#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 3.48 -1.58 3.17 0.41 -1.26 -4.33 118.70 118.58 2i7k s GLU 1 Ca 0.00 -0.50 -0.01 0.00 -0.41 0.00 0.00 54.97 54.05 2i7k s GLU 1 Cb 0.00 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 2i7k s GLU 1 CO 0.00 0.37 0.10 0.39 -0.49 0.00 0.00 175.26 175.63 2i7k n GLU 2 N -1.12 -2.29 0.00 1.61 1.02 -1.26 -4.78 120.64 113.82 2i7k n GLU 2 Ca -0.06 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2i7k n GLU 2 Cb 0.55 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 2i7k n GLU 2 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2i7k n VAL 3 N -3.94 0.00 -1.16 2.62 0.24 -1.26 -4.84 118.33 109.98 2i7k n VAL 3 Ca -0.20 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.86 2i7k n VAL 3 Cb 0.66 -0.32 0.03 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.02 2.17 -0.04 7.34 1.02 -1.26 -4.27 120.64 123.58 2i7k n GLU 4 Ca 0.00 -2.21 -0.12 0.00 -0.02 0.00 0.00 57.16 54.80 2i7k n GLU 4 Cb 0.18 -1.91 -0.14 0.00 -0.02 0.00 0.00 31.44 29.56 2i7k n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i7k n GLN 5 N 0.12 0.67 -0.03 3.49 10.64 -1.26 -3.92 117.38 127.09 2i7k n GLN 5 Ca 0.42 0.22 -0.12 0.00 -1.83 0.00 0.00 57.00 55.69 2i7k n GLN 5 Cb 0.57 -1.70 -0.10 0.00 -0.86 0.00 0.00 30.24 28.16 2i7k n GLN 5 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 2i7k h THR 6 N 0.01 1.30 -0.76 -0.39 1.35 -1.98 -3.14 112.91 109.30 2i7k h THR 6 Ca -0.39 -1.68 0.13 0.00 -0.55 0.00 0.00 66.41 63.92 2i7k h THR 6 Cb 2.06 2.33 -0.09 0.00 -1.73 0.00 0.00 68.15 70.72 2i7k h THR 6 CO 0.06 0.39 0.34 -0.65 -0.25 0.00 0.00 175.52 175.41 2i7k h PRO 7 N -0.87 0.51 -0.89 4.72 0.11 -1.85 -1.09 132.00 132.63 2i7k h PRO 7 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2i7k h PRO 7 Cb 0.68 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 2i7k h PRO 7 CO 0.01 0.34 0.49 -0.07 -0.21 0.00 0.00 178.00 178.56 2i7k h LEU 8 N 0.52 1.12 -0.96 2.35 4.07 -1.69 -2.45 115.31 118.27 2i7k h LEU 8 Ca 0.40 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.26 2i7k h LEU 8 Cb 0.55 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 2i7k h LEU 8 CO -0.36 0.89 0.59 -0.61 -1.08 0.00 0.00 178.44 177.88 2i7k h GLN 9 N 1.25 1.29 -0.33 1.13 4.15 -1.16 -1.90 115.11 119.55 2i7k h GLN 9 Ca 0.31 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2i7k h GLN 9 Cb 0.03 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 2i7k h GLN 9 CO -0.05 0.90 0.21 1.49 -1.93 0.00 0.00 178.83 179.44 2i7k h GLU 10 N 1.32 0.43 -0.64 1.69 4.81 -0.95 -0.99 114.58 120.24 2i7k h GLU 10 Ca 0.34 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2i7k h GLU 10 Cb -0.07 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2i7k h GLU 10 CO -0.07 0.31 0.26 0.00 -0.73 0.00 0.00 179.01 178.78 2i7k h ALA 11 N 1.10 1.25 -0.33 2.92 0.00 -1.26 -2.08 119.26 120.86 2i7k h ALA 11 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2i7k h ALA 11 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2i7k h ALA 11 CO -0.02 0.55 0.09 1.25 0.00 0.00 0.00 179.25 181.12 2i7k h LEU 12 N 0.92 0.50 -0.77 0.00 6.46 -0.90 -1.15 115.31 120.36 2i7k h LEU 12 Ca 0.22 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2i7k h LEU 12 Cb 0.17 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 2i7k h LEU 12 CO -0.02 0.58 0.44 0.78 -0.62 0.00 0.00 178.44 179.60 2i7k h ASN 13 N 0.39 0.96 -0.48 1.25 2.35 -0.93 -1.89 115.58 117.22 2i7k h ASN 13 Ca 0.11 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2i7k h ASN 13 Cb 0.27 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2i7k h ASN 13 CO -0.00 0.77 0.08 1.56 -1.65 0.00 0.00 177.43 178.19 2i7k h GLN 14 N 1.07 0.79 -0.47 0.81 4.20 -1.23 -1.11 115.11 119.16 2i7k h GLN 14 Ca 0.27 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2i7k h GLN 14 Cb 0.01 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 2i7k h GLN 14 CO -0.05 0.79 0.26 1.25 -0.67 0.00 0.00 178.83 180.42 2i7k h LEU 15 N 0.66 0.40 -0.66 1.46 6.46 -0.89 0.73 115.31 123.47 2i7k h LEU 15 Ca 0.15 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.84 2i7k h LEU 15 Cb 0.38 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2i7k h LEU 15 CO 0.01 0.28 0.08 0.24 -0.62 0.00 0.00 178.44 178.43 2i7k h MET 16 N 0.52 1.10 -0.52 1.25 2.86 -1.21 -1.94 114.93 116.99 2i7k h MET 16 Ca 0.20 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 2i7k h MET 16 Cb 0.07 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2i7k h MET 16 CO -0.12 1.03 -0.02 0.00 1.06 0.00 0.00 176.91 178.86 2i7k h ARG 17 N 1.02 0.88 -0.10 1.72 3.08 -0.68 0.11 114.38 120.42 2i7k h ARG 17 Ca 0.20 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2i7k h ARG 17 Cb 0.48 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2i7k h ARG 17 CO 0.02 0.89 -0.01 0.37 -1.07 0.00 0.00 179.97 180.17 2i7k h GLN 18 N 0.81 0.18 -0.37 0.04 4.15 -0.65 -0.33 115.11 118.94 2i7k h GLN 18 Ca 0.15 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.37 2i7k h GLN 18 Cb 0.51 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2i7k h GLN 18 CO 0.03 0.45 -0.34 1.37 -1.93 0.00 0.00 178.83 178.41 2i7k h LEU 19 N -0.11 0.88 -0.67 -2.39 8.10 -1.30 -3.08 115.31 116.74 2i7k h LEU 19 Ca 0.03 -0.38 -0.12 0.00 0.11 0.00 0.00 57.88 57.52 2i7k h LEU 19 Cb 0.38 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2i7k h LEU 19 CO 0.01 1.14 -0.26 -0.61 -4.11 0.00 0.00 178.44 174.61 2i7k h GLN 20 N 0.70 0.75 0.00 0.17 4.15 -0.77 -2.75 115.11 117.36 2i7k h GLN 20 Ca 0.07 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2i7k h GLN 20 Cb 0.90 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2i7k h GLN 20 CO 0.08 0.93 0.00 -0.09 -1.93 0.00 0.00 178.83 177.82 2i7k h ARG 21 N 0.65 0.00 0.00 1.69 2.43 -0.99 -3.33 114.38 114.82 2i7k h ARG 21 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 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 1.17 -1.51 0.00 0.00 179.97 179.69 2i7k n LYS 22 N -2.55 0.00 0.00 0.20 4.81 -1.04 -4.96 118.16 114.62 2i7k n LYS 22 Ca 0.01 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 2i7k n LYS 22 Cb 0.20 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.82 2i7k n LYS 22 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2i7k n ASP 23 N -2.42 0.00 0.33 3.14 9.92 -1.25 -4.97 116.55 121.29 2i7k n ASP 23 Ca 0.00 0.00 0.20 0.00 -0.53 0.00 0.00 54.79 54.46 2i7k n ASP 23 Cb 0.00 0.00 1.12 0.00 -0.64 0.00 0.00 41.12 41.60 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 0.00 0.00 -0.24 0.11 -1.88 -1.75 132.00 128.24 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 0.00 -0.09 0.77 -0.21 0.00 0.00 178.00 178.47 2i7k h SER 25 N 0.00 0.00 -0.30 -2.05 0.02 -1.83 -2.89 113.55 106.51 2i7k h SER 25 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2i7k h SER 25 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2i7k h SER 25 CO -0.00 0.09 0.29 0.00 -1.14 0.00 0.00 176.83 176.07 2i7k h ALA 26 N 1.91 2.03 0.06 3.77 0.00 -1.55 -0.25 119.26 125.23 2i7k h ALA 26 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i7k h ALA 26 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2i7k h ALA 26 CO 0.01 -0.45 -0.03 0.74 0.00 0.00 0.00 179.25 179.53 2i7k h PHE 27 N 0.00 -0.07 -0.95 0.00 -1.00 -1.74 -3.31 116.94 109.87 2i7k h PHE 27 Ca 0.14 -0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.39 2i7k h PHE 27 Cb 0.72 0.02 -0.29 0.00 3.61 0.00 0.00 35.95 40.01 2i7k h PHE 27 CO 0.00 0.51 0.63 1.19 -1.61 0.00 0.00 178.31 179.03 2i7k n PHE 28 N -4.82 2.96 1.00 -0.55 3.72 -0.97 -4.49 117.46 114.31 2i7k n PHE 28 Ca -0.08 -2.07 0.13 0.00 -0.05 0.00 0.00 57.45 55.38 2i7k n PHE 28 Cb 0.30 -1.01 0.59 0.00 -0.94 0.00 0.00 39.48 38.43 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 0.00 -4.34 4.37 2.88 -0.14 -2.41 113.62 112.88 2i7k n SER 29 Ca 0.58 0.34 -0.19 0.00 -1.33 0.00 0.00 58.87 58.27 2i7k n SER 29 Cb 1.43 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 64.35 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 -2.88 1.74 -0.48 0.66 -0.12 -1.26 -3.32 117.98 112.32 2i7k s PHE 30 Ca 0.16 -0.54 -0.27 0.00 -0.05 0.00 0.00 56.93 56.23 2i7k s PHE 30 Cb 0.17 -0.82 -0.02 0.00 -0.63 0.00 0.00 43.02 41.72 2i7k s PHE 30 CO 0.46 0.36 1.87 -1.25 -0.05 0.00 0.00 175.22 176.61 2i7k s PRO 31 N -3.45 2.89 0.80 1.99 0.04 -1.26 -4.76 135.00 131.26 2i7k s PRO 31 Ca 0.21 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 2i7k s PRO 31 Cb -0.02 -4.32 0.08 0.00 0.04 0.00 0.00 34.50 30.28 2i7k s PRO 31 CO 0.07 -2.40 1.19 0.14 0.04 0.00 0.00 177.00 176.04 2i7k s VAL 32 N 8.37 2.16 0.00 -0.36 -7.23 -1.26 -4.96 120.40 117.12 2i7k s VAL 32 Ca 0.75 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 2i7k s VAL 32 Cb -0.17 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2i7k s VAL 32 CO 0.27 -0.05 0.00 0.35 -0.31 0.00 0.00 175.10 175.35 2i7k n THR 33 N -3.30 0.00 0.61 5.32 -2.24 -1.26 -4.85 114.28 108.56 2i7k n THR 33 Ca 0.13 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 2i7k n THR 33 Cb 0.51 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.09 2i7k n THR 33 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2i7k n ASP 34 N -2.19 0.00 0.00 3.42 -0.08 -1.26 -1.45 116.55 114.99 2i7k n ASP 34 Ca 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 2i7k n ASP 34 Cb 0.00 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.05 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 -1.41 0.00 -0.05 -0.67 -0.00 -1.26 -4.72 117.46 109.35 2i7k n PHE 35 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.49 2i7k n PHE 35 Cb 0.15 0.00 0.24 0.00 -0.00 0.00 0.00 39.48 39.88 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 1.21 -1.94 -2.13 2.04 -1.93 -3.44 117.51 111.32 2i7k h ILE 36 Ca 0.00 -0.85 -0.52 0.00 1.00 0.00 0.00 64.86 64.49 2i7k h ILE 36 Cb 0.97 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2i7k h ILE 36 CO 0.00 0.30 -0.51 0.00 0.00 0.00 0.00 178.15 177.94 2i7k s ALA 37 N -5.02 3.62 -1.96 1.87 0.00 -0.53 -4.76 121.76 114.99 2i7k s ALA 37 Ca -0.08 -1.68 0.16 0.00 0.00 0.00 0.00 51.96 50.36 2i7k s ALA 37 Cb 0.15 -1.01 0.96 0.00 0.00 0.00 0.00 23.12 23.22 2i7k s ALA 37 CO 0.78 0.08 1.38 -0.35 0.00 0.00 0.00 175.76 177.65 2i7k n PRO 38 N -1.22 0.49 0.00 0.00 -0.04 -1.26 -4.52 135.00 128.44 2i7k n PRO 38 Ca -0.04 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2i7k n PRO 38 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.01 0.03 0.07 0.55 0.00 -1.26 -5.05 105.19 99.55 2i7k n GLY 39 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 0.11 0.00 1.61 -1.99 -1.80 -1.72 116.97 113.19 2i7k h TYR 40 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2i7k h TYR 40 Cb 0.00 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 38.69 2i7k h TYR 40 CO 0.00 0.09 -0.03 0.77 -0.00 0.00 0.00 178.16 178.99 2i7k h SER 41 N 0.10 0.00 -0.00 3.88 0.02 -1.76 0.96 113.55 116.75 2i7k h SER 41 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2i7k h SER 41 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2i7k h SER 41 CO -0.01 0.03 -0.02 0.24 -1.14 0.00 0.00 176.83 175.93 2i7k h MET 42 N 0.00 0.02 0.00 3.45 2.86 -1.70 -3.41 114.93 116.15 2i7k h MET 42 Ca -0.00 -0.02 -0.41 0.00 -2.06 0.00 0.00 59.70 57.22 2i7k h MET 42 Cb 0.08 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 2i7k h MET 42 CO 0.00 0.79 -2.44 1.51 1.06 0.00 0.00 176.91 177.84 2i7k n ILE 43 N -4.70 1.42 -3.06 -1.22 3.06 -0.82 -4.79 119.36 109.26 2i7k n ILE 43 Ca -0.09 -0.45 -0.45 0.00 -2.50 0.00 0.00 62.75 59.26 2i7k n ILE 43 Cb 0.39 -1.63 -0.02 0.00 0.54 0.00 0.00 39.64 38.92 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 -2.48 5.05 0.21 9.51 -1.09 0.33 -4.90 121.20 127.83 2i7k s ILE 44 Ca -0.35 -1.97 -0.10 0.00 -2.23 0.00 0.00 60.65 56.00 2i7k s ILE 44 Cb 0.12 -4.69 0.16 0.00 -1.58 0.00 0.00 42.46 36.46 2i7k s ILE 44 CO 0.51 -1.37 1.71 0.50 -1.23 0.00 0.00 174.94 175.06 2i7k h LYS 45 N 8.34 0.27 -3.02 2.79 3.64 -1.78 -3.33 116.57 123.47 2i7k h LYS 45 Ca 0.16 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.90 2i7k h LYS 45 Cb 1.01 -0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 32.37 2i7k h LYS 45 CO 1.01 0.18 -0.69 -1.01 -2.27 0.00 0.00 179.45 176.67 2i7k s HIS 46 N -6.10 2.70 0.11 1.91 3.76 -1.26 -4.90 115.29 111.51 2i7k s HIS 46 Ca -0.13 -2.91 -0.07 0.00 -0.15 0.00 0.00 55.06 51.80 2i7k s HIS 46 Cb 0.18 -2.26 -0.13 0.00 1.11 0.00 0.00 32.58 31.48 2i7k s HIS 46 CO 0.74 -0.69 1.28 -1.00 -0.85 0.00 0.00 174.74 174.22 2i7k h PRO 47 N 6.04 0.51 -5.61 8.40 0.13 -1.91 -3.44 132.00 136.12 2i7k h PRO 47 Ca 0.07 -0.53 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2i7k h PRO 47 Cb 0.85 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2i7k h PRO 47 CO 0.60 1.17 -0.85 -1.33 -0.23 0.00 0.00 178.00 177.35 2i7k n MET 48 N -3.79 -2.37 -1.59 0.86 2.81 -1.26 -2.44 117.12 109.34 2i7k n MET 48 Ca -0.08 2.03 -0.29 0.00 -1.81 0.00 0.00 57.70 57.56 2i7k n MET 48 Cb 0.84 -4.30 0.13 0.00 -0.71 0.00 0.00 33.22 29.17 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 -1.87 3.68 0.45 7.83 1.11 -1.26 -4.41 116.67 122.19 2i7k s ASP 49 Ca 0.16 0.94 0.11 0.00 0.18 0.00 0.00 52.55 53.94 2i7k s ASP 49 Cb -0.03 -1.51 1.01 0.00 1.07 0.00 0.00 42.92 43.46 2i7k s ASP 49 CO 0.68 -2.44 2.08 -0.26 1.18 0.00 0.00 175.17 176.41 2i7k h PHE 50 N -1.42 0.33 -0.33 4.23 0.04 -1.75 -1.24 116.94 116.80 2i7k h PHE 50 Ca -0.50 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.14 2i7k h PHE 50 Cb 1.33 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 2i7k h PHE 50 CO 0.30 0.21 -0.36 1.03 -0.60 0.00 0.00 178.31 178.89 2i7k h SER 51 N 0.36 0.89 -0.02 2.17 0.87 -1.75 -0.01 113.55 116.05 2i7k h SER 51 Ca 0.11 -0.48 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2i7k h SER 51 Cb 0.00 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 2i7k h SER 51 CO -0.02 1.18 -0.00 0.74 -0.53 0.00 0.00 176.83 178.20 2i7k h THR 52 N 0.61 1.26 -0.35 2.23 2.02 -1.72 -1.82 112.91 115.14 2i7k h THR 52 Ca 0.05 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.38 2i7k h THR 52 Cb 0.94 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 2i7k h THR 52 CO 0.09 0.21 -0.03 0.00 0.37 0.00 0.00 175.52 176.15 2i7k h MET 53 N -0.29 0.65 -0.58 6.66 3.00 -1.30 -1.65 114.93 121.42 2i7k h MET 53 Ca 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 59.70 59.50 2i7k h MET 53 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 31.60 31.85 2i7k h MET 53 CO 0.00 0.78 0.37 -0.22 0.00 0.00 0.00 176.91 177.84 2i7k h LYS 54 N 0.45 0.71 -0.56 -0.10 3.11 -1.02 0.15 116.57 119.31 2i7k h LYS 54 Ca 0.10 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.83 2i7k h LYS 54 Cb 0.51 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 2i7k h LYS 54 CO 0.02 0.47 0.10 1.49 -2.81 0.00 0.00 179.45 178.72 2i7k h GLU 55 N 0.73 0.89 -0.45 1.90 4.57 -1.27 -2.54 114.58 118.42 2i7k h GLU 55 Ca 0.23 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2i7k h GLU 55 Cb -0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2i7k h GLU 55 CO -0.08 0.82 -0.02 0.87 -1.18 0.00 0.00 179.01 179.42 2i7k h LYS 56 N 0.85 0.81 -0.98 1.92 6.56 -0.51 -3.00 116.57 122.22 2i7k h LYS 56 Ca 0.18 -0.27 0.03 0.00 -1.06 0.00 0.00 60.65 59.52 2i7k h LYS 56 Cb 0.36 -0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 31.90 2i7k h LYS 56 CO 0.01 0.88 0.64 0.82 -2.06 0.00 0.00 179.45 179.74 2i7k h ILE 57 N 0.65 1.20 -0.02 1.86 2.04 -0.45 0.68 117.51 123.47 2i7k h ILE 57 Ca 0.12 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2i7k h ILE 57 Cb 0.53 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2i7k h ILE 57 CO 0.03 0.23 0.04 0.11 0.00 0.00 0.00 178.15 178.56 2i7k h LYS 58 N 1.27 0.00 -0.53 2.37 1.79 -1.31 -0.08 116.57 120.08 2i7k h LYS 58 Ca 0.38 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.77 2i7k h LYS 58 Cb -0.05 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 2i7k h LYS 58 CO -0.11 0.00 0.08 0.09 -1.08 0.00 0.00 179.45 178.43 2i7k n ASN 59 N -3.48 4.83 -1.39 0.86 3.02 -0.33 -4.91 115.26 113.86 2i7k n ASN 59 Ca -0.02 -3.09 -0.18 0.00 -0.03 0.00 0.00 54.58 51.26 2i7k n ASN 59 Cb 0.12 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.55 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 -0.01 -5.13 -0.01 6.41 2.85 -0.04 -4.87 115.26 114.47 2i7k n ASN 60 Ca 0.30 0.41 -0.11 0.00 -0.11 0.00 0.00 54.58 55.07 2i7k n ASN 60 Cb 1.17 -4.18 0.02 0.00 1.24 0.00 0.00 39.78 38.04 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 0.72 -3.69 1.20 1.82 -1.08 -3.41 116.42 111.98 2i7k h ASP 61 Ca -0.36 -0.39 -0.64 0.00 -0.39 0.00 0.00 57.03 55.24 2i7k h ASP 61 Cb 1.16 -0.21 -0.37 0.00 0.68 0.00 0.00 39.33 40.59 2i7k h ASP 61 CO 0.53 1.14 -0.80 -0.31 -1.61 0.00 0.00 179.24 178.18 2i7k s TYR 62 N -3.99 2.79 0.00 0.28 2.02 -1.25 -4.91 117.35 112.29 2i7k s TYR 62 Ca -0.08 -1.97 0.00 0.00 -0.37 0.00 0.00 57.07 54.65 2i7k s TYR 62 Cb 0.11 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 2i7k s TYR 62 CO 0.86 -0.82 0.88 0.94 -1.57 0.00 0.00 175.55 175.84 2i7k n GLN 63 N 4.57 0.00 -4.71 -0.62 7.27 -1.26 -4.66 117.38 117.97 2i7k n GLN 63 Ca -0.14 -0.77 -0.25 0.00 0.07 0.00 0.00 57.00 55.91 2i7k n GLN 63 Cb 0.44 -0.37 -0.16 0.00 2.41 0.00 0.00 30.24 32.55 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2i7k s SER 64 N -0.77 1.93 0.29 1.69 0.01 -1.26 -4.93 113.70 110.66 2i7k s SER 64 Ca 0.00 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 56.98 2i7k s SER 64 Cb 0.00 -0.64 0.63 0.00 0.21 0.00 0.00 66.02 66.22 2i7k s SER 64 CO -0.00 0.11 1.82 0.16 0.41 0.00 0.00 173.24 175.73 2i7k h ILE 65 N 5.48 0.85 -0.39 1.44 -0.00 -1.98 0.33 117.51 123.24 2i7k h ILE 65 Ca -0.32 -0.31 -0.16 0.00 -0.00 0.00 0.00 64.86 64.07 2i7k h ILE 65 Cb 1.18 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 37.85 2i7k h ILE 65 CO 0.48 0.17 -0.37 -0.08 -0.00 0.00 0.00 178.15 178.35 2i7k h GLU 66 N 0.91 0.93 -0.09 0.16 4.81 -1.98 -0.63 114.58 118.71 2i7k h GLU 66 Ca 0.52 -0.49 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2i7k h GLU 66 Cb 0.63 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2i7k h GLU 66 CO -0.30 1.14 -0.05 0.93 -0.73 0.00 0.00 179.01 180.01 2i7k h GLU 67 N 0.76 0.19 -0.26 1.92 5.08 -1.58 -0.95 114.58 119.74 2i7k h GLU 67 Ca 0.06 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2i7k h GLU 67 Cb 0.96 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2i7k h GLU 67 CO 0.09 0.55 -0.30 1.37 -1.00 0.00 0.00 179.01 179.72 2i7k h LEU 68 N -0.18 0.55 -0.18 1.33 8.10 -0.47 -2.55 115.31 121.92 2i7k h LEU 68 Ca 0.02 -0.21 -0.06 0.00 0.11 0.00 0.00 57.88 57.74 2i7k h LEU 68 Cb 0.50 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2i7k h LEU 68 CO 0.01 0.83 -0.11 0.50 -4.11 0.00 0.00 178.44 175.57 2i7k h LYS 69 N 0.47 0.38 -0.83 0.17 3.64 -1.10 -1.93 116.57 117.37 2i7k h LYS 69 Ca 0.06 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2i7k h LYS 69 Cb 0.76 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 2i7k h LYS 69 CO 0.06 0.71 0.54 0.22 -2.27 0.00 0.00 179.45 178.70 2i7k h ASP 70 N 0.05 0.89 -0.06 4.20 1.82 -1.12 0.29 116.42 122.50 2i7k h ASP 70 Ca 0.04 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2i7k h ASP 70 Cb 0.60 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 2i7k h ASP 70 CO 0.03 0.62 0.00 0.78 -1.61 0.00 0.00 179.24 179.06 2i7k h ASN 71 N 1.05 0.10 -0.36 2.28 4.21 -1.42 0.34 115.58 121.78 2i7k h ASN 71 Ca 0.33 -0.30 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 2i7k h ASN 71 Cb -0.01 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 2i7k h ASN 71 CO -0.11 0.38 0.11 0.15 -1.29 0.00 0.00 177.43 176.67 2i7k h PHE 72 N -0.18 0.58 -0.33 1.19 3.57 -1.13 -2.54 116.94 118.10 2i7k h PHE 72 Ca 0.02 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 2i7k h PHE 72 Cb 0.32 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2i7k h PHE 72 CO 0.03 0.56 -0.17 -0.22 -2.23 0.00 0.00 178.31 176.29 2i7k h LYS 73 N 0.43 0.60 -0.41 1.11 3.11 -0.42 -2.48 116.57 118.51 2i7k h LYS 73 Ca 0.11 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 2i7k h LYS 73 Cb 0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.42 2i7k h LYS 73 CO -0.00 0.74 0.26 -0.07 -2.81 0.00 0.00 179.45 177.57 2i7k h LEU 74 N 0.54 0.47 -0.53 5.20 3.38 -0.06 0.21 115.31 124.53 2i7k h LEU 74 Ca 0.09 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2i7k h LEU 74 Cb 0.59 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2i7k h LEU 74 CO 0.04 0.36 -0.02 -0.03 0.09 0.00 0.00 178.44 178.87 2i7k h MET 75 N 0.55 0.94 -0.16 1.13 4.05 -1.12 0.44 114.93 120.76 2i7k h MET 75 Ca 0.15 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 2i7k h MET 75 Cb -0.05 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 2i7k h MET 75 CO -0.03 0.97 0.04 0.00 0.23 0.00 0.00 176.91 178.13 2i7k h THR 77 N 0.07 1.28 -0.30 0.00 2.02 -0.54 -1.47 112.91 113.97 2i7k h THR 77 Ca 0.05 -1.61 -0.15 0.00 0.77 0.00 0.00 66.41 65.47 2i7k h THR 77 Cb 0.24 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2i7k h THR 77 CO -0.00 0.53 -0.43 0.78 0.37 0.00 0.00 175.52 176.77 2i7k h ASN 78 N 0.69 0.82 -0.33 4.18 2.35 -0.05 -1.55 115.58 121.69 2i7k h ASN 78 Ca 0.05 -0.39 -0.13 0.00 -0.55 0.00 0.00 56.30 55.28 2i7k h ASN 78 Cb 1.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2i7k h ASN 78 CO 0.10 1.13 -0.32 0.00 -1.65 0.00 0.00 177.43 176.70 2i7k h ALA 79 N 0.90 0.48 -0.36 -0.83 0.00 0.03 -2.55 119.26 116.94 2i7k h ALA 79 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2i7k h ALA 79 Cb 0.99 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2i7k h ALA 79 CO 0.09 0.53 -0.28 0.00 0.00 0.00 0.00 179.25 179.59 2i7k h MET 80 N 0.58 0.75 -0.51 0.00 -0.00 -1.24 -2.06 114.93 112.45 2i7k h MET 80 Ca 0.05 -0.33 -0.07 0.00 -0.00 0.00 0.00 59.70 59.36 2i7k h MET 80 Cb 0.89 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.45 2i7k h MET 80 CO 0.08 0.94 0.06 0.97 -0.00 0.00 0.00 176.91 178.96 2i7k h ILE 81 N 0.64 1.26 -0.64 -0.10 6.09 -1.26 -2.70 117.51 120.80 2i7k h ILE 81 Ca 0.08 -0.99 -0.26 0.00 -1.37 0.00 0.00 64.86 62.32 2i7k h ILE 81 Cb 0.80 0.90 -0.15 0.00 0.47 0.00 0.00 36.82 38.84 2i7k h ILE 81 CO 0.07 0.35 0.33 0.00 -3.07 0.00 0.00 178.15 175.82 2i7k n TYR 82 N -4.37 2.06 -3.20 2.19 9.36 -0.97 -4.64 117.16 117.59 2i7k n TYR 82 Ca 0.01 -1.18 0.02 0.00 3.32 0.00 0.00 57.90 60.07 2i7k n TYR 82 Cb 0.28 -0.65 -0.01 0.00 -0.63 0.00 0.00 39.34 38.33 2i7k n TYR 82 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2i7k s ASN 83 N -0.67 -1.55 0.91 2.98 2.47 -0.78 -4.99 114.94 113.31 2i7k s ASN 83 Ca 0.42 -0.61 -0.11 0.00 0.42 0.00 0.00 52.86 52.98 2i7k s ASN 83 Cb 0.34 1.98 0.14 0.00 -1.45 0.00 0.00 41.25 42.26 2i7k s ASN 83 CO 0.09 -0.19 1.09 -0.54 -3.72 0.00 0.00 177.10 173.84 2i7k s LYS 84 N 2.02 1.10 -0.72 0.43 3.01 -1.26 -4.58 119.74 119.75 2i7k s LYS 84 Ca 0.15 1.00 -0.27 0.00 -1.01 0.00 0.00 55.97 55.83 2i7k s LYS 84 Cb -0.05 -1.78 -0.26 0.00 -1.01 0.00 0.00 37.83 34.73 2i7k s LYS 84 CO -0.10 -2.40 1.91 -0.35 0.51 0.00 0.00 175.35 174.91 2i7k n PRO 85 N -4.02 0.37 -0.04 -1.68 -0.04 -1.26 -4.56 135.00 123.78 2i7k n PRO 85 Ca 0.08 -1.59 -0.01 0.00 -0.04 0.00 0.00 63.50 61.94 2i7k n PRO 85 Cb 0.54 -3.37 -0.00 0.00 -0.04 0.00 0.00 33.50 30.63 2i7k n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2i7k h GLU 86 N 10.57 0.00 0.00 0.54 3.07 -1.99 -3.50 114.58 123.28 2i7k h GLU 86 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2i7k h GLU 86 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 2i7k h GLU 86 CO 1.45 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 179.31 2i7k n THR 87 N -3.99 0.00 0.38 1.13 -2.24 -1.26 -5.02 114.28 103.28 2i7k n THR 87 Ca -0.02 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.80 2i7k n THR 87 Cb 0.07 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 2i7k n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i7k n ILE 88 N 0.00 0.00 -0.10 2.28 0.13 -1.26 -4.61 119.36 115.81 2i7k n ILE 88 Ca 0.00 -0.31 -0.08 0.00 -1.10 0.00 0.00 62.75 61.26 2i7k n ILE 88 Cb 0.00 1.00 -0.00 0.00 -0.84 0.00 0.00 39.64 39.80 2i7k n ILE 88 CO 0.00 0.00 0.00 1.88 2.80 0.00 0.00 176.55 181.23 2i7k h TYR 89 N 0.03 0.36 -0.12 9.51 -1.99 -1.95 0.47 116.97 123.28 2i7k h TYR 89 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2i7k h TYR 89 Cb 0.20 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 38.81 2i7k h TYR 89 CO 0.00 0.21 0.02 -0.92 -0.00 0.00 0.00 178.16 177.47 2i7k h TYR 90 N 0.39 0.21 -0.42 4.88 3.20 -1.81 -2.51 116.97 120.90 2i7k h TYR 90 Ca 0.13 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2i7k h TYR 90 Cb 0.01 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2i7k h TYR 90 CO -0.08 0.39 -0.02 0.87 -1.64 0.00 0.00 178.16 177.68 2i7k h LYS 91 N -0.04 0.69 -0.38 1.82 1.57 -1.78 -2.55 116.57 115.92 2i7k h LYS 91 Ca 0.04 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2i7k h LYS 91 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2i7k h LYS 91 CO 0.00 0.73 0.24 0.00 -0.57 0.00 0.00 179.45 179.84 2i7k h ALA 92 N 1.33 0.48 -0.56 3.86 0.00 0.04 -0.13 119.26 124.27 2i7k h ALA 92 Ca 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2i7k h ALA 92 Cb 0.44 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2i7k h ALA 92 CO 0.02 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.48 2i7k h ALA 93 N 1.12 0.73 -0.55 0.00 0.00 -1.28 -1.91 119.26 117.36 2i7k h ALA 93 Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2i7k h ALA 93 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2i7k h ALA 93 CO -0.03 0.31 0.22 0.87 0.00 0.00 0.00 179.25 180.62 2i7k h LYS 94 N 0.76 0.83 -0.44 0.00 1.57 -1.19 -1.35 116.57 116.75 2i7k h LYS 94 Ca 0.19 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2i7k h LYS 94 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2i7k h LYS 94 CO -0.02 0.72 0.27 -0.22 -0.57 0.00 0.00 179.45 179.64 2i7k h LYS 95 N 0.76 0.60 -0.61 3.15 1.63 -0.81 -2.00 116.57 119.29 2i7k h LYS 95 Ca 0.18 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.87 2i7k h LYS 95 Cb 0.21 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2i7k h LYS 95 CO -0.01 0.43 0.16 1.25 -3.45 0.00 0.00 179.45 177.83 2i7k h LEU 96 N 0.59 0.92 -0.49 5.20 7.12 -1.19 -1.71 115.31 125.75 2i7k h LEU 96 Ca 0.16 -0.23 0.02 0.00 0.13 0.00 0.00 57.88 57.96 2i7k h LEU 96 Cb -0.01 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 39.84 2i7k h LEU 96 CO -0.03 0.91 0.29 0.25 -0.13 0.00 0.00 178.44 179.73 2i7k h LEU 97 N 0.89 0.47 -0.39 2.25 6.46 -0.98 0.20 115.31 124.20 2i7k h LEU 97 Ca 0.19 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 2i7k h LEU 97 Cb 0.34 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2i7k h LEU 97 CO 0.00 0.33 0.02 0.45 -0.62 0.00 0.00 178.44 178.63 2i7k h HIS 98 N 0.58 0.74 -0.20 1.25 3.86 -1.22 -1.77 115.15 118.39 2i7k h HIS 98 Ca 0.20 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2i7k h HIS 98 Cb 0.03 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2i7k h HIS 98 CO -0.07 0.74 0.02 0.66 0.86 0.00 0.00 177.93 180.15 2i7k h SER 99 N 0.51 0.33 -0.33 2.45 4.64 -1.02 -2.34 113.55 117.78 2i7k h SER 99 Ca 0.11 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2i7k h SER 99 Cb 0.43 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2i7k h SER 99 CO 0.02 0.52 0.17 1.23 -0.87 0.00 0.00 176.83 177.89 2i7k h GLY 100 N 0.12 0.45 1.13 -0.77 0.00 -0.60 -2.05 103.07 101.36 2i7k h GLY 100 Ca 0.06 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.31 2i7k h GLY 100 CO 0.01 0.10 0.47 -0.33 0.00 0.00 0.00 176.54 176.79 2i7k h MET 101 N 0.35 0.81 -0.29 4.80 2.86 -1.29 -1.82 114.93 120.35 2i7k h MET 101 Ca 0.14 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2i7k h MET 101 Cb 0.05 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2i7k h MET 101 CO -0.09 0.53 0.17 -0.22 1.06 0.00 0.00 176.91 178.36 2i7k h LYS 102 N 0.83 0.39 -0.71 1.72 3.11 -0.81 -2.44 116.57 118.66 2i7k h LYS 102 Ca 0.30 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 58.06 2i7k h LYS 102 Cb 0.13 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.24 2i7k h LYS 102 CO -0.09 0.31 0.29 0.82 -2.81 0.00 0.00 179.45 177.96 2i7k h ILE 103 N 0.36 1.24 0.00 2.00 1.08 -0.94 -1.99 117.51 119.26 2i7k h ILE 103 Ca 0.10 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 2i7k h ILE 103 Cb 0.02 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 2i7k h ILE 103 CO -0.02 0.30 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.62 2i7k h LEU 104 N 1.02 0.00 -2.51 1.44 3.38 -0.97 -1.60 115.31 116.07 2i7k h LEU 104 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2i7k h LEU 104 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2i7k h LEU 104 CO -0.02 0.06 0.06 -1.20 0.09 0.00 0.00 178.44 177.43 2i7k n SER 105 N -3.82 3.54 -0.08 -0.43 7.64 -0.75 -3.96 113.62 115.76 2i7k n SER 105 Ca -0.03 -2.57 -0.10 0.00 1.01 0.00 0.00 58.87 57.19 2i7k n SER 105 Cb 0.15 -0.62 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 2i7k n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i7k n GLN 106 N 0.21 0.73 0.08 1.43 6.02 -0.60 -4.32 117.38 120.93 2i7k n GLN 106 Ca 0.18 0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 57.12 2i7k n GLN 106 Cb 0.83 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 30.71 2i7k n GLN 106 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2i7k h GLU 107 N 0.00 0.30 -1.03 -1.09 3.07 -1.69 -3.25 114.58 110.89 2i7k h GLU 107 Ca -0.35 -0.36 -0.50 0.00 -0.50 0.00 0.00 59.36 57.65 2i7k h GLU 107 Cb 1.60 0.11 -0.27 0.00 -0.84 0.00 0.00 28.75 29.35 2i7k h GLU 107 CO -0.04 1.08 0.63 0.54 -1.40 0.00 0.00 179.01 179.82 2i7k n ARG 108 N -3.66 2.21 -0.06 2.33 1.74 -1.26 -4.49 116.66 113.47 2i7k n ARG 108 Ca -0.06 -2.73 -0.05 0.00 -0.77 0.00 0.00 57.85 54.24 2i7k n ARG 108 Cb 0.87 -2.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 -0.89 1.31 0.01 0.55 -0.00 -1.23 -5.02 117.00 111.74 2i7k n LEU 109 Ca 0.54 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.88 2i7k n LEU 109 Cb 1.33 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 2i7k n LEU 109 CO 0.58 -0.39 0.00 1.21 -0.00 0.00 0.00 177.39 178.79 2i7k n GLU 110 N -3.87 0.00 -4.38 1.96 2.13 -1.26 -5.13 120.64 110.09 2i7k n GLU 110 Ca -0.08 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.55 2i7k n GLU 110 Cb 0.30 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.90 2i7k n GLU 110 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2i7k s HIS 111 N -1.13 1.73 0.82 4.31 2.46 -1.26 -5.13 115.29 117.09 2i7k s HIS 111 Ca 0.00 -0.95 -0.12 0.00 0.47 0.00 0.00 55.06 54.46 2i7k s HIS 111 Cb 0.00 -1.05 0.09 0.00 -0.13 0.00 0.00 32.58 31.49 2i7k s HIS 111 CO 0.00 -0.04 1.16 -1.58 -2.47 0.00 0.00 174.74 171.81 2i7k s HIS 112 N -3.39 1.95 0.00 3.88 2.46 -1.26 -4.94 115.29 113.99 2i7k s HIS 112 Ca 0.33 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.54 2i7k s HIS 112 Cb 0.07 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 29.17 2i7k s HIS 112 CO 0.12 -2.56 0.00 0.72 -2.47 0.00 0.00 174.74 170.55 2i7k n HIS 113 N -3.50 -2.74 -0.68 3.88 8.25 -1.26 -5.04 115.22 114.14 2i7k n HIS 113 Ca 0.12 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.66 2i7k n HIS 113 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.09 -1.80 -4.37 4.41 8.25 -1.26 -5.06 115.22 114.28 2i7k n HIS 114 Ca 0.00 0.99 -0.18 0.00 -0.26 0.00 0.00 57.72 58.26 2i7k n HIS 114 Cb 0.00 -1.64 -0.05 0.00 1.12 0.00 0.00 29.99 29.42 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 -3.16 0.20 0.45 4.41 1.44 -1.26 -5.26 115.22 112.05 2i7k n HIS 115 Ca -0.04 -1.81 0.04 0.00 -2.01 0.00 0.00 57.72 53.90 2i7k n HIS 115 Cb 0.32 -0.04 0.21 0.00 0.12 0.00 0.00 29.99 30.61 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25