 1.96 -0.58 -1.26 -5.09 120.64 114.34 2i7k n GLU 110 Ca 0.00 -3.67 -0.29 0.00 -0.42 0.00 0.00 57.16 52.78 2i7k n GLU 110 Cb 0.00 1.53 0.17 0.00 -0.57 0.00 0.00 31.44 32.57 2i7k n GLU 110 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2i7k s HIS 111 N -3.02 1.75 -0.14 -0.32 3.76 -1.26 -5.08 115.29 110.97 2i7k s HIS 111 Ca 0.12 0.32 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2i7k s HIS 111 Cb 0.01 -3.98 0.01 0.00 1.11 0.00 0.00 32.58 29.73 2i7k s HIS 111 CO 0.08 -2.49 -0.19 -1.01 -0.85 0.00 0.00 174.74 170.29 2i7k s HIS 112 N -3.81 2.41 0.34 1.40 3.76 -1.26 -5.04 115.29 113.10 2i7k s HIS 112 Ca 0.72 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2i7k s HIS 112 Cb -0.05 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 31.96 2i7k s HIS 112 CO 0.52 -0.62 0.00 0.72 -0.85 0.00 0.00 174.74 174.51 2i7k n HIS 113 N 4.31 -2.60 0.08 1.40 8.25 -1.26 -5.08 115.22 120.32 2i7k n HIS 113 Ca -0.19 1.40 0.00 0.00 -0.26 0.00 0.00 57.72 58.67 2i7k n HIS 113 Cb 0.51 -2.41 0.00 0.00 1.12 0.00 0.00 29.99 29.21 2i7k n HIS 113 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2i7k n HIS 114 N -1.75 -2.85 -0.03 4.41 -0.00 -1.26 -5.04 115.22 108.70 2i7k n HIS 114 Ca 0.00 0.57 -0.01 0.00 -0.00 0.00 0.00 57.72 58.28 2i7k n HIS 114 Cb 0.19 1.66 -0.00 0.00 -0.00 0.00 0.00 29.99 31.84 2i7k n HIS 114 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2i7k h HIS 115 N 0.00 0.00 0.00 1.57 2.76 -2.05 -3.57 115.15 113.86 2i7k h HIS 115 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2i7k h HIS 115 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2i7k h HIS 115 CO 0.00 0.00 0.00 -2.39 -1.30 0.00 0.00 177.93 174.24