#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 0.10 0.48 0.03 8.01 -1.26 -4.84 118.70 121.22 2i7k s GLU 1 Ca 0.00 0.09 0.19 0.00 0.01 0.00 0.00 54.97 55.27 2i7k s GLU 1 Cb 0.00 -1.74 1.22 0.00 -4.31 0.00 0.00 34.13 29.30 2i7k s GLU 1 CO 0.00 -2.86 1.99 1.49 0.01 0.00 0.00 175.26 175.89 2i7k h GLU 2 N -1.97 0.19 -0.11 1.61 4.81 -2.07 0.50 114.58 117.53 2i7k h GLU 2 Ca -0.48 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2i7k h GLU 2 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2i7k h GLU 2 CO 0.48 0.13 -0.12 0.28 -0.73 0.00 0.00 179.01 179.05 2i7k h VAL 3 N 0.20 1.15 -1.44 0.32 2.07 -2.08 -2.95 116.25 113.52 2i7k h VAL 3 Ca 0.26 -0.65 -0.61 0.00 0.82 0.00 0.00 66.70 66.52 2i7k h VAL 3 Cb 0.75 1.20 -0.22 0.00 -1.52 0.00 0.00 31.29 31.50 2i7k h VAL 3 CO -0.04 0.20 0.69 -0.62 0.02 0.00 0.00 177.57 177.81 2i7k n GLU 4 N -4.32 2.54 -0.03 1.57 -0.58 0.17 -4.43 120.64 115.56 2i7k n GLU 4 Ca -0.01 -2.84 -0.13 0.00 -0.42 0.00 0.00 57.16 53.76 2i7k n GLU 4 Cb 0.24 -2.19 -0.14 0.00 -0.57 0.00 0.00 31.44 28.78 2i7k n GLU 4 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i7k n GLN 5 N 0.23 0.68 0.02 3.49 6.02 -1.11 -4.29 117.38 122.41 2i7k n GLN 5 Ca 0.51 0.25 -0.10 0.00 -0.01 0.00 0.00 57.00 57.64 2i7k n GLN 5 Cb 0.42 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 2i7k n GLN 5 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2i7k h THR 6 N 0.02 0.79 -1.00 5.09 2.02 -1.86 -2.50 112.91 115.47 2i7k h THR 6 Ca -0.38 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.00 2i7k h THR 6 Cb 2.04 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 69.13 2i7k h THR 6 CO 0.07 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 175.92 2i7k h PRO 7 N -0.09 0.70 -0.49 6.66 0.11 -1.92 -0.21 132.00 136.76 2i7k h PRO 7 Ca 0.06 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 2i7k h PRO 7 Cb 0.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2i7k h PRO 7 CO -0.13 0.46 0.06 -0.07 -0.21 0.00 0.00 178.00 178.11 2i7k h LEU 8 N 0.72 0.80 -0.90 2.35 3.38 -1.64 -2.66 115.31 117.35 2i7k h LEU 8 Ca 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 2i7k h LEU 8 Cb 0.96 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2i7k h LEU 8 CO -0.37 0.87 0.43 -0.61 0.09 0.00 0.00 178.44 178.85 2i7k h GLN 9 N 0.70 1.21 -0.45 1.13 4.15 -0.67 -2.36 115.11 118.82 2i7k h GLN 9 Ca 0.15 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 2i7k h GLN 9 Cb 0.43 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2i7k h GLN 9 CO 0.01 0.91 0.28 0.93 -1.93 0.00 0.00 178.83 179.04 2i7k h GLU 10 N 1.21 0.60 -0.85 1.69 5.08 -1.10 -0.06 114.58 121.14 2i7k h GLU 10 Ca 0.30 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2i7k h GLU 10 Cb 0.09 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2i7k h GLU 10 CO -0.04 0.43 0.57 0.00 -1.00 0.00 0.00 179.01 178.96 2i7k h ALA 11 N 1.14 1.08 -0.28 3.43 0.00 -1.20 -0.49 119.26 122.95 2i7k h ALA 11 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2i7k h ALA 11 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2i7k h ALA 11 CO -0.03 0.48 -0.03 -0.07 0.00 0.00 0.00 179.25 179.60 2i7k h LEU 12 N 1.15 0.51 -1.16 0.00 3.38 -1.04 -2.38 115.31 115.78 2i7k h LEU 12 Ca 0.31 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2i7k h LEU 12 Cb -0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2i7k h LEU 12 CO -0.07 0.73 0.34 0.78 0.09 0.00 0.00 178.44 180.31 2i7k h ASN 13 N 0.29 0.83 -0.35 -0.43 2.35 -0.69 -2.18 115.58 115.41 2i7k h ASN 13 Ca 0.08 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2i7k h ASN 13 Cb 0.48 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2i7k h ASN 13 CO 0.02 0.69 0.09 -0.61 -1.65 0.00 0.00 177.43 175.97 2i7k h GLN 14 N 0.93 0.56 -0.76 0.81 5.75 -0.96 -1.46 115.11 119.97 2i7k h GLN 14 Ca 0.23 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 2i7k h GLN 14 Cb 0.06 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2i7k h GLN 14 CO -0.03 0.60 0.48 1.25 -2.65 0.00 0.00 178.83 178.48 2i7k h LEU 15 N 0.42 0.80 -0.35 -2.39 6.46 -1.07 -0.88 115.31 118.29 2i7k h LEU 15 Ca 0.11 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2i7k h LEU 15 Cb 0.29 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2i7k h LEU 15 CO -0.00 0.56 0.13 -0.03 -0.62 0.00 0.00 178.44 178.47 2i7k h MET 16 N 0.95 0.53 -0.38 1.25 4.05 -1.19 -0.30 114.93 119.83 2i7k h MET 16 Ca 0.30 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2i7k h MET 16 Cb 0.00 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 2i7k h MET 16 CO -0.11 0.53 0.23 0.00 0.23 0.00 0.00 176.91 177.79 2i7k h ARG 17 N 0.42 0.52 -0.67 0.39 3.08 -0.86 0.21 114.38 117.46 2i7k h ARG 17 Ca 0.12 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2i7k h ARG 17 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2i7k h ARG 17 CO -0.01 0.39 0.12 1.96 -1.07 0.00 0.00 179.97 181.37 2i7k h GLN 18 N 0.50 1.10 -0.39 0.04 4.20 -1.07 -0.97 115.11 118.53 2i7k h GLN 18 Ca 0.14 -0.28 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 2i7k h GLN 18 Cb 0.01 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2i7k h GLN 18 CO -0.03 1.00 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.83 2i7k h LEU 19 N 1.03 0.88 -0.81 1.46 3.38 -0.75 -2.91 115.31 117.60 2i7k h LEU 19 Ca 0.21 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2i7k h LEU 19 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2i7k h LEU 19 CO 0.01 1.11 -0.14 -0.61 0.09 0.00 0.00 178.44 178.90 2i7k h GLN 20 N 0.65 0.75 0.00 1.13 4.15 -0.43 -2.60 115.11 118.75 2i7k h GLN 20 Ca 0.08 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2i7k h GLN 20 Cb 0.80 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.43 2i7k h GLN 20 CO 0.07 0.85 0.00 0.00 -1.93 0.00 0.00 178.83 177.82 2i7k h ARG 21 N 0.67 0.00 0.00 1.69 2.47 -1.11 -3.34 114.38 114.76 2i7k h ARG 21 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2i7k h ARG 21 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2i7k h ARG 21 CO 0.04 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.20 2i7k n LYS 22 N -2.53 0.00 0.00 0.04 4.76 -0.98 -4.98 118.16 114.47 2i7k n LYS 22 Ca 0.01 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 2i7k n LYS 22 Cb 0.25 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.77 0.00 0.23 4.39 9.92 -1.25 -4.97 116.55 123.09 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 0.62 0.00 -0.64 0.00 0.00 41.12 41.10 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 0.05 -0.04 -0.24 0.11 -1.88 -1.87 132.00 128.14 2i7k h PRO 24 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2i7k h PRO 24 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 2i7k h PRO 24 CO 0.00 0.04 0.03 1.03 -0.21 0.00 0.00 178.00 178.89 2i7k h SER 25 N 0.06 0.00 -0.75 -2.05 0.87 -1.81 -2.15 113.55 107.71 2i7k h SER 25 Ca 0.02 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.80 2i7k h SER 25 Cb 0.02 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2i7k h SER 25 CO -0.00 0.00 0.60 0.00 -0.53 0.00 0.00 176.83 176.90 2i7k h ALA 26 N 1.97 2.63 0.09 6.23 0.00 -1.57 0.68 119.26 129.29 2i7k h ALA 26 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2i7k h ALA 26 Cb 0.08 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2i7k h ALA 26 CO -0.00 -0.99 -0.67 0.74 0.00 0.00 0.00 179.25 178.33 2i7k h PHE 27 N 0.00 0.36 -0.84 0.00 0.04 -1.60 -3.35 116.94 111.55 2i7k h PHE 27 Ca 0.36 -0.26 -0.52 0.00 2.80 0.00 0.00 57.97 60.35 2i7k h PHE 27 Cb 1.56 -0.01 -0.28 0.00 2.20 0.00 0.00 35.95 39.42 2i7k h PHE 27 CO 0.00 1.26 0.40 1.19 -0.60 0.00 0.00 178.31 180.56 2i7k n PHE 28 N -4.25 2.70 0.77 -0.55 3.72 -0.54 -4.49 117.46 114.82 2i7k n PHE 28 Ca -0.15 -2.30 0.12 0.00 -0.05 0.00 0.00 57.45 55.08 2i7k n PHE 28 Cb 0.73 -0.97 0.26 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.00 0.56 -4.36 4.37 2.88 0.23 -1.97 113.62 114.32 2i7k n SER 29 Ca 0.54 0.06 -0.19 0.00 -1.33 0.00 0.00 58.87 57.94 2i7k n SER 29 Cb 1.08 0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 64.51 2i7k n SER 29 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2i7k s PHE 30 N -3.09 1.77 -0.12 0.66 -0.71 -1.26 -2.24 117.98 112.99 2i7k s PHE 30 Ca 0.09 -0.59 -0.29 0.00 -1.04 0.00 0.00 56.93 55.10 2i7k s PHE 30 Cb 0.15 -0.86 -0.05 0.00 -1.21 0.00 0.00 43.02 41.05 2i7k s PHE 30 CO 0.69 0.35 1.86 -1.25 -1.34 0.00 0.00 175.22 175.52 2i7k s PRO 31 N -3.66 3.81 0.88 1.99 0.04 -1.26 -4.71 135.00 132.09 2i7k s PRO 31 Ca 0.24 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 2i7k s PRO 31 Cb -0.00 -4.14 0.13 0.00 0.04 0.00 0.00 34.50 30.53 2i7k s PRO 31 CO 0.08 -1.30 1.17 0.14 0.04 0.00 0.00 177.00 177.13 2i7k s VAL 32 N 5.47 2.03 0.00 -0.36 -7.23 -1.26 -4.98 120.40 114.06 2i7k s VAL 32 Ca 0.83 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 2i7k s VAL 32 Cb -0.33 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2i7k s VAL 32 CO 0.34 -0.01 0.00 0.41 -0.31 0.00 0.00 175.10 175.53 2i7k n THR 33 N -3.95 0.00 0.74 5.32 -1.04 -1.26 -4.91 114.28 109.18 2i7k n THR 33 Ca 0.12 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.22 2i7k n THR 33 Cb 0.52 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 69.44 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 -1.25 0.00 0.00 8.00 -0.08 -1.26 -2.29 116.55 119.66 2i7k n ASP 34 Ca 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2i7k n ASP 34 Cb 0.00 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.10 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 -1.36 0.00 0.07 -0.67 -0.00 -1.26 -4.74 117.46 109.50 2i7k n PHE 35 Ca 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.56 2i7k n PHE 35 Cb 0.16 0.04 0.46 0.00 -0.00 0.00 0.00 39.48 40.14 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 1.09 -2.16 -2.13 2.04 -1.94 -3.43 117.51 110.99 2i7k h ILE 36 Ca 0.00 -0.23 -0.59 0.00 1.00 0.00 0.00 64.86 65.04 2i7k h ILE 36 Cb 0.79 0.70 -0.12 0.00 -0.74 0.00 0.00 36.82 37.44 2i7k h ILE 36 CO 0.00 0.10 -0.71 0.00 0.00 0.00 0.00 178.15 177.54 2i7k s ALA 37 N -5.31 2.92 -2.00 1.87 0.00 -0.97 -4.78 121.76 113.49 2i7k s ALA 37 Ca -0.07 -1.84 0.17 0.00 0.00 0.00 0.00 51.96 50.22 2i7k s ALA 37 Cb 0.17 -0.39 1.04 0.00 0.00 0.00 0.00 23.12 23.94 2i7k s ALA 37 CO 0.72 0.24 1.49 -0.35 0.00 0.00 0.00 175.76 177.86 2i7k n PRO 38 N -0.74 0.72 0.00 0.00 -0.04 -1.26 -4.58 135.00 129.10 2i7k n PRO 38 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2i7k n PRO 38 Cb 0.60 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.38 0.31 0.16 0.55 0.00 -1.26 -5.04 105.19 100.29 2i7k n GLY 39 Ca 0.13 0.00 -0.07 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 -0.22 -0.10 1.61 -1.99 -1.81 -0.67 116.97 113.79 2i7k h TYR 40 Ca 0.00 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 2i7k h TYR 40 Cb 0.00 0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 2i7k h TYR 40 CO 0.00 -0.16 -0.26 0.66 -0.00 0.00 0.00 178.16 178.40 2i7k h SER 41 N -0.03 0.18 1.52 3.88 4.64 -1.85 0.81 113.55 122.69 2i7k h SER 41 Ca 0.15 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2i7k h SER 41 Cb 0.26 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2i7k h SER 41 CO -0.33 0.44 0.00 0.24 -0.87 0.00 0.00 176.83 176.31 2i7k h MET 42 N 0.16 0.00 0.00 4.77 2.86 -1.67 -3.36 114.93 117.69 2i7k h MET 42 Ca 0.03 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2i7k h MET 42 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2i7k h MET 42 CO 0.04 0.00 -1.17 1.51 1.06 0.00 0.00 176.91 178.35 2i7k n ILE 43 N -2.83 0.17 -3.77 -1.22 0.13 -0.37 -4.99 119.36 106.49 2i7k n ILE 43 Ca 0.03 -0.10 -0.27 0.00 -1.10 0.00 0.00 62.75 61.32 2i7k n ILE 43 Cb 0.42 -0.87 -0.17 0.00 -0.84 0.00 0.00 39.64 38.19 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 2i7k s ILE 44 N -2.06 0.59 0.10 9.51 1.10 0.28 -5.05 121.20 125.66 2i7k s ILE 44 Ca -0.02 -0.40 -0.33 0.00 -0.51 0.00 0.00 60.65 59.40 2i7k s ILE 44 Cb 0.01 -0.95 -0.14 0.00 0.15 0.00 0.00 42.46 41.53 2i7k s ILE 44 CO 0.10 -0.03 1.59 0.11 -2.11 0.00 0.00 174.94 174.59 2i7k h LYS 45 N 8.24 -0.79 -3.41 3.50 1.57 -1.75 -3.31 116.57 120.61 2i7k h LYS 45 Ca -0.18 0.05 -0.69 0.00 -1.87 0.00 0.00 60.65 57.96 2i7k h LYS 45 Cb 1.12 0.18 -0.36 0.00 0.08 0.00 0.00 32.23 33.25 2i7k h LYS 45 CO 0.33 -0.53 -0.30 -1.01 -0.57 0.00 0.00 179.45 177.37 2i7k s HIS 46 N -5.94 3.59 0.09 -1.35 3.76 -1.26 -4.88 115.29 109.30 2i7k s HIS 46 Ca -0.17 -2.92 -0.07 0.00 -0.15 0.00 0.00 55.06 51.75 2i7k s HIS 46 Cb 0.06 -3.15 -0.21 0.00 1.11 0.00 0.00 32.58 30.39 2i7k s HIS 46 CO 0.62 -0.77 1.19 -1.00 -0.85 0.00 0.00 174.74 173.94 2i7k h PRO 47 N 6.45 0.40 -5.77 8.40 0.13 -1.91 -3.45 132.00 136.25 2i7k h PRO 47 Ca 0.06 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2i7k h PRO 47 Cb 0.88 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2i7k h PRO 47 CO 0.76 1.22 -0.97 -0.12 -0.23 0.00 0.00 178.00 178.65 2i7k n MET 48 N -3.67 -1.93 -1.71 0.86 1.56 -1.26 -2.98 117.12 107.98 2i7k n MET 48 Ca -0.09 1.80 -0.29 0.00 -0.27 0.00 0.00 57.70 58.85 2i7k n MET 48 Cb 0.95 -3.06 0.16 0.00 2.15 0.00 0.00 33.22 33.43 2i7k n MET 48 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2i7k s ASP 49 N -1.19 3.13 0.27 6.12 1.11 -1.26 -4.49 116.67 120.37 2i7k s ASP 49 Ca -0.02 0.57 -0.00 0.00 0.18 0.00 0.00 52.55 53.28 2i7k s ASP 49 Cb 0.00 -0.85 0.49 0.00 1.07 0.00 0.00 42.92 43.64 2i7k s ASP 49 CO 0.38 -2.75 1.85 -0.26 1.18 0.00 0.00 175.17 175.57 2i7k h PHE 50 N -1.64 1.15 -0.59 4.23 -1.00 -1.63 -1.24 116.94 116.22 2i7k h PHE 50 Ca -0.46 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.30 2i7k h PHE 50 Cb 1.28 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 2i7k h PHE 50 CO -0.71 0.51 0.17 1.03 -1.61 0.00 0.00 178.31 177.70 2i7k h SER 51 N 1.05 0.84 0.07 2.17 0.87 -1.66 0.39 113.55 117.27 2i7k h SER 51 Ca 0.47 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2i7k h SER 51 Cb 0.36 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2i7k h SER 51 CO -0.23 0.80 -0.03 0.74 -0.53 0.00 0.00 176.83 177.58 2i7k h THR 52 N 0.87 1.18 -0.32 2.23 2.02 -1.57 -2.47 112.91 114.85 2i7k h THR 52 Ca 0.19 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2i7k h THR 52 Cb 0.28 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2i7k h THR 52 CO -0.01 0.22 0.05 0.00 0.37 0.00 0.00 175.52 176.15 2i7k h MET 53 N -0.49 0.53 -0.72 6.66 -0.00 -1.24 -2.56 114.93 117.10 2i7k h MET 53 Ca -0.01 -0.14 0.02 0.00 -0.00 0.00 0.00 59.70 59.57 2i7k h MET 53 Cb 0.42 -0.06 -0.04 0.00 -0.00 0.00 0.00 31.60 31.92 2i7k h MET 53 CO 0.01 0.62 0.46 1.57 -0.00 0.00 0.00 176.91 179.58 2i7k h LYS 54 N 0.35 0.89 -0.75 -0.10 5.09 -0.99 -0.24 116.57 120.82 2i7k h LYS 54 Ca 0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 60.65 60.75 2i7k h LYS 54 Cb 0.36 -0.20 -0.03 0.00 0.10 0.00 0.00 32.23 32.45 2i7k h LYS 54 CO 0.01 0.59 0.33 1.49 -2.09 0.00 0.00 179.45 179.78 2i7k h GLU 55 N 0.92 1.09 -0.46 0.07 4.81 -1.39 -2.52 114.58 117.11 2i7k h GLU 55 Ca 0.28 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 2i7k h GLU 55 Cb -0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2i7k h GLU 55 CO -0.09 0.87 -0.25 0.87 -0.73 0.00 0.00 179.01 179.68 2i7k h LYS 56 N 1.08 0.97 -0.98 1.92 1.79 -0.98 -3.07 116.57 117.30 2i7k h LYS 56 Ca 0.26 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.32 2i7k h LYS 56 Cb 0.16 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 2i7k h LYS 56 CO -0.03 1.10 0.64 0.82 -1.08 0.00 0.00 179.45 180.91 2i7k h ILE 57 N 0.83 1.20 -0.04 1.86 2.04 -0.71 -0.57 117.51 122.12 2i7k h ILE 57 Ca 0.10 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2i7k h ILE 57 Cb 0.83 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2i7k h ILE 57 CO 0.07 0.23 0.05 0.11 0.00 0.00 0.00 178.15 178.61 2i7k h LYS 58 N 1.27 0.00 -0.67 2.37 1.79 -1.36 -0.14 116.57 119.83 2i7k h LYS 58 Ca 0.38 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.75 2i7k h LYS 58 Cb -0.06 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.54 2i7k h LYS 58 CO -0.10 0.00 0.12 0.09 -1.08 0.00 0.00 179.45 178.48 2i7k n ASN 59 N -3.85 5.22 -1.62 0.86 3.02 -0.46 -4.89 115.26 113.54 2i7k n ASN 59 Ca -0.02 -3.02 -0.19 0.00 -0.03 0.00 0.00 54.58 51.32 2i7k n ASN 59 Cb 0.14 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.53 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 -5.39 -0.03 6.41 4.05 -0.06 -4.86 115.26 115.66 2i7k n ASN 60 Ca 0.33 0.40 -0.17 0.00 0.45 0.00 0.00 54.58 55.58 2i7k n ASN 60 Cb 1.25 -4.58 -0.06 0.00 1.23 0.00 0.00 39.78 37.63 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2i7k h ASP 61 N 0.00 0.95 -3.80 1.20 1.82 -1.30 -3.41 116.42 111.89 2i7k h ASP 61 Ca -0.41 -0.60 -0.67 0.00 -0.39 0.00 0.00 57.03 54.96 2i7k h ASP 61 Cb 1.28 -0.28 -0.37 0.00 0.68 0.00 0.00 39.33 40.65 2i7k h ASP 61 CO 0.58 1.40 -0.76 -0.31 -1.61 0.00 0.00 179.24 178.54 2i7k s TYR 62 N -3.82 3.39 0.00 0.28 2.02 -1.25 -4.88 117.35 113.10 2i7k s TYR 62 Ca -0.10 -2.41 0.00 0.00 -0.37 0.00 0.00 57.07 54.18 2i7k s TYR 62 Cb 0.09 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.41 2i7k s TYR 62 CO 0.90 -0.89 0.85 0.00 -1.57 0.00 0.00 175.55 174.84 2i7k n GLN 63 N 4.43 0.00 -5.03 -0.62 -0.00 -1.26 -4.68 117.38 110.22 2i7k n GLN 63 Ca -0.09 -0.74 -0.28 0.00 -0.00 0.00 0.00 57.00 55.88 2i7k n GLN 63 Cb 0.42 -0.39 -0.16 0.00 -0.00 0.00 0.00 30.24 30.11 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2i7k s SER 64 N -0.71 2.57 0.27 2.61 0.01 -1.26 -4.86 113.70 112.32 2i7k s SER 64 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2i7k s SER 64 Cb 0.00 -0.71 0.54 0.00 0.21 0.00 0.00 66.02 66.06 2i7k s SER 64 CO 0.00 0.19 1.80 0.16 0.41 0.00 0.00 173.24 175.81 2i7k h ILE 65 N 5.16 0.84 -0.38 1.44 3.07 -1.99 0.12 117.51 125.78 2i7k h ILE 65 Ca -0.32 -0.28 -0.16 0.00 1.55 0.00 0.00 64.86 65.65 2i7k h ILE 65 Cb 1.17 -0.05 -0.01 0.00 -0.27 0.00 0.00 36.82 37.66 2i7k h ILE 65 CO 0.47 0.15 -0.39 -0.33 -1.05 0.00 0.00 178.15 177.00 2i7k h GLU 66 N 0.82 0.93 -0.09 0.16 4.39 -1.98 -2.16 114.58 116.64 2i7k h GLU 66 Ca 0.48 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2i7k h GLU 66 Cb 0.56 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2i7k h GLU 66 CO -0.30 1.15 -0.01 0.93 -1.16 0.00 0.00 179.01 179.61 2i7k h GLU 67 N 0.75 0.17 -0.51 2.33 4.39 -1.67 -0.63 114.58 119.41 2i7k h GLU 67 Ca 0.06 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2i7k h GLU 67 Cb 0.99 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 2i7k h GLU 67 CO 0.10 0.47 0.00 1.37 -1.16 0.00 0.00 179.01 179.78 2i7k h LEU 68 N -0.13 0.83 -0.16 1.33 8.10 -0.88 -2.58 115.31 121.82 2i7k h LEU 68 Ca 0.03 -0.21 -0.12 0.00 0.11 0.00 0.00 57.88 57.68 2i7k h LEU 68 Cb 0.40 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 2i7k h LEU 68 CO 0.01 0.89 -0.38 0.11 -4.11 0.00 0.00 178.44 174.95 2i7k h LYS 69 N 0.80 0.54 -0.64 0.17 1.57 -1.38 -1.60 116.57 116.03 2i7k h LYS 69 Ca 0.15 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2i7k h LYS 69 Cb 0.48 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 2i7k h LYS 69 CO 0.02 0.98 0.37 0.22 -0.57 0.00 0.00 179.45 180.48 2i7k h ASP 70 N 0.17 0.58 -0.05 0.86 1.82 -1.05 0.26 116.42 119.00 2i7k h ASP 70 Ca -0.00 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 2i7k h ASP 70 Cb 0.99 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2i7k h ASP 70 CO 0.08 0.39 -0.10 0.78 -1.61 0.00 0.00 179.24 178.78 2i7k h ASN 71 N 0.71 0.18 -0.21 2.28 4.21 -1.49 -1.10 115.58 120.16 2i7k h ASN 71 Ca 0.27 -0.56 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 2i7k h ASN 71 Cb 0.10 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 2i7k h ASN 71 CO -0.14 0.70 0.12 0.15 -1.29 0.00 0.00 177.43 176.97 2i7k h PHE 72 N -0.34 0.28 -0.44 1.19 3.57 -1.13 -2.37 116.94 117.70 2i7k h PHE 72 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2i7k h PHE 72 Cb 0.67 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2i7k h PHE 72 CO 0.11 0.23 0.13 -0.22 -2.23 0.00 0.00 178.31 176.33 2i7k h LYS 73 N 0.24 0.64 -0.50 1.11 3.64 -0.55 -2.55 116.57 118.59 2i7k h LYS 73 Ca 0.07 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2i7k h LYS 73 Cb 0.04 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2i7k h LYS 73 CO -0.01 0.57 0.33 -0.07 -2.27 0.00 0.00 179.45 178.00 2i7k h LEU 74 N 0.63 0.58 -0.47 5.20 3.38 -0.71 0.32 115.31 124.25 2i7k h LEU 74 Ca 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2i7k h LEU 74 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2i7k h LEU 74 CO -0.01 0.42 0.14 -0.03 0.09 0.00 0.00 178.44 179.05 2i7k h MET 75 N 0.68 0.73 -0.52 1.13 4.05 -1.15 0.29 114.93 120.15 2i7k h MET 75 Ca 0.18 -0.16 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 2i7k h MET 75 Cb -0.08 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 2i7k h MET 75 CO -0.04 0.70 0.11 0.00 0.23 0.00 0.00 176.91 177.91 2i7k h THR 77 N 0.72 1.33 -0.51 0.00 2.02 -0.19 0.15 112.91 116.42 2i7k h THR 77 Ca 0.16 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 2i7k h THR 77 Cb 0.36 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2i7k h THR 77 CO 0.00 0.29 0.10 0.78 0.37 0.00 0.00 175.52 177.07 2i7k h ASN 78 N -0.26 0.74 -0.13 4.18 2.35 -0.40 0.09 115.58 122.15 2i7k h ASN 78 Ca 0.01 -0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.47 2i7k h ASN 78 Cb 0.48 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.66 2i7k h ASN 78 CO 0.01 0.75 -0.52 0.00 -1.65 0.00 0.00 177.43 176.02 2i7k h ALA 79 N 1.35 0.24 -0.05 -0.83 0.00 -0.44 -2.66 119.26 116.86 2i7k h ALA 79 Ca 0.17 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 2i7k h ALA 79 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2i7k h ALA 79 CO 0.00 0.43 -0.65 0.00 0.00 0.00 0.00 179.25 179.03 2i7k h MET 80 N 0.22 0.19 -0.31 0.00 -0.00 -0.57 0.38 114.93 114.84 2i7k h MET 80 Ca -0.03 -0.15 -0.15 0.00 -0.00 0.00 0.00 59.70 59.37 2i7k h MET 80 Cb 1.15 0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2i7k h MET 80 CO 0.11 0.78 -0.40 0.97 -0.00 0.00 0.00 176.91 178.37 2i7k h ILE 81 N 0.14 1.29 0.17 -0.10 6.09 -1.03 -3.29 117.51 120.77 2i7k h ILE 81 Ca -0.01 -1.58 -0.33 0.00 -1.37 0.00 0.00 64.86 61.57 2i7k h ILE 81 Cb 1.17 1.55 0.01 0.00 0.47 0.00 0.00 36.82 40.03 2i7k h ILE 81 CO 0.10 0.51 -1.59 0.22 -3.07 0.00 0.00 178.15 174.32 2i7k h TYR 82 N 0.60 0.66 -2.62 2.19 3.20 -1.48 -3.41 116.97 116.11 2i7k h TYR 82 Ca 0.04 -0.48 -0.70 0.00 3.14 0.00 0.00 58.73 60.73 2i7k h TYR 82 Cb 0.99 -0.03 -0.19 0.00 1.54 0.00 0.00 36.73 39.05 2i7k h TYR 82 CO 0.07 1.53 0.70 1.21 -1.64 0.00 0.00 178.16 180.02 2i7k s ASN 83 N -7.23 6.60 0.90 -2.11 3.04 0.13 -5.03 114.94 111.24 2i7k s ASN 83 Ca -0.11 -2.05 -0.11 0.00 0.04 0.00 0.00 52.86 50.63 2i7k s ASN 83 Cb 0.06 -2.37 0.13 0.00 -1.54 0.00 0.00 41.25 37.53 2i7k s ASN 83 CO 0.87 -1.02 1.09 -0.54 -3.04 0.00 0.00 177.10 174.46 2i7k s LYS 84 N 2.43 1.23 -0.85 0.43 -0.14 -1.26 -4.47 119.74 117.10 2i7k s LYS 84 Ca 0.29 0.99 -0.27 0.00 -1.36 0.00 0.00 55.97 55.62 2i7k s LYS 84 Cb -0.07 -1.79 -0.26 0.00 -1.68 0.00 0.00 37.83 34.03 2i7k s LYS 84 CO -0.08 -2.31 1.99 -0.35 -0.76 0.00 0.00 175.35 173.84 2i7k n PRO 85 N -3.95 0.20 -0.04 -1.68 -0.04 -1.26 -4.51 135.00 123.71 2i7k n PRO 85 Ca 0.08 -1.61 -0.02 0.00 -0.04 0.00 0.00 63.50 61.91 2i7k n PRO 85 Cb 0.54 -3.61 -0.01 0.00 -0.04 0.00 0.00 33.50 30.39 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 11.13 0.00 0.00 0.54 4.81 -1.99 -3.50 114.58 125.57 2i7k h GLU 86 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2i7k h GLU 86 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2i7k h GLU 86 CO 1.26 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.79 2i7k n THR 87 N -3.90 0.00 -0.15 0.32 -2.24 -1.26 -5.02 114.28 102.03 2i7k n THR 87 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2i7k n THR 87 Cb 0.13 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.59 0.00 -0.10 2.28 -0.00 -1.26 -4.78 119.36 114.91 2i7k n ILE 88 Ca 0.00 -0.32 -0.09 0.00 -0.00 0.00 0.00 62.75 62.34 2i7k n ILE 88 Cb 0.00 1.15 -0.01 0.00 -0.00 0.00 0.00 39.64 40.77 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 0.42 -0.56 4.28 -1.99 -1.95 0.41 116.97 117.57 2i7k h TYR 89 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2i7k h TYR 89 Cb 0.07 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 2i7k h TYR 89 CO 0.00 0.30 0.31 -0.92 -0.00 0.00 0.00 178.16 177.85 2i7k h TYR 90 N 0.42 0.76 -0.30 4.88 3.20 -1.79 -2.29 116.97 121.85 2i7k h TYR 90 Ca 0.12 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 2i7k h TYR 90 Cb -0.00 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 2i7k h TYR 90 CO -0.04 0.55 -0.43 0.87 -1.64 0.00 0.00 178.16 177.46 2i7k h LYS 91 N 0.75 0.74 -0.49 1.82 1.57 -1.81 -2.32 116.57 116.84 2i7k h LYS 91 Ca 0.20 -0.41 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2i7k h LYS 91 Cb 0.03 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2i7k h LYS 91 CO -0.03 1.03 0.25 0.00 -0.57 0.00 0.00 179.45 180.13 2i7k h ALA 92 N 0.91 0.62 -0.21 3.86 0.00 0.08 0.24 119.26 124.76 2i7k h ALA 92 Ca 0.04 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2i7k h ALA 92 Cb 0.99 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2i7k h ALA 92 CO 0.09 -0.09 -0.18 0.00 0.00 0.00 0.00 179.25 179.07 2i7k h ALA 93 N 1.25 0.31 -0.24 0.00 0.00 -1.41 -2.11 119.26 117.07 2i7k h ALA 93 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2i7k h ALA 93 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2i7k h ALA 93 CO -0.14 0.23 0.12 -0.22 0.00 0.00 0.00 179.25 179.24 2i7k h LYS 94 N 0.18 0.34 -0.29 0.00 3.64 -1.17 0.01 116.57 119.27 2i7k h LYS 94 Ca 0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2i7k h LYS 94 Cb 0.72 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2i7k h LYS 94 CO 0.05 0.33 0.17 -0.22 -2.27 0.00 0.00 179.45 177.51 2i7k h LYS 95 N 0.26 0.39 -0.78 1.90 3.64 -0.58 -2.52 116.57 118.88 2i7k h LYS 95 Ca 0.08 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2i7k h LYS 95 Cb 0.10 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2i7k h LYS 95 CO -0.01 0.31 0.33 1.25 -2.27 0.00 0.00 179.45 179.06 2i7k h LEU 96 N 0.36 1.06 -0.53 5.20 5.85 -1.26 -2.40 115.31 123.58 2i7k h LEU 96 Ca 0.10 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2i7k h LEU 96 Cb 0.02 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 2i7k h LEU 96 CO -0.02 0.92 0.26 0.25 -0.34 0.00 0.00 178.44 179.51 2i7k h LEU 97 N 1.13 0.36 -0.60 2.25 6.46 -0.69 -1.47 115.31 122.76 2i7k h LEU 97 Ca 0.26 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 58.00 2i7k h LEU 97 Cb 0.18 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2i7k h LEU 97 CO -0.03 0.25 0.14 -0.74 -0.62 0.00 0.00 178.44 177.44 2i7k h HIS 98 N 0.50 1.02 -0.47 1.25 2.76 -1.20 -2.53 115.15 116.47 2i7k h HIS 98 Ca 0.24 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2i7k h HIS 98 Cb 0.17 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 2i7k h HIS 98 CO -0.11 0.86 0.25 0.77 -1.30 0.00 0.00 177.93 178.41 2i7k h SER 99 N 0.87 0.38 -0.87 3.26 0.02 -0.92 -2.33 113.55 113.97 2i7k h SER 99 Ca 0.19 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2i7k h SER 99 Cb 0.37 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2i7k h SER 99 CO 0.00 0.27 0.49 1.23 -1.14 0.00 0.00 176.83 177.68 2i7k h GLY 100 N 0.50 1.29 0.86 -3.77 0.00 -1.14 -2.24 103.07 98.57 2i7k h GLY 100 Ca 0.20 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 46.99 2i7k h GLY 100 CO -0.13 0.55 0.51 -0.33 0.00 0.00 0.00 176.54 177.15 2i7k h MET 101 N 1.21 0.96 -0.51 4.80 2.86 -1.00 0.19 114.93 123.44 2i7k h MET 101 Ca 0.31 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 2i7k h MET 101 Cb 0.01 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2i7k h MET 101 CO -0.05 0.64 -0.01 0.87 1.06 0.00 0.00 176.91 179.42 2i7k h LYS 102 N 0.99 0.90 -0.20 1.72 6.56 -1.08 -2.95 116.57 122.51 2i7k h LYS 102 Ca 0.33 -0.29 -0.13 0.00 -1.06 0.00 0.00 60.65 59.50 2i7k h LYS 102 Cb 0.03 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 2i7k h LYS 102 CO -0.12 0.93 -0.42 0.82 -2.06 0.00 0.00 179.45 178.60 2i7k h ILE 103 N 0.77 1.31 0.00 1.86 2.04 -0.93 -2.82 117.51 119.73 2i7k h ILE 103 Ca 0.14 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 2i7k h ILE 103 Cb 0.53 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2i7k h ILE 103 CO 0.03 0.49 -0.05 0.25 0.00 0.00 0.00 178.15 178.87 2i7k h LEU 104 N 0.39 0.00 0.18 1.44 6.46 -0.48 -2.96 115.31 120.34 2i7k h LEU 104 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2i7k h LEU 104 Cb 0.90 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2i7k h LEU 104 CO 0.08 0.05 -0.16 0.28 -0.62 0.00 0.00 178.44 178.06 2i7k h SER 105 N 0.00 -0.43 -0.65 1.25 0.02 -1.36 -2.39 113.55 109.99 2i7k h SER 105 Ca -0.00 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2i7k h SER 105 Cb 0.14 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 2i7k h SER 105 CO 0.01 -0.25 0.43 0.06 -1.14 0.00 0.00 176.83 175.94 2i7k h GLN 106 N -0.36 0.65 -0.40 3.45 3.07 -1.67 -0.83 115.11 119.02 2i7k h GLN 106 Ca -0.00 -0.04 0.12 0.00 0.09 0.00 0.00 58.65 58.81 2i7k h GLN 106 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.73 2i7k h GLN 106 CO -0.03 0.43 0.29 1.49 0.09 0.00 0.00 178.83 181.10 2i7k h GLU 107 N 0.67 0.00 -2.23 0.06 4.81 -1.47 -2.72 114.58 113.70 2i7k h GLU 107 Ca 0.28 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 59.02 2i7k h GLU 107 Cb 0.25 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.51 2i7k h GLU 107 CO -0.09 0.00 0.96 -2.13 -0.73 0.00 0.00 179.01 177.02 2i7k n ARG 108 N -4.40 2.87 -4.30 1.92 0.63 -0.32 -4.91 116.66 108.16 2i7k n ARG 108 Ca 0.07 -2.20 -0.28 0.00 -0.92 0.00 0.00 57.85 54.52 2i7k n ARG 108 Cb 0.48 -2.27 -0.10 0.00 0.45 0.00 0.00 32.46 31.01 2i7k n ARG 108 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2i7k s LEU 109 N -1.35 2.83 -1.47 6.15 0.05 -1.03 -4.63 118.68 119.23 2i7k s LEU 109 Ca 0.61 -0.59 -0.03 0.00 0.05 0.00 0.00 54.13 54.18 2i7k s LEU 109 Cb 0.31 -1.58 0.01 0.00 -2.05 0.00 0.00 46.19 42.87 2i7k s LEU 109 CO -0.12 0.14 0.24 1.21 -0.55 0.00 0.00 176.35 177.26 2i7k n GLU 110 N 0.36 -2.96 -3.97 1.48 4.07 -1.26 -4.94 120.64 113.42 2i7k n GLU 110 Ca -0.13 0.81 -0.12 0.00 -0.06 0.00 0.00 57.16 57.65 2i7k n GLU 110 Cb 0.54 -5.52 -0.01 0.00 -0.06 0.00 0.00 31.44 26.39 2i7k n GLU 110 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2i7k s HIS 111 N -2.96 0.70 -0.56 4.31 2.46 -1.26 -4.85 115.29 113.13 2i7k s HIS 111 Ca 0.14 -1.11 -0.12 0.00 0.47 0.00 0.00 55.06 54.44 2i7k s HIS 111 Cb -0.07 0.30 0.02 0.00 -0.13 0.00 0.00 32.58 32.70 2i7k s HIS 111 CO 0.17 -1.33 0.64 0.72 -2.47 0.00 0.00 174.74 172.47 2i7k n HIS 112 N -0.56 -3.16 -3.85 3.88 8.25 -1.26 -5.05 115.22 113.47 2i7k n HIS 112 Ca -0.03 1.26 -0.08 0.00 -0.26 0.00 0.00 57.72 58.61 2i7k n HIS 112 Cb 0.61 -3.80 -0.00 0.00 1.12 0.00 0.00 29.99 27.91 2i7k n HIS 112 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2i7k s HIS 113 N -2.65 -0.01 0.04 4.41 -0.00 -1.26 -5.16 115.29 110.66 2i7k s HIS 113 Ca 0.16 -0.53 -0.09 0.00 -0.00 0.00 0.00 55.06 54.61 2i7k s HIS 113 Cb -0.04 0.72 -0.05 0.00 -0.00 0.00 0.00 32.58 33.21 2i7k s HIS 113 CO 0.78 -1.36 0.35 -1.58 -0.00 0.00 0.00 174.74 172.93 2i7k s HIS 114 N -3.25 3.60 0.04 0.38 5.65 -1.26 -5.08 115.29 115.36 2i7k s HIS 114 Ca 0.14 0.74 -0.28 0.00 0.25 0.00 0.00 55.06 55.90 2i7k s HIS 114 Cb -0.05 -2.12 0.10 0.00 -1.18 0.00 0.00 32.58 29.33 2i7k s HIS 114 CO 0.09 0.57 1.07 -3.38 -0.65 0.00 0.00 174.74 172.44 2i7k s HIS 115 N -1.33 -0.14 -2.29 3.88 -0.00 -1.26 -5.25 115.29 108.91 2i7k s HIS 115 Ca 0.30 -0.05 0.18 0.00 -0.00 0.00 0.00 55.06 55.50 2i7k s HIS 115 Cb -0.14 0.58 0.14 0.00 -0.00 0.00 0.00 32.58 33.17 2i7k s HIS 115 CO 0.17 -0.55 1.08 0.72 -0.00 0.00 0.00 174.74 176.16