#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7k n GLU 1 N 0.00 3.15 -1.15 0.03 0.28 -1.26 -4.68 120.64 117.00 2i7k n GLU 1 Ca 0.00 -3.76 -0.24 0.00 -0.16 0.00 0.00 57.16 53.00 2i7k n GLU 1 Cb 0.00 -2.28 0.14 0.00 1.43 0.00 0.00 31.44 30.73 2i7k n GLU 1 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2i7k n GLU 2 N -0.79 2.23 -0.00 3.44 1.02 -1.26 -4.18 120.64 121.10 2i7k n GLU 2 Ca 0.53 -2.81 0.07 0.00 -0.02 0.00 0.00 57.16 54.92 2i7k n GLU 2 Cb 0.78 -2.10 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.94 0.00 -0.41 2.62 0.24 -1.26 -4.48 118.33 114.09 2i7k n VAL 3 Ca 0.55 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 62.48 2i7k n VAL 3 Cb 1.37 0.43 0.16 0.00 -1.47 0.00 0.00 33.84 34.34 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 -1.77 2.36 0.02 7.34 1.02 -1.26 -4.05 120.64 124.30 2i7k n GLU 4 Ca -0.01 -2.02 0.11 0.00 -0.02 0.00 0.00 57.16 55.22 2i7k n GLU 4 Cb 0.31 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 29.80 2i7k n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2i7k n GLN 5 N -0.29 0.46 -0.12 3.49 6.02 -1.26 -4.41 117.38 121.26 2i7k n GLN 5 Ca 0.33 -0.07 -0.04 0.00 -0.01 0.00 0.00 57.00 57.21 2i7k n GLN 5 Cb 1.16 -1.59 0.02 0.00 1.02 0.00 0.00 30.24 30.86 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 0.00 0.63 -0.83 5.09 2.02 -1.91 -1.51 112.91 116.40 2i7k h THR 6 Ca 0.00 -0.02 0.16 0.00 0.77 0.00 0.00 66.41 67.32 2i7k h THR 6 Cb 0.86 0.58 -0.10 0.00 -1.74 0.00 0.00 68.15 67.75 2i7k h THR 6 CO 0.00 0.01 0.39 -0.65 0.37 0.00 0.00 175.52 175.64 2i7k h PRO 7 N 0.04 0.51 -0.30 6.66 0.11 -1.90 0.05 132.00 137.17 2i7k h PRO 7 Ca 0.20 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 2i7k h PRO 7 Cb 0.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2i7k h PRO 7 CO -0.39 0.34 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.58 2i7k h LEU 8 N 0.53 0.61 -1.47 2.35 4.07 -1.64 -2.96 115.31 116.80 2i7k h LEU 8 Ca 0.47 -0.38 0.02 0.00 0.08 0.00 0.00 57.88 58.07 2i7k h LEU 8 Cb 0.72 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 2i7k h LEU 8 CO -0.41 0.85 0.38 -0.61 -1.08 0.00 0.00 178.44 177.57 2i7k h GLN 9 N 0.36 0.68 -0.34 1.13 4.15 -0.27 -2.31 115.11 118.52 2i7k h GLN 9 Ca 0.07 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2i7k h GLN 9 Cb 0.59 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2i7k h GLN 9 CO 0.03 0.45 0.21 1.49 -1.93 0.00 0.00 178.83 179.09 2i7k h GLU 10 N 0.70 0.46 -0.67 1.69 4.81 -0.87 -2.33 114.58 118.36 2i7k h GLU 10 Ca 0.22 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2i7k h GLU 10 Cb 0.02 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2i7k h GLU 10 CO -0.06 0.34 0.24 0.00 -0.73 0.00 0.00 179.01 178.81 2i7k h ALA 11 N 1.09 1.16 -0.45 2.92 0.00 -1.34 -2.42 119.26 120.22 2i7k h ALA 11 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2i7k h ALA 11 Cb -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2i7k h ALA 11 CO -0.02 0.59 0.28 -0.07 0.00 0.00 0.00 179.25 180.03 2i7k h LEU 12 N 0.98 0.46 -1.05 0.00 4.07 -1.04 -1.78 115.31 116.95 2i7k h LEU 12 Ca 0.22 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.09 2i7k h LEU 12 Cb 0.23 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2i7k h LEU 12 CO -0.02 0.33 -0.33 -0.55 -1.08 0.00 0.00 178.44 176.80 2i7k h ASN 13 N 0.56 0.27 -0.21 -0.43 7.08 -1.24 -1.57 115.58 120.04 2i7k h ASN 13 Ca 0.18 -0.10 -0.02 0.00 -3.08 0.00 0.00 56.30 53.28 2i7k h ASN 13 Cb -0.01 -0.07 -0.01 0.00 -2.08 0.00 0.00 38.32 36.14 2i7k h ASN 13 CO -0.07 0.59 0.06 -0.61 -2.08 0.00 0.00 177.43 175.32 2i7k h GLN 14 N 0.24 0.34 -0.48 4.14 5.75 -0.93 0.23 115.11 124.40 2i7k h GLN 14 Ca 0.03 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.34 2i7k h GLN 14 Cb 0.69 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2i7k h GLN 14 CO 0.05 0.45 -0.16 -0.07 -2.65 0.00 0.00 178.83 176.45 2i7k h LEU 15 N 0.16 0.93 -0.66 -2.39 4.07 -1.26 -2.54 115.31 113.62 2i7k h LEU 15 Ca 0.07 -0.32 -0.09 0.00 0.08 0.00 0.00 57.88 57.62 2i7k h LEU 15 Cb 0.26 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2i7k h LEU 15 CO -0.00 1.08 0.05 0.24 -1.08 0.00 0.00 178.44 178.72 2i7k h MET 16 N 0.81 1.09 -0.41 1.13 2.86 -1.13 0.24 114.93 119.51 2i7k h MET 16 Ca 0.12 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2i7k h MET 16 Cb 0.70 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2i7k h MET 16 CO 0.05 1.03 0.27 0.00 1.06 0.00 0.00 176.91 179.33 2i7k h ARG 17 N 1.01 0.54 -0.42 1.72 2.47 -0.36 0.25 114.38 119.59 2i7k h ARG 17 Ca 0.19 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.74 2i7k h ARG 17 Cb 0.51 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2i7k h ARG 17 CO 0.02 0.36 -0.27 1.96 0.56 0.00 0.00 179.97 182.60 2i7k h GLN 18 N 0.56 0.89 -0.38 0.04 4.20 -1.31 -1.31 115.11 117.80 2i7k h GLN 18 Ca 0.15 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 2i7k h GLN 18 Cb -0.06 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2i7k h GLN 18 CO -0.03 1.05 0.18 1.25 -0.67 0.00 0.00 178.83 180.60 2i7k h LEU 19 N 0.76 0.49 -0.83 1.46 6.46 -0.50 -2.03 115.31 121.12 2i7k h LEU 19 Ca 0.09 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.62 2i7k h LEU 19 Cb 0.83 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2i7k h LEU 19 CO 0.07 0.48 -0.21 1.56 -0.62 0.00 0.00 178.44 179.72 2i7k h GLN 20 N 0.47 0.65 0.00 1.25 1.08 -0.45 -2.71 115.11 115.40 2i7k h GLN 20 Ca 0.13 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2i7k h GLN 20 Cb 0.12 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2i7k h GLN 20 CO -0.02 0.81 0.00 -0.09 -0.95 0.00 0.00 178.83 178.58 2i7k h ARG 21 N 0.58 0.00 0.00 1.46 2.43 -0.96 -3.36 114.38 114.53 2i7k h ARG 21 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2i7k h ARG 21 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2i7k h ARG 21 CO 0.05 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 179.68 2i7k n LYS 22 N -2.53 0.00 0.00 0.20 0.00 -0.79 -4.96 118.16 110.08 2i7k n LYS 22 Ca 0.02 0.84 0.00 0.00 0.00 0.00 0.00 58.31 59.17 2i7k n LYS 22 Cb 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 33.87 2i7k n LYS 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2i7k n ASP 23 N -2.56 0.00 0.32 3.14 2.03 -1.26 -4.96 116.55 113.25 2i7k n ASP 23 Ca 0.00 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.52 2i7k n ASP 23 Cb 0.00 0.00 1.04 0.00 -0.72 0.00 0.00 41.12 41.44 2i7k n ASP 23 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2i7k h PRO 24 N 0.00 0.00 -0.12 -0.67 0.13 -1.88 -2.61 132.00 126.85 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 0.00 -0.01 0.77 -0.23 0.00 0.00 178.00 178.53 2i7k h SER 25 N 0.00 0.14 -0.73 1.44 0.02 -1.82 -2.34 113.55 110.27 2i7k h SER 25 Ca 0.00 -0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.15 2i7k h SER 25 Cb 0.17 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2i7k h SER 25 CO 0.00 0.19 0.54 0.00 -1.14 0.00 0.00 176.83 176.42 2i7k h ALA 26 N 1.83 2.67 0.05 3.77 0.00 -1.65 0.59 119.26 126.52 2i7k h ALA 26 Ca 0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 2i7k h ALA 26 Cb 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2i7k h ALA 26 CO 0.00 -0.91 -1.32 0.74 0.00 0.00 0.00 179.25 177.77 2i7k h PHE 27 N 0.00 0.18 -0.44 0.00 -1.00 -1.65 -3.33 116.94 110.70 2i7k h PHE 27 Ca 0.35 -0.13 -0.24 0.00 2.81 0.00 0.00 57.97 60.75 2i7k h PHE 27 Cb 1.41 -0.01 -0.14 0.00 3.61 0.00 0.00 35.95 40.82 2i7k h PHE 27 CO 0.00 1.14 -0.03 1.19 -1.61 0.00 0.00 178.31 179.00 2i7k n PHE 28 N -3.34 1.37 -0.99 -0.55 3.72 0.09 -4.62 117.46 113.15 2i7k n PHE 28 Ca -0.09 -1.71 -0.11 0.00 -0.05 0.00 0.00 57.45 55.49 2i7k n PHE 28 Cb 1.00 -0.55 0.26 0.00 -0.94 0.00 0.00 39.48 39.24 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 -1.11 4.43 -3.74 4.37 2.88 0.18 -2.44 113.62 118.20 2i7k n SER 29 Ca 0.37 -3.27 -0.14 0.00 -1.33 0.00 0.00 58.87 54.50 2i7k n SER 29 Cb 1.08 -0.77 -0.09 0.00 -0.75 0.00 0.00 64.21 63.68 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 -2.95 -0.27 -0.12 0.66 0.40 -1.26 -4.33 117.98 110.10 2i7k s PHE 30 Ca 0.53 0.52 -0.29 0.00 -0.60 0.00 0.00 56.93 57.09 2i7k s PHE 30 Cb 0.43 0.13 -0.06 0.00 0.51 0.00 0.00 43.02 44.04 2i7k s PHE 30 CO 0.12 -0.36 1.88 -1.25 0.70 0.00 0.00 175.22 176.32 2i7k s PRO 31 N -0.93 3.79 0.62 0.24 0.04 -1.26 -4.76 135.00 132.75 2i7k s PRO 31 Ca -0.10 2.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 2i7k s PRO 31 Cb -0.04 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 2i7k s PRO 31 CO 0.04 -1.33 1.12 1.33 0.04 0.00 0.00 177.00 178.20 2i7k n VAL 32 N 6.34 4.26 -3.24 -0.36 0.24 -1.26 -4.94 118.33 119.37 2i7k n VAL 32 Ca 0.22 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2i7k n VAL 32 Cb 0.43 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 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 -1.80 0.00 1.09 3.34 -1.04 -1.26 -4.89 114.28 109.72 2i7k n THR 33 Ca 0.15 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.26 2i7k n THR 33 Cb 0.48 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.55 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 -1.28 0.00 -0.00 8.00 -0.08 -1.26 -1.75 116.55 120.18 2i7k n ASP 34 Ca 0.00 -0.17 -0.01 0.00 -1.51 0.00 0.00 54.79 53.10 2i7k n ASP 34 Cb 0.00 -0.22 -0.00 0.00 2.34 0.00 0.00 41.12 43.24 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 -1.22 0.00 -0.21 -0.67 -0.00 -1.26 -4.73 117.46 109.37 2i7k n PHE 35 Ca 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.50 2i7k n PHE 35 Cb 0.15 -0.03 0.09 0.00 -0.00 0.00 0.00 39.48 39.69 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 1.26 -3.25 -2.13 5.03 -1.93 -3.43 117.51 113.05 2i7k h ILE 36 Ca -0.02 -0.97 -0.64 0.00 -0.12 0.00 0.00 64.86 63.12 2i7k h ILE 36 Cb 1.02 0.61 -0.14 0.00 -3.03 0.00 0.00 36.82 35.28 2i7k h ILE 36 CO -0.01 0.36 -0.71 0.00 -0.68 0.00 0.00 178.15 177.12 2i7k s ALA 37 N -5.23 3.04 -2.00 1.87 0.00 -0.71 -4.81 121.76 113.90 2i7k s ALA 37 Ca -0.11 -1.32 0.18 0.00 0.00 0.00 0.00 51.96 50.70 2i7k s ALA 37 Cb 0.15 -0.90 1.06 0.00 0.00 0.00 0.00 23.12 23.43 2i7k s ALA 37 CO 0.84 0.57 1.63 -0.35 0.00 0.00 0.00 175.76 178.44 2i7k n PRO 38 N 0.33 0.92 0.00 0.00 -0.05 -1.26 -4.52 135.00 130.42 2i7k n PRO 38 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.33 2i7k n PRO 38 Cb 0.54 -1.30 0.00 0.00 -0.05 0.00 0.00 33.50 32.69 2i7k n PRO 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2i7k n GLY 39 N 0.68 0.05 0.13 0.55 0.00 -1.26 -5.03 105.19 100.31 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 -0.14 0.00 1.61 -1.99 -1.84 -1.14 116.97 113.48 2i7k h TYR 40 Ca 0.00 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 2i7k h TYR 40 Cb 0.00 0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 2i7k h TYR 40 CO 0.00 -0.12 -0.28 1.03 -0.00 0.00 0.00 178.16 178.80 2i7k h SER 41 N 0.01 0.00 1.30 3.88 0.87 -1.86 0.73 113.55 118.48 2i7k h SER 41 Ca 0.14 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2i7k h SER 41 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2i7k h SER 41 CO -0.29 0.28 -0.18 -0.03 -0.53 0.00 0.00 176.83 176.08 2i7k h MET 42 N 0.00 0.00 0.00 2.24 -1.53 -1.63 -3.34 114.93 110.67 2i7k h MET 42 Ca -0.00 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.11 2i7k h MET 42 Cb 0.54 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.57 2i7k h MET 42 CO 0.04 0.18 -1.54 1.51 0.14 0.00 0.00 176.91 177.24 2i7k n ILE 43 N -3.23 0.54 -3.71 1.77 0.13 -0.69 -4.96 119.36 109.20 2i7k n ILE 43 Ca 0.01 -0.31 -0.26 0.00 -1.10 0.00 0.00 62.75 61.09 2i7k n ILE 43 Cb 0.48 -0.80 -0.17 0.00 -0.84 0.00 0.00 39.64 38.31 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 -2.19 0.31 0.08 9.51 1.09 0.25 -5.06 121.20 125.20 2i7k s ILE 44 Ca -0.05 -0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 59.02 2i7k s ILE 44 Cb 0.02 -0.77 -0.08 0.00 -1.06 0.00 0.00 42.46 40.58 2i7k s ILE 44 CO 0.31 -0.10 1.36 0.11 -0.10 0.00 0.00 174.94 176.52 2i7k h LYS 45 N 8.31 -0.31 -4.20 2.79 6.56 -1.76 -3.28 116.57 124.69 2i7k h LYS 45 Ca -0.16 0.02 -0.66 0.00 -1.06 0.00 0.00 60.65 58.79 2i7k h LYS 45 Cb 1.13 0.07 -0.40 0.00 -0.57 0.00 0.00 32.23 32.46 2i7k h LYS 45 CO 0.30 -0.21 -0.65 -1.01 -2.06 0.00 0.00 179.45 175.82 2i7k s HIS 46 N -4.76 3.55 0.14 -1.35 3.76 -1.26 -4.77 115.29 110.60 2i7k s HIS 46 Ca -0.10 -2.99 0.02 0.00 -0.15 0.00 0.00 55.06 51.84 2i7k s HIS 46 Cb 0.05 -2.94 -0.09 0.00 1.11 0.00 0.00 32.58 30.71 2i7k s HIS 46 CO 0.40 -0.88 1.32 -1.00 -0.85 0.00 0.00 174.74 173.73 2i7k h PRO 47 N 7.27 0.18 -5.74 8.40 0.13 -1.91 -3.46 132.00 136.87 2i7k h PRO 47 Ca -0.06 -0.23 -0.11 0.00 -0.87 0.00 0.00 66.00 64.73 2i7k h PRO 47 Cb 0.98 0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.19 2i7k h PRO 47 CO 0.60 1.01 -0.85 -1.33 -0.23 0.00 0.00 178.00 177.20 2i7k n MET 48 N -3.59 -2.22 -1.27 0.86 2.81 -1.26 -2.67 117.12 109.79 2i7k n MET 48 Ca -0.04 1.90 -0.29 0.00 -1.81 0.00 0.00 57.70 57.46 2i7k n MET 48 Cb 0.87 -4.07 0.19 0.00 -0.71 0.00 0.00 33.22 29.50 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 -1.93 2.27 0.41 7.83 1.11 -1.26 -4.38 116.67 120.72 2i7k s ASP 49 Ca 0.21 0.90 0.10 0.00 0.18 0.00 0.00 52.55 53.94 2i7k s ASP 49 Cb -0.04 -1.38 0.86 0.00 1.07 0.00 0.00 42.92 43.43 2i7k s ASP 49 CO 0.71 -3.32 1.97 -0.26 1.18 0.00 0.00 175.17 175.46 2i7k h PHE 50 N -2.02 0.26 -0.18 4.23 0.04 -1.79 -1.33 116.94 116.14 2i7k h PHE 50 Ca -0.50 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.07 2i7k h PHE 50 Cb 1.32 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 39.39 2i7k h PHE 50 CO -0.54 0.31 -0.59 1.03 -0.60 0.00 0.00 178.31 177.92 2i7k h SER 51 N 0.25 0.84 -0.12 2.17 0.87 -1.76 -2.02 113.55 113.78 2i7k h SER 51 Ca 0.06 -0.59 -0.02 0.00 -1.23 0.00 0.00 61.79 60.01 2i7k h SER 51 Cb 0.26 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2i7k h SER 51 CO 0.01 1.29 0.01 0.74 -0.53 0.00 0.00 176.83 178.35 2i7k h THR 52 N 0.43 1.23 -0.83 2.23 2.02 -1.82 -2.40 112.91 113.78 2i7k h THR 52 Ca -0.02 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2i7k h THR 52 Cb 1.21 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 69.09 2i7k h THR 52 CO 0.13 0.21 0.47 0.00 0.37 0.00 0.00 175.52 176.70 2i7k h MET 53 N -0.05 1.15 -0.59 6.66 3.00 -1.32 -1.90 114.93 121.88 2i7k h MET 53 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 59.70 59.63 2i7k h MET 53 Cb 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 31.60 31.65 2i7k h MET 53 CO 0.00 0.83 0.36 0.87 0.00 0.00 0.00 176.91 178.98 2i7k h LYS 54 N 1.15 0.69 -0.71 -0.10 1.79 -1.27 0.14 116.57 118.27 2i7k h LYS 54 Ca 0.30 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.68 2i7k h LYS 54 Cb 0.00 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 2i7k h LYS 54 CO -0.05 0.46 0.27 1.49 -1.08 0.00 0.00 179.45 180.54 2i7k h GLU 55 N 0.72 1.05 -0.53 3.15 4.81 -1.09 -2.51 114.58 120.17 2i7k h GLU 55 Ca 0.23 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2i7k h GLU 55 Cb 0.01 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2i7k h GLU 55 CO -0.09 0.86 -0.14 0.87 -0.73 0.00 0.00 179.01 179.77 2i7k h LYS 56 N 1.02 1.03 -1.00 1.92 1.79 -0.57 -2.97 116.57 117.80 2i7k h LYS 56 Ca 0.24 -0.40 0.03 0.00 -2.18 0.00 0.00 60.65 58.34 2i7k h LYS 56 Cb 0.21 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 2i7k h LYS 56 CO -0.02 1.09 0.65 0.82 -1.08 0.00 0.00 179.45 180.92 2i7k h ILE 57 N 0.91 1.18 -0.03 1.86 2.04 -0.39 -0.32 117.51 122.76 2i7k h ILE 57 Ca 0.13 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2i7k h ILE 57 Cb 0.72 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2i7k h ILE 57 CO 0.06 0.23 0.03 0.11 0.00 0.00 0.00 178.15 178.58 2i7k h LYS 58 N 1.27 0.00 -0.70 2.37 1.57 -1.29 -0.43 116.57 119.36 2i7k h LYS 58 Ca 0.39 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.06 2i7k h LYS 58 Cb -0.02 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 2i7k h LYS 58 CO -0.12 0.00 0.15 0.09 -0.57 0.00 0.00 179.45 179.00 2i7k n ASN 59 N -3.90 5.06 -1.63 0.86 3.02 -0.36 -4.89 115.26 113.43 2i7k n ASN 59 Ca -0.02 -3.03 -0.20 0.00 -0.03 0.00 0.00 54.58 51.30 2i7k n ASN 59 Cb 0.12 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 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 0.20 -5.42 -0.03 6.41 4.05 -0.17 -4.86 115.26 115.44 2i7k n ASN 60 Ca 0.33 0.41 -0.14 0.00 0.45 0.00 0.00 54.58 55.63 2i7k n ASN 60 Cb 1.26 -4.62 -0.02 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 0.84 -3.79 1.20 3.58 -1.26 -3.41 116.42 113.58 2i7k h ASP 61 Ca -0.41 -0.49 -0.66 0.00 0.42 0.00 0.00 57.03 55.89 2i7k h ASP 61 Cb 1.29 -0.24 -0.37 0.00 1.72 0.00 0.00 39.33 41.73 2i7k h ASP 61 CO 0.58 1.26 -0.80 -0.31 -2.88 0.00 0.00 179.24 177.10 2i7k s TYR 62 N -3.95 3.07 0.00 0.28 2.02 -1.25 -4.90 117.35 112.63 2i7k s TYR 62 Ca -0.09 -2.19 0.00 0.00 -0.37 0.00 0.00 57.07 54.42 2i7k s TYR 62 Cb 0.10 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2i7k s TYR 62 CO 0.88 -0.86 0.88 0.00 -1.57 0.00 0.00 175.55 174.88 2i7k n GLN 63 N 4.49 0.00 -4.51 -0.62 -0.00 -1.26 -4.68 117.38 110.79 2i7k n GLN 63 Ca -0.14 -0.77 -0.23 0.00 -0.00 0.00 0.00 57.00 55.86 2i7k n GLN 63 Cb 0.43 -0.39 -0.16 0.00 -0.00 0.00 0.00 30.24 30.12 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 -0.76 1.54 0.31 2.61 0.01 -1.26 -4.91 113.70 111.23 2i7k s SER 64 Ca 0.00 -0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.06 2i7k s SER 64 Cb 0.00 -0.57 0.68 0.00 0.21 0.00 0.00 66.02 66.34 2i7k s SER 64 CO 0.00 0.05 1.83 0.16 0.41 0.00 0.00 173.24 175.70 2i7k h ILE 65 N 5.67 0.85 -0.37 1.44 -0.00 -1.94 0.37 117.51 123.52 2i7k h ILE 65 Ca -0.33 -0.29 -0.16 0.00 -0.00 0.00 0.00 64.86 64.08 2i7k h ILE 65 Cb 1.18 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.82 37.91 2i7k h ILE 65 CO 0.48 0.16 -0.38 -0.08 -0.00 0.00 0.00 178.15 178.32 2i7k h GLU 66 N 0.85 0.90 -0.12 0.16 4.81 -1.98 -1.40 114.58 117.81 2i7k h GLU 66 Ca 0.50 -0.47 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2i7k h GLU 66 Cb 0.65 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 2i7k h GLU 66 CO -0.27 1.12 -0.10 1.49 -0.73 0.00 0.00 179.01 180.52 2i7k h GLU 67 N 0.74 0.28 -0.11 1.92 4.57 -1.57 -1.87 114.58 118.55 2i7k h GLU 67 Ca 0.06 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2i7k h GLU 67 Cb 0.97 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2i7k h GLU 67 CO 0.09 0.67 0.06 1.25 -1.18 0.00 0.00 179.01 179.90 2i7k h LEU 68 N -0.10 0.13 -0.73 1.64 5.85 -0.36 -2.40 115.31 119.34 2i7k h LEU 68 Ca 0.02 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2i7k h LEU 68 Cb 0.61 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2i7k h LEU 68 CO 0.03 0.17 0.44 0.50 -0.34 0.00 0.00 178.44 179.24 2i7k h LYS 69 N 0.08 1.00 -0.88 1.25 3.11 -1.31 -1.10 116.57 118.72 2i7k h LYS 69 Ca 0.04 -0.09 0.05 0.00 -2.81 0.00 0.00 60.65 57.84 2i7k h LYS 69 Cb 0.07 -0.21 -0.06 0.00 -1.00 0.00 0.00 32.23 31.03 2i7k h LYS 69 CO -0.01 0.71 0.56 0.22 -2.81 0.00 0.00 179.45 178.12 2i7k h ASP 70 N 1.00 0.90 -0.03 4.20 1.82 -1.16 0.22 116.42 123.38 2i7k h ASP 70 Ca 0.26 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 2i7k h ASP 70 Cb -0.03 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.79 2i7k h ASP 70 CO -0.05 0.60 -0.06 -1.13 -1.61 0.00 0.00 179.24 176.99 2i7k h ASN 71 N 1.05 0.10 -0.13 2.28 -0.00 -1.02 -1.09 115.58 116.78 2i7k h ASN 71 Ca 0.37 -0.56 -0.00 0.00 -0.00 0.00 0.00 56.30 56.11 2i7k h ASN 71 Cb 0.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.39 2i7k h ASN 71 CO -0.15 0.64 0.07 0.15 -0.00 0.00 0.00 177.43 178.15 2i7k h PHE 72 N -0.44 0.17 -0.45 0.67 3.57 -1.02 -2.46 116.94 116.97 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 0.63 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2i7k h PHE 72 CO 0.12 0.17 0.15 -0.22 -2.23 0.00 0.00 178.31 176.29 2i7k h LYS 73 N 0.12 0.66 -0.49 1.11 3.64 -0.65 -2.52 116.57 118.44 2i7k h LYS 73 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2i7k h LYS 73 Cb 0.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2i7k h LYS 73 CO -0.01 0.57 0.32 -0.07 -2.27 0.00 0.00 179.45 178.00 2i7k h LEU 74 N 0.65 0.57 -0.30 5.20 3.38 -0.77 0.87 115.31 124.91 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 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2i7k h LEU 74 CO -0.01 0.42 0.03 -0.03 0.09 0.00 0.00 178.44 178.94 2i7k h MET 75 N 0.67 0.51 -0.82 1.13 4.05 -1.19 0.22 114.93 119.50 2i7k h MET 75 Ca 0.18 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2i7k h MET 75 Cb -0.07 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 2i7k h MET 75 CO -0.04 0.63 0.54 0.00 0.23 0.00 0.00 176.91 178.27 2i7k h THR 77 N 1.12 1.42 -0.22 0.00 2.02 -0.68 -0.99 112.91 115.59 2i7k h THR 77 Ca 0.30 -1.44 -0.08 0.00 0.77 0.00 0.00 66.41 65.97 2i7k h THR 77 Cb -0.12 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2i7k h THR 77 CO -0.06 0.40 -0.20 0.78 0.37 0.00 0.00 175.52 176.80 2i7k h ASN 78 N -0.33 0.37 -0.06 4.18 2.35 -0.42 -1.80 115.58 119.87 2i7k h ASN 78 Ca 0.00 -0.11 -0.18 0.00 -0.55 0.00 0.00 56.30 55.47 2i7k h ASN 78 Cb 0.70 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.98 2i7k h ASN 78 CO 0.03 0.59 -0.65 0.00 -1.65 0.00 0.00 177.43 175.75 2i7k h ALA 79 N 1.44 0.16 -0.06 -0.83 0.00 -0.03 -2.58 119.26 117.36 2i7k h ALA 79 Ca 0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2i7k h ALA 79 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2i7k h ALA 79 CO 0.04 0.45 -0.40 0.00 0.00 0.00 0.00 179.25 179.34 2i7k h MET 80 N 0.13 0.13 -0.05 0.00 -0.00 -1.09 -1.94 114.93 112.11 2i7k h MET 80 Ca -0.06 -0.06 -0.24 0.00 -0.00 0.00 0.00 59.70 59.33 2i7k h MET 80 Cb 1.31 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.92 2i7k h MET 80 CO 0.13 0.52 -0.93 0.97 -0.00 0.00 0.00 176.91 177.60 2i7k h ILE 81 N 0.12 1.30 0.00 -0.10 6.09 -1.37 -3.14 117.51 120.40 2i7k h ILE 81 Ca 0.01 -2.19 0.00 0.00 -1.37 0.00 0.00 64.86 61.31 2i7k h ILE 81 Cb 0.76 2.25 0.00 0.00 0.47 0.00 0.00 36.82 40.30 2i7k h ILE 81 CO 0.06 0.68 0.00 0.00 -3.07 0.00 0.00 178.15 175.81 2i7k n TYR 82 N -3.86 0.00 -1.80 2.19 9.36 -0.97 -4.84 117.16 117.24 2i7k n TYR 82 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 2i7k n TYR 82 Cb 0.83 -0.40 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 2i7k n TYR 82 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2i7k n ASN 83 N -1.40 0.00 0.00 2.98 4.05 -0.74 -5.07 115.26 115.08 2i7k n ASN 83 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 2i7k n ASN 83 Cb 0.28 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.29 2i7k n ASN 83 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2i7k n LYS 84 N 0.00 0.00 -1.43 1.20 2.85 -1.26 -4.95 118.16 114.57 2i7k n LYS 84 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 2i7k n LYS 84 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 2i7k n LYS 84 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2i7k n PRO 85 N -0.14 0.42 -0.08 -1.58 -0.04 -1.26 -4.16 135.00 128.16 2i7k n PRO 85 Ca 0.00 -1.72 -0.07 0.00 -0.04 0.00 0.00 63.50 61.68 2i7k n PRO 85 Cb 0.00 -3.58 -0.02 0.00 -0.04 0.00 0.00 33.50 29.86 2i7k n PRO 85 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2i7k n GLU 86 N 8.07 0.46 0.00 0.54 0.00 -1.26 -5.03 120.64 123.43 2i7k n GLU 86 Ca 0.43 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.94 2i7k n GLU 86 Cb 0.46 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.40 2i7k n GLU 86 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2i7k n THR 87 N -4.40 0.00 -0.41 6.31 -2.24 -1.26 -5.01 114.28 107.26 2i7k n THR 87 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2i7k n THR 87 Cb 0.38 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.54 0.07 -0.04 2.28 -6.64 -1.26 -4.74 119.36 108.49 2i7k n ILE 88 Ca 0.00 -0.33 -0.13 0.00 -1.77 0.00 0.00 62.75 60.52 2i7k n ILE 88 Cb 0.00 1.32 -0.08 0.00 -1.44 0.00 0.00 39.64 39.44 2i7k n ILE 88 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 2i7k h TYR 89 N 0.00 0.31 -0.30 4.28 -1.99 -1.95 0.81 116.97 118.13 2i7k h TYR 89 Ca 0.00 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 2i7k h TYR 89 Cb 0.26 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 2i7k h TYR 89 CO 0.00 0.70 0.04 -0.92 -0.00 0.00 0.00 178.16 177.98 2i7k h TYR 90 N -0.17 0.54 -0.61 4.88 3.20 -1.87 -2.58 116.97 120.35 2i7k h TYR 90 Ca 0.01 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.71 2i7k h TYR 90 Cb 0.66 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 2i7k h TYR 90 CO 0.10 0.61 0.01 -0.22 -1.64 0.00 0.00 178.16 177.01 2i7k h LYS 91 N 0.31 1.06 -0.55 1.82 1.63 -1.85 -2.12 116.57 116.87 2i7k h LYS 91 Ca 0.09 -0.32 0.04 0.00 -0.85 0.00 0.00 60.65 59.61 2i7k h LYS 91 Cb 0.37 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 2i7k h LYS 91 CO 0.01 1.02 0.30 0.00 -3.45 0.00 0.00 179.45 177.33 2i7k h ALA 92 N 1.03 0.72 -0.40 5.00 0.00 -0.72 0.24 119.26 125.12 2i7k h ALA 92 Ca 0.17 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2i7k h ALA 92 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2i7k h ALA 92 CO 0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 179.25 179.02 2i7k h ALA 93 N 1.28 0.57 -0.09 0.00 0.00 -1.35 -1.77 119.26 117.90 2i7k h ALA 93 Ca 0.24 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2i7k h ALA 93 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2i7k h ALA 93 CO -0.15 0.56 -0.04 -0.22 0.00 0.00 0.00 179.25 179.41 2i7k h LYS 94 N 0.68 0.18 -0.17 0.00 1.63 -1.02 -1.42 116.57 116.46 2i7k h LYS 94 Ca 0.08 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2i7k h LYS 94 Cb 0.81 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 2i7k h LYS 94 CO 0.07 0.53 0.08 -0.22 -3.45 0.00 0.00 179.45 176.46 2i7k h LYS 95 N -0.17 0.25 -0.20 1.90 3.64 -0.58 -2.44 116.57 118.96 2i7k h LYS 95 Ca 0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2i7k h LYS 95 Cb 0.48 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2i7k h LYS 95 CO 0.01 0.29 -0.02 1.25 -2.27 0.00 0.00 179.45 178.71 2i7k h LEU 96 N 0.14 0.27 -0.48 5.20 5.85 -1.37 -2.46 115.31 122.46 2i7k h LEU 96 Ca 0.06 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2i7k h LEU 96 Cb 0.13 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2i7k h LEU 96 CO -0.01 0.34 0.14 0.25 -0.34 0.00 0.00 178.44 178.83 2i7k h LEU 97 N 0.28 0.71 -0.57 2.25 7.12 -0.90 0.53 115.31 124.72 2i7k h LEU 97 Ca 0.07 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.86 2i7k h LEU 97 Cb 0.24 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 2i7k h LEU 97 CO 0.01 0.73 0.36 0.45 -0.13 0.00 0.00 178.44 179.85 2i7k h HIS 98 N 0.65 0.75 -0.20 1.25 3.86 -1.00 0.30 115.15 120.75 2i7k h HIS 98 Ca 0.15 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.22 2i7k h HIS 98 Cb 0.28 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2i7k h HIS 98 CO 0.02 0.50 -0.51 1.03 0.86 0.00 0.00 177.93 179.82 2i7k h SER 99 N 0.77 0.60 -0.29 2.45 0.87 -1.23 -2.55 113.55 114.16 2i7k h SER 99 Ca 0.21 -0.30 -0.13 0.00 -1.23 0.00 0.00 61.79 60.33 2i7k h SER 99 Cb -0.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2i7k h SER 99 CO -0.04 1.00 -0.30 1.23 -0.53 0.00 0.00 176.83 178.19 2i7k h GLY 100 N 1.08 0.88 0.73 5.77 0.00 0.60 -1.49 103.07 110.64 2i7k h GLY 100 Ca 0.02 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 2i7k h GLY 100 CO 0.10 0.74 -0.02 1.98 0.00 0.00 0.00 176.54 179.34 2i7k h MET 101 N 0.69 0.20 -0.27 4.80 -1.53 -0.38 -1.43 114.93 117.01 2i7k h MET 101 Ca 0.08 -0.07 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 2i7k h MET 101 Cb 0.84 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.87 2i7k h MET 101 CO 0.07 0.49 0.11 1.57 0.14 0.00 0.00 176.91 179.29 2i7k h LYS 102 N -0.11 0.41 -0.80 0.39 5.09 -1.46 -1.40 116.57 118.69 2i7k h LYS 102 Ca 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 60.65 60.67 2i7k h LYS 102 Cb 0.41 -0.07 -0.04 0.00 0.10 0.00 0.00 32.23 32.64 2i7k h LYS 102 CO 0.01 0.44 0.41 -0.84 -2.09 0.00 0.00 179.45 177.38 2i7k h ILE 103 N 0.28 1.24 -0.19 0.07 -0.00 -1.30 -2.37 117.51 115.25 2i7k h ILE 103 Ca 0.09 -0.65 -0.09 0.00 -0.00 0.00 0.00 64.86 64.21 2i7k h ILE 103 Cb 0.19 0.19 -0.01 0.00 -0.00 0.00 0.00 36.82 37.18 2i7k h ILE 103 CO -0.01 0.28 -0.27 -0.07 -0.00 0.00 0.00 178.15 178.09 2i7k h LEU 104 N 1.13 0.36 -1.88 0.16 3.38 -1.06 -2.72 115.31 114.68 2i7k h LEU 104 Ca 0.28 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2i7k h LEU 104 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2i7k h LEU 104 CO -0.04 0.63 0.13 0.28 0.09 0.00 0.00 178.44 179.53 2i7k h SER 105 N 0.32 0.14 -0.60 -0.43 0.02 -0.70 -1.64 113.55 110.66 2i7k h SER 105 Ca 0.05 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2i7k h SER 105 Cb 0.64 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2i7k h SER 105 CO 0.05 0.10 0.40 1.56 -1.14 0.00 0.00 176.83 177.79 2i7k h GLN 106 N 0.16 0.71 -0.54 3.45 4.20 -1.43 -2.05 115.11 119.61 2i7k h GLN 106 Ca 0.08 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2i7k h GLN 106 Cb 0.13 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2i7k h GLN 106 CO -0.01 0.47 -0.11 0.93 -0.67 0.00 0.00 178.83 179.44 2i7k h GLU 107 N 0.73 1.02 -1.87 1.46 5.08 -1.43 -3.12 114.58 116.46 2i7k h GLU 107 Ca 0.23 -0.38 -0.54 0.00 -1.00 0.00 0.00 59.36 57.68 2i7k h GLU 107 Cb 0.04 -0.07 -0.20 0.00 0.50 0.00 0.00 28.75 29.02 2i7k h GLU 107 CO -0.06 1.07 0.56 2.89 -1.00 0.00 0.00 179.01 182.47 2i7k n ARG 108 N -4.14 2.41 -3.17 2.33 1.85 -0.78 -4.95 116.66 110.21 2i7k n ARG 108 Ca 0.02 -2.53 -0.39 0.00 -1.00 0.00 0.00 57.85 53.94 2i7k n ARG 108 Cb 0.40 -2.11 -0.05 0.00 -1.05 0.00 0.00 32.46 29.65 2i7k n ARG 108 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2i7k s LEU 109 N -2.62 4.29 -0.44 2.89 2.96 -1.18 -4.98 118.68 119.61 2i7k s LEU 109 Ca 0.54 1.01 0.08 0.00 -0.22 0.00 0.00 54.13 55.53 2i7k s LEU 109 Cb 0.38 -2.90 0.32 0.00 0.50 0.00 0.00 46.19 44.49 2i7k s LEU 109 CO -0.22 -0.07 0.97 -1.84 -1.32 0.00 0.00 176.35 173.87 2i7k n GLU 110 N 3.80 0.97 0.09 1.98 0.28 -1.26 -4.97 120.64 121.52 2i7k n GLU 110 Ca -0.04 -2.32 -0.07 0.00 -0.16 0.00 0.00 57.16 54.57 2i7k n GLU 110 Cb 0.51 -1.25 -0.01 0.00 1.43 0.00 0.00 31.44 32.12 2i7k n GLU 110 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2i7k h HIS 111 N 3.15 0.16 -1.07 -1.84 3.86 -2.03 -3.26 115.15 114.13 2i7k h HIS 111 Ca -0.05 -0.09 -0.54 0.00 -1.16 0.00 0.00 60.37 58.53 2i7k h HIS 111 Cb 1.05 -0.02 -0.21 0.00 1.06 0.00 0.00 27.41 29.30 2i7k h HIS 111 CO 0.33 0.92 0.63 1.58 0.86 0.00 0.00 177.93 182.25 2i7k n HIS 112 N -3.60 2.18 -2.51 2.45 -0.00 -1.26 -4.95 115.22 107.52 2i7k n HIS 112 Ca -0.02 -2.24 -0.43 0.00 -0.00 0.00 0.00 57.72 55.03 2i7k n HIS 112 Cb 0.81 -1.25 -0.02 0.00 -0.00 0.00 0.00 29.99 29.54 2i7k n HIS 112 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2i7k s HIS 113 N -2.62 3.07 -0.05 1.57 -0.00 -1.23 -4.96 115.29 111.06 2i7k s HIS 113 Ca 0.51 1.20 -0.29 0.00 -0.00 0.00 0.00 55.06 56.48 2i7k s HIS 113 Cb 0.38 -3.41 -0.07 0.00 -0.00 0.00 0.00 32.58 29.49 2i7k s HIS 113 CO -0.16 -1.21 1.92 -1.58 -0.00 0.00 0.00 174.74 173.71 2i7k s HIS 114 N 3.20 1.48 -0.14 0.38 2.46 -1.26 -4.98 115.29 116.43 2i7k s HIS 114 Ca 0.51 -0.06 -0.09 0.00 0.47 0.00 0.00 55.06 55.89 2i7k s HIS 114 Cb -0.20 -4.10 -0.05 0.00 -0.13 0.00 0.00 32.58 28.11 2i7k s HIS 114 CO 0.13 -4.72 0.17 -1.58 -2.47 0.00 0.00 174.74 166.27 2i7k s HIS 115 N 5.14 3.53 0.00 3.88 2.46 -1.26 -5.27 115.29 123.76 2i7k s HIS 115 Ca 0.86 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.89 2i7k s HIS 115 Cb -0.37 -2.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.99 2i7k s HIS 115 CO 0.37 0.52 0.00 1.58 -2.47 0.00 0.00 174.74 174.74