#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 2.23 -1.97 0.03 -6.30 -1.26 -4.72 118.70 106.71 2i7k s GLU 1 Ca 0.00 -2.35 0.00 0.00 -2.50 0.00 0.00 54.97 50.12 2i7k s GLU 1 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 34.13 32.48 2i7k s GLU 1 CO 0.00 -0.46 0.00 0.39 0.02 0.00 0.00 175.26 175.21 2i7k n GLU 2 N -1.42 -1.55 -0.03 4.30 1.02 -1.26 -4.83 120.64 116.87 2i7k n GLU 2 Ca -0.17 1.11 -0.01 0.00 -0.02 0.00 0.00 57.16 58.07 2i7k n GLU 2 Cb 0.66 -5.63 -0.07 0.00 -0.02 0.00 0.00 31.44 26.38 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 -3.26 0.41 -0.86 2.62 0.24 -1.26 -4.57 118.33 111.65 2i7k n VAL 3 Ca -0.23 -0.33 -0.21 0.00 -2.04 0.00 0.00 64.34 61.53 2i7k n VAL 3 Cb 0.68 -0.40 0.12 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.17 2.08 0.13 7.34 1.02 -1.26 -4.33 120.64 123.45 2i7k n GLU 4 Ca -0.10 -2.43 0.01 0.00 -0.02 0.00 0.00 57.16 54.61 2i7k n GLU 4 Cb 0.61 -1.95 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 2i7k n GLU 4 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2i7k h GLN 5 N 1.05 0.00 0.74 3.49 4.20 -1.99 -3.32 115.11 119.29 2i7k h GLN 5 Ca 0.50 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.18 2i7k h GLN 5 Cb 2.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.83 2i7k h GLN 5 CO 0.98 0.59 -0.47 1.79 -0.67 0.00 0.00 178.83 181.05 2i7k h THR 6 N 0.00 0.06 -0.92 -0.54 1.35 -1.95 -2.37 112.91 108.55 2i7k h THR 6 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.97 2i7k h THR 6 Cb 1.44 0.06 -0.08 0.00 -1.73 0.00 0.00 68.15 67.84 2i7k h THR 6 CO 0.08 0.00 0.55 1.55 -0.25 0.00 0.00 175.52 177.45 2i7k h PRO 7 N -1.14 0.83 -0.82 4.72 0.13 -1.92 -0.91 132.00 132.89 2i7k h PRO 7 Ca -0.10 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.05 2i7k h PRO 7 Cb 0.92 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 2i7k h PRO 7 CO 0.09 0.55 0.54 -0.07 -0.23 0.00 0.00 178.00 178.88 2i7k h LEU 8 N 0.86 0.80 -0.82 1.56 3.38 -1.61 -1.61 115.31 117.85 2i7k h LEU 8 Ca 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 2i7k h LEU 8 Cb 0.50 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2i7k h LEU 8 CO -0.28 0.51 0.37 -0.61 0.09 0.00 0.00 178.44 178.52 2i7k h GLN 9 N 0.91 1.20 -0.31 1.13 4.15 -0.63 -2.08 115.11 119.48 2i7k h GLN 9 Ca 0.35 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2i7k h GLN 9 Cb 0.22 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2i7k h GLN 9 CO -0.13 0.94 0.19 1.49 -1.93 0.00 0.00 178.83 179.40 2i7k h GLU 10 N 1.18 0.42 -0.63 1.69 4.81 -1.16 -0.63 114.58 120.26 2i7k h GLU 10 Ca 0.28 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2i7k h GLU 10 Cb 0.16 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2i7k h GLU 10 CO -0.03 0.31 0.41 0.00 -0.73 0.00 0.00 179.01 178.97 2i7k h ALA 11 N 1.08 0.81 -0.85 2.92 0.00 -1.26 -0.05 119.26 121.92 2i7k h ALA 11 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2i7k h ALA 11 Cb -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2i7k h ALA 11 CO -0.02 0.20 0.43 1.25 0.00 0.00 0.00 179.25 181.10 2i7k h LEU 12 N 0.82 1.09 -0.93 0.00 6.46 -1.05 -1.15 115.31 120.55 2i7k h LEU 12 Ca 0.24 -0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.78 2i7k h LEU 12 Cb -0.05 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.59 2i7k h LEU 12 CO -0.07 0.90 -0.26 0.78 -0.62 0.00 0.00 178.44 179.18 2i7k h ASN 13 N 1.20 0.49 -0.16 1.25 2.35 -0.54 -1.78 115.58 118.39 2i7k h ASN 13 Ca 0.29 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2i7k h ASN 13 Cb 0.09 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 2i7k h ASN 13 CO -0.04 0.74 -0.04 1.56 -1.65 0.00 0.00 177.43 178.00 2i7k h GLN 14 N 0.42 0.30 -0.58 0.81 7.50 -0.38 -0.20 115.11 122.98 2i7k h GLN 14 Ca 0.06 -0.12 -0.09 0.00 0.50 0.00 0.00 58.65 59.01 2i7k h GLN 14 Cb 0.68 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.17 2i7k h GLN 14 CO 0.05 0.58 0.03 1.37 -1.50 0.00 0.00 178.83 179.36 2i7k h LEU 15 N 0.01 0.99 -0.32 1.46 8.10 -1.18 0.01 115.31 124.38 2i7k h LEU 15 Ca 0.04 -0.29 -0.07 0.00 0.11 0.00 0.00 57.88 57.67 2i7k h LEU 15 Cb 0.47 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 2i7k h LEU 15 CO 0.02 1.04 -0.06 0.24 -4.11 0.00 0.00 178.44 175.56 2i7k h MET 16 N 0.91 0.61 -0.42 0.17 2.86 -1.31 -1.33 114.93 116.41 2i7k h MET 16 Ca 0.17 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 2i7k h MET 16 Cb 0.51 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2i7k h MET 16 CO 0.02 0.78 -0.21 0.07 1.06 0.00 0.00 176.91 178.63 2i7k h ARG 17 N 0.39 0.84 -0.14 1.72 0.11 -0.96 -0.37 114.38 115.97 2i7k h ARG 17 Ca 0.08 -0.34 -0.01 0.00 0.10 0.00 0.00 59.98 59.81 2i7k h ARG 17 Cb 0.55 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2i7k h ARG 17 CO 0.03 0.98 0.04 0.37 0.10 0.00 0.00 179.97 181.48 2i7k h GLN 18 N 0.73 0.23 -0.37 0.08 4.15 -0.92 0.19 115.11 119.20 2i7k h GLN 18 Ca 0.10 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 2i7k h GLN 18 Cb 0.74 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2i7k h GLN 18 CO 0.06 0.37 -0.23 1.37 -1.93 0.00 0.00 178.83 178.47 2i7k h LEU 19 N 0.04 0.75 -0.30 -2.39 8.10 -1.20 -2.72 115.31 117.59 2i7k h LEU 19 Ca 0.05 -0.27 -0.09 0.00 0.11 0.00 0.00 57.88 57.68 2i7k h LEU 19 Cb 0.24 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 2i7k h LEU 19 CO -0.00 0.96 -0.15 -0.61 -4.11 0.00 0.00 178.44 174.54 2i7k h GLN 20 N 0.65 0.63 0.00 0.17 4.15 -0.94 -2.88 115.11 116.89 2i7k h GLN 20 Ca 0.09 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2i7k h GLN 20 Cb 0.73 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.40 2i7k h GLN 20 CO 0.06 0.86 0.00 0.00 -1.93 0.00 0.00 178.83 177.81 2i7k h ARG 21 N 0.38 0.00 0.00 1.69 3.08 -0.56 -3.33 114.38 115.64 2i7k h ARG 21 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2i7k h ARG 21 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2i7k h ARG 21 CO 0.04 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 180.11 2i7k n LYS 22 N -2.53 0.00 0.00 0.04 3.00 -1.03 -4.96 118.16 112.68 2i7k n LYS 22 Ca 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 2i7k n LYS 22 Cb 0.17 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 33.83 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 -2.23 0.00 0.28 3.14 2.03 -1.25 -4.97 116.55 113.55 2i7k n ASP 23 Ca 0.00 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.49 2i7k n ASP 23 Cb 0.00 0.00 0.97 0.00 -0.72 0.00 0.00 41.12 41.37 2i7k n ASP 23 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2i7k h PRO 24 N 0.00 0.00 -0.16 -0.67 0.11 -1.88 -0.19 132.00 129.21 2i7k h PRO 24 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 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 0.00 0.43 -0.21 0.00 0.00 178.00 178.22 2i7k n SER 25 N -3.44 1.08 -0.03 -2.05 7.64 -1.26 -4.13 113.62 111.44 2i7k n SER 25 Ca -0.01 -1.81 0.09 0.00 1.01 0.00 0.00 58.87 58.14 2i7k n SER 25 Cb 0.21 -0.11 0.48 0.00 -1.01 0.00 0.00 64.21 63.79 2i7k n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i7k h ALA 26 N 3.61 1.90 0.01 -0.43 0.00 -1.24 0.66 119.26 123.77 2i7k h ALA 26 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 2i7k h ALA 26 Cb 0.29 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2i7k h ALA 26 CO 0.00 0.02 -2.10 1.19 0.00 0.00 0.00 179.25 178.36 2i7k n PHE 27 N -4.47 0.48 1.46 0.00 3.72 -1.26 -4.20 117.46 113.19 2i7k n PHE 27 Ca 0.06 0.16 0.14 0.00 -0.05 0.00 0.00 57.45 57.76 2i7k n PHE 27 Cb 0.24 -1.08 0.53 0.00 -0.94 0.00 0.00 39.48 38.22 2i7k n PHE 27 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2i7k n PHE 28 N -2.95 0.00 0.45 1.38 3.72 -1.04 -3.92 117.46 115.09 2i7k n PHE 28 Ca -0.28 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.22 2i7k n PHE 28 Cb 1.10 -0.05 0.40 0.00 -0.94 0.00 0.00 39.48 39.98 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 -0.27 0.32 -4.25 4.37 2.88 0.23 -1.39 113.62 115.52 2i7k n SER 29 Ca 0.17 0.58 -0.14 0.00 -1.33 0.00 0.00 58.87 58.15 2i7k n SER 29 Cb 0.32 -0.65 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 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 -3.15 1.25 0.17 0.66 0.40 -1.25 -3.22 117.98 112.84 2i7k s PHE 30 Ca 0.06 -0.76 -0.32 0.00 -0.60 0.00 0.00 56.93 55.31 2i7k s PHE 30 Cb 0.09 -0.64 -0.11 0.00 0.51 0.00 0.00 43.02 42.87 2i7k s PHE 30 CO 0.32 0.08 1.74 -2.14 0.70 0.00 0.00 175.22 175.92 2i7k s PRO 31 N -3.75 4.14 0.70 0.24 0.02 -1.26 -4.70 135.00 130.39 2i7k s PRO 31 Ca 0.17 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.60 2i7k s PRO 31 Cb 0.03 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.29 2i7k s PRO 31 CO 0.00 -0.77 1.25 0.14 -0.33 0.00 0.00 177.00 177.30 2i7k s VAL 32 N 1.77 2.10 0.00 3.83 -7.23 -1.26 -4.94 120.40 114.67 2i7k s VAL 32 Ca 0.76 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 2i7k s VAL 32 Cb -0.48 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.66 2i7k s VAL 32 CO 0.33 -0.02 0.00 0.41 -0.31 0.00 0.00 175.10 175.51 2i7k n THR 33 N -2.40 0.00 1.09 5.32 -1.04 -1.26 -4.89 114.28 111.10 2i7k n THR 33 Ca 0.15 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.26 2i7k n THR 33 Cb 0.49 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.56 2i7k n THR 33 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2i7k n ASP 34 N -0.32 0.00 -0.02 8.00 -0.08 -1.26 -1.38 116.55 121.49 2i7k n ASP 34 Ca 0.00 -0.22 -0.03 0.00 -1.51 0.00 0.00 54.79 53.03 2i7k n ASP 34 Cb 0.00 -0.19 -0.01 0.00 2.34 0.00 0.00 41.12 43.25 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 -1.19 0.00 -0.03 -0.67 -0.00 -1.26 -4.71 117.46 109.60 2i7k n PHE 35 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.52 2i7k n PHE 35 Cb 0.13 -0.13 0.16 0.00 -0.00 0.00 0.00 39.48 39.65 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 -0.08 1.26 -4.51 -2.13 5.03 -1.92 -3.43 117.51 111.73 2i7k h ILE 36 Ca -0.09 -1.25 -0.70 0.00 -0.12 0.00 0.00 64.86 62.70 2i7k h ILE 36 Cb 1.09 1.25 -0.29 0.00 -3.03 0.00 0.00 36.82 35.85 2i7k h ILE 36 CO -0.04 0.41 -0.88 0.00 -0.68 0.00 0.00 178.15 176.96 2i7k s ALA 37 N -4.59 2.23 -1.98 1.87 0.00 -0.48 -4.80 121.76 114.01 2i7k s ALA 37 Ca -0.08 -1.13 0.28 0.00 0.00 0.00 0.00 51.96 51.04 2i7k s ALA 37 Cb 0.14 -0.58 1.69 0.00 0.00 0.00 0.00 23.12 24.37 2i7k s ALA 37 CO 0.81 0.53 2.04 -0.35 0.00 0.00 0.00 175.76 178.79 2i7k n PRO 38 N 2.34 0.88 0.00 0.00 -0.04 -1.26 -4.35 135.00 132.55 2i7k n PRO 38 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2i7k n PRO 38 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.79 0.00 0.29 0.55 0.00 -1.26 -5.04 105.19 100.51 2i7k n GLY 39 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.81 0.00 1.61 -1.99 -1.87 -1.01 116.97 114.52 2i7k h TYR 40 Ca 0.00 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 2i7k h TYR 40 Cb 0.00 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.47 2i7k h TYR 40 CO 0.00 0.39 -0.16 1.03 -0.00 0.00 0.00 178.16 179.42 2i7k h SER 41 N 0.80 0.00 0.08 3.88 0.87 -1.89 0.96 113.55 118.25 2i7k h SER 41 Ca 0.34 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.62 2i7k h SER 41 Cb 0.20 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2i7k h SER 41 CO -0.19 0.16 -1.13 -0.03 -0.53 0.00 0.00 176.83 175.11 2i7k h MET 42 N 0.00 0.61 0.00 2.24 -1.53 -1.59 -3.39 114.93 111.27 2i7k h MET 42 Ca -0.00 -0.77 -0.32 0.00 -3.44 0.00 0.00 59.70 55.16 2i7k h MET 42 Cb 0.41 0.25 -0.06 0.00 -0.55 0.00 0.00 31.60 31.65 2i7k h MET 42 CO 0.02 1.34 -2.21 1.51 0.14 0.00 0.00 176.91 177.71 2i7k n ILE 43 N -3.86 1.22 -3.62 1.77 0.13 -0.96 -4.84 119.36 109.19 2i7k n ILE 43 Ca -0.13 -0.48 -0.39 0.00 -1.10 0.00 0.00 62.75 60.65 2i7k n ILE 43 Cb 0.93 -1.21 -0.09 0.00 -0.84 0.00 0.00 39.64 38.43 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 -2.42 4.06 0.21 9.51 -1.09 0.33 -4.97 121.20 126.82 2i7k s ILE 44 Ca -0.27 -2.39 -0.17 0.00 -2.23 0.00 0.00 60.65 55.59 2i7k s ILE 44 Cb 0.07 -3.65 0.21 0.00 -1.58 0.00 0.00 42.46 37.52 2i7k s ILE 44 CO 0.50 -0.84 1.59 0.50 -1.23 0.00 0.00 174.94 175.47 2i7k h LYS 45 N 7.73 -0.08 -3.08 2.79 3.11 -1.76 -3.33 116.57 121.95 2i7k h LYS 45 Ca -0.08 0.01 -0.61 0.00 -2.81 0.00 0.00 60.65 57.16 2i7k h LYS 45 Cb 1.02 0.02 -0.40 0.00 -1.00 0.00 0.00 32.23 31.86 2i7k h LYS 45 CO 0.76 -0.05 -0.73 -1.58 -2.81 0.00 0.00 179.45 175.04 2i7k s HIS 46 N -6.10 2.10 0.18 1.91 2.46 -1.26 -4.86 115.29 109.73 2i7k s HIS 46 Ca -0.14 -2.47 0.11 0.00 0.47 0.00 0.00 55.06 53.03 2i7k s HIS 46 Cb 0.19 -1.98 0.23 0.00 -0.13 0.00 0.00 32.58 30.88 2i7k s HIS 46 CO 0.72 -0.79 1.53 -1.35 -2.47 0.00 0.00 174.74 172.38 2i7k h PRO 47 N 6.80 0.00 -5.92 2.88 0.11 -1.90 -3.45 132.00 130.52 2i7k h PRO 47 Ca -0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 2i7k h PRO 47 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2i7k h PRO 47 CO 0.50 0.67 -0.98 -1.33 -0.21 0.00 0.00 178.00 176.66 2i7k n MET 48 N -3.59 -1.76 -1.40 1.05 2.81 -1.26 -2.80 117.12 110.16 2i7k n MET 48 Ca -0.00 1.64 -0.29 0.00 -1.81 0.00 0.00 57.70 57.24 2i7k n MET 48 Cb 0.70 -3.02 0.14 0.00 -0.71 0.00 0.00 33.22 30.33 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 -1.46 3.45 0.52 7.83 1.11 -1.26 -4.39 116.67 122.46 2i7k s ASP 49 Ca 0.10 1.15 0.17 0.00 0.18 0.00 0.00 52.55 54.15 2i7k s ASP 49 Cb -0.02 -1.79 1.30 0.00 1.07 0.00 0.00 42.92 43.48 2i7k s ASP 49 CO 0.48 -2.61 2.14 -0.26 1.18 0.00 0.00 175.17 176.10 2i7k h PHE 50 N -1.54 0.00 -0.31 4.23 0.04 -1.51 -1.98 116.94 115.89 2i7k h PHE 50 Ca -0.51 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.11 2i7k h PHE 50 Cb 1.31 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.46 2i7k h PHE 50 CO 0.34 0.00 -0.38 1.03 -0.60 0.00 0.00 178.31 178.70 2i7k h SER 51 N 0.00 0.87 -0.29 2.17 0.87 -1.68 -0.02 113.55 115.46 2i7k h SER 51 Ca 0.02 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 2i7k h SER 51 Cb 0.08 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2i7k h SER 51 CO -0.00 1.19 0.14 0.74 -0.53 0.00 0.00 176.83 178.37 2i7k h THR 52 N 0.57 1.15 -0.38 2.23 2.02 -1.71 -1.36 112.91 115.42 2i7k h THR 52 Ca 0.04 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.67 2i7k h THR 52 Cb 0.97 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2i7k h THR 52 CO 0.09 0.15 -0.24 0.00 0.37 0.00 0.00 175.52 175.89 2i7k h MET 53 N 0.34 0.84 -0.60 6.66 3.00 -1.45 -2.38 114.93 121.34 2i7k h MET 53 Ca 0.10 -0.39 0.03 0.00 0.00 0.00 0.00 59.70 59.44 2i7k h MET 53 Cb 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 31.60 31.66 2i7k h MET 53 CO -0.01 1.03 0.36 -0.22 0.00 0.00 0.00 176.91 178.07 2i7k h LYS 54 N 0.64 0.69 -0.47 -0.10 3.64 -0.85 0.16 116.57 120.28 2i7k h LYS 54 Ca 0.08 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2i7k h LYS 54 Cb 0.81 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2i7k h LYS 54 CO 0.07 0.46 0.04 1.49 -2.27 0.00 0.00 179.45 179.23 2i7k h GLU 55 N 0.71 0.75 -0.33 1.90 4.81 -1.21 -2.59 114.58 118.61 2i7k h GLU 55 Ca 0.24 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 2i7k h GLU 55 Cb 0.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2i7k h GLU 55 CO -0.11 0.73 -0.10 0.87 -0.73 0.00 0.00 179.01 179.67 2i7k h LYS 56 N 0.71 0.65 -0.99 1.92 1.57 -0.76 -3.07 116.57 116.61 2i7k h LYS 56 Ca 0.15 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2i7k h LYS 56 Cb 0.37 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 2i7k h LYS 56 CO 0.01 0.84 0.65 0.82 -0.57 0.00 0.00 179.45 181.20 2i7k h ILE 57 N 0.43 1.17 -0.02 1.86 2.04 -0.49 0.78 117.51 123.28 2i7k h ILE 57 Ca 0.08 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2i7k h ILE 57 Cb 0.61 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2i7k h ILE 57 CO 0.04 0.23 0.04 0.50 0.00 0.00 0.00 178.15 178.95 2i7k h LYS 58 N 1.25 0.00 -0.48 2.37 3.64 -1.37 0.16 116.57 122.14 2i7k h LYS 58 Ca 0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 2i7k h LYS 58 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2i7k h LYS 58 CO -0.12 0.00 0.01 0.09 -2.27 0.00 0.00 179.45 177.16 2i7k n ASN 59 N -3.52 5.06 -1.38 4.20 3.02 -0.16 -4.92 115.26 117.56 2i7k n ASN 59 Ca -0.02 -2.99 -0.17 0.00 -0.03 0.00 0.00 54.58 51.36 2i7k n ASN 59 Cb 0.12 -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 0.18 -5.03 0.05 6.41 2.85 0.04 -4.87 115.26 114.88 2i7k n ASN 60 Ca 0.27 0.36 -0.12 0.00 -0.11 0.00 0.00 54.58 54.98 2i7k n ASN 60 Cb 1.11 -4.04 -0.01 0.00 1.24 0.00 0.00 39.78 38.09 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 0.57 -3.81 1.20 3.32 -1.08 -3.41 116.42 113.21 2i7k h ASP 61 Ca -0.35 -0.40 -0.66 0.00 0.02 0.00 0.00 57.03 55.63 2i7k h ASP 61 Cb 1.13 -0.17 -0.38 0.00 0.22 0.00 0.00 39.33 40.13 2i7k h ASP 61 CO 0.50 1.17 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.10 2i7k s TYR 62 N -3.52 3.31 0.00 4.55 2.02 -1.25 -4.89 117.35 117.57 2i7k s TYR 62 Ca -0.06 -2.44 0.01 0.00 -0.37 0.00 0.00 57.07 54.20 2i7k s TYR 62 Cb 0.10 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 2i7k s TYR 62 CO 0.86 -0.89 0.86 0.94 -1.57 0.00 0.00 175.55 175.75 2i7k n GLN 63 N 4.41 0.00 -4.60 -0.62 0.00 -1.26 -4.64 117.38 110.67 2i7k n GLN 63 Ca -0.10 -0.74 -0.22 0.00 -0.00 0.00 0.00 57.00 55.94 2i7k n GLN 63 Cb 0.42 -0.31 -0.15 0.00 0.00 0.00 0.00 30.24 30.20 2i7k n GLN 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2i7k s SER 64 N -0.74 1.58 0.25 1.69 0.15 -1.26 -5.03 113.70 110.34 2i7k s SER 64 Ca 0.01 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 2i7k s SER 64 Cb 0.02 -0.26 0.44 0.00 -1.71 0.00 0.00 66.02 64.50 2i7k s SER 64 CO -0.01 0.14 1.81 0.16 1.20 0.00 0.00 173.24 176.55 2i7k h ILE 65 N 4.98 0.90 -0.30 6.45 -0.00 -1.98 0.28 117.51 127.83 2i7k h ILE 65 Ca -0.34 -0.28 -0.15 0.00 -0.00 0.00 0.00 64.86 64.09 2i7k h ILE 65 Cb 1.17 0.01 -0.01 0.00 -0.00 0.00 0.00 36.82 37.98 2i7k h ILE 65 CO 0.49 0.15 -0.43 -0.08 -0.00 0.00 0.00 178.15 178.27 2i7k h GLU 66 N 0.82 0.76 -0.13 0.16 4.22 -1.98 -1.67 114.58 116.75 2i7k h GLU 66 Ca 0.42 -0.41 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 2i7k h GLU 66 Cb 0.40 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2i7k h GLU 66 CO -0.26 1.04 -0.10 1.49 -2.18 0.00 0.00 179.01 179.00 2i7k h GLU 67 N 0.61 0.30 0.07 1.92 4.57 -1.73 -1.66 114.58 118.66 2i7k h GLU 67 Ca 0.04 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2i7k h GLU 67 Cb 0.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2i7k h GLU 67 CO 0.09 0.67 -0.03 1.25 -1.18 0.00 0.00 179.01 179.81 2i7k h LEU 68 N -0.08 -0.08 -1.23 1.64 5.85 -0.52 -2.54 115.31 118.36 2i7k h LEU 68 Ca 0.02 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2i7k h LEU 68 Cb 0.60 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2i7k h LEU 68 CO 0.03 0.01 0.52 0.50 -0.34 0.00 0.00 178.44 179.16 2i7k h LYS 69 N -0.17 1.04 -0.42 1.25 3.64 -1.35 -0.09 116.57 120.47 2i7k h LYS 69 Ca -0.01 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2i7k h LYS 69 Cb 0.14 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2i7k h LYS 69 CO 0.02 0.69 0.27 0.22 -2.27 0.00 0.00 179.45 178.37 2i7k h ASP 70 N 1.07 0.45 -0.02 4.20 1.82 -1.06 0.36 116.42 123.24 2i7k h ASP 70 Ca 0.29 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 2i7k h ASP 70 Cb -0.12 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.78 2i7k h ASP 70 CO -0.06 0.33 -0.07 -1.13 -1.61 0.00 0.00 179.24 176.70 2i7k h ASN 71 N 0.54 0.09 -0.52 2.28 -1.24 -1.06 -1.40 115.58 114.27 2i7k h ASN 71 Ca 0.16 -0.65 0.01 0.00 0.71 0.00 0.00 56.30 56.53 2i7k h ASN 71 Cb -0.04 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 2i7k h ASN 71 CO -0.05 0.72 0.33 0.15 -1.29 0.00 0.00 177.43 177.30 2i7k h PHE 72 N -0.54 0.62 -0.29 0.67 3.57 -0.99 -2.28 116.94 117.71 2i7k h PHE 72 Ca -0.00 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 2i7k h PHE 72 Cb 0.72 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2i7k h PHE 72 CO 0.15 0.38 -0.23 -0.22 -2.23 0.00 0.00 178.31 176.16 2i7k h LYS 73 N 0.67 0.54 -0.34 1.11 3.64 -0.36 -2.48 116.57 119.36 2i7k h LYS 73 Ca 0.20 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2i7k h LYS 73 Cb -0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2i7k h LYS 73 CO -0.06 0.74 0.23 -0.07 -2.27 0.00 0.00 179.45 178.01 2i7k h LEU 74 N 0.48 0.39 -0.48 5.20 3.38 -0.69 0.88 115.31 124.47 2i7k h LEU 74 Ca 0.07 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2i7k h LEU 74 Cb 0.66 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2i7k h LEU 74 CO 0.05 0.28 -0.08 -0.03 0.09 0.00 0.00 178.44 178.74 2i7k h MET 75 N 0.46 0.90 -0.06 1.13 4.05 -1.29 0.30 114.93 120.42 2i7k h MET 75 Ca 0.13 -0.33 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 2i7k h MET 75 Cb -0.05 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2i7k h MET 75 CO -0.03 0.98 0.03 0.00 0.23 0.00 0.00 176.91 178.12 2i7k h THR 77 N 0.01 1.32 -0.52 0.00 2.02 -0.81 -1.20 112.91 113.73 2i7k h THR 77 Ca 0.02 -1.58 -0.07 0.00 0.77 0.00 0.00 66.41 65.55 2i7k h THR 77 Cb 0.07 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2i7k h THR 77 CO -0.00 0.50 0.03 0.78 0.37 0.00 0.00 175.52 177.19 2i7k h ASN 78 N 0.37 0.82 -0.12 4.18 2.35 -0.33 -0.70 115.58 122.15 2i7k h ASN 78 Ca 0.02 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.40 2i7k h ASN 78 Cb 0.97 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.12 2i7k h ASN 78 CO 0.09 0.87 -0.59 0.00 -1.65 0.00 0.00 177.43 176.15 2i7k h ALA 79 N 1.22 0.23 -0.51 -0.83 0.00 0.02 -2.63 119.26 116.76 2i7k h ALA 79 Ca 0.16 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 2i7k h ALA 79 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2i7k h ALA 79 CO 0.02 0.48 -0.07 0.52 0.00 0.00 0.00 179.25 180.20 2i7k h MET 80 N 0.26 0.92 -0.26 0.00 2.86 -1.11 0.44 114.93 118.04 2i7k h MET 80 Ca -0.04 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.24 2i7k h MET 80 Cb 1.23 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 2i7k h MET 80 CO 0.12 0.96 -0.05 0.97 1.06 0.00 0.00 176.91 179.97 2i7k h ILE 81 N 0.84 1.28 0.00 -1.22 6.09 -1.17 -3.10 117.51 120.22 2i7k h ILE 81 Ca 0.14 -1.04 -0.03 0.00 -1.37 0.00 0.00 64.86 62.57 2i7k h ILE 81 Cb 0.59 1.43 -0.00 0.00 0.47 0.00 0.00 36.82 39.31 2i7k h ILE 81 CO 0.04 0.33 -0.18 0.22 -3.07 0.00 0.00 178.15 175.48 2i7k h TYR 82 N 0.24 0.00 -3.48 2.19 3.20 -1.42 -3.41 116.97 114.30 2i7k h TYR 82 Ca 0.07 0.00 -0.70 0.00 3.14 0.00 0.00 58.73 61.24 2i7k h TYR 82 Cb 0.50 0.00 -0.34 0.00 1.54 0.00 0.00 36.73 38.44 2i7k h TYR 82 CO 0.05 0.13 -0.47 1.21 -1.64 0.00 0.00 178.16 177.43 2i7k s ASN 83 N -6.22 5.33 0.79 -2.11 3.84 0.15 -5.08 114.94 111.64 2i7k s ASN 83 Ca 0.06 -2.24 -0.11 0.00 0.21 0.00 0.00 52.86 50.78 2i7k s ASN 83 Cb 0.06 -1.87 0.07 0.00 -0.55 0.00 0.00 41.25 38.96 2i7k s ASN 83 CO 0.70 -0.52 1.09 -1.59 -2.79 0.00 0.00 177.10 173.99 2i7k s LYS 84 N 0.84 2.13 -0.79 0.43 0.00 -1.26 -4.54 119.74 116.56 2i7k s LYS 84 Ca 0.10 1.17 -0.28 0.00 0.00 0.00 0.00 55.97 56.96 2i7k s LYS 84 Cb -0.22 -1.88 -0.27 0.00 0.00 0.00 0.00 37.83 35.46 2i7k s LYS 84 CO -0.04 -1.73 1.96 -0.35 0.00 0.00 0.00 175.35 175.19 2i7k n PRO 85 N -3.58 0.21 -0.05 1.78 -0.04 -1.26 -4.49 135.00 127.57 2i7k n PRO 85 Ca 0.09 -1.57 -0.01 0.00 -0.04 0.00 0.00 63.50 61.97 2i7k n PRO 85 Cb 0.53 -3.52 -0.00 0.00 -0.04 0.00 0.00 33.50 30.47 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 10.99 0.00 0.00 0.54 4.57 -1.98 -3.49 114.58 125.21 2i7k h GLU 86 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2i7k h GLU 86 Cb 0.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2i7k h GLU 86 CO 1.33 0.00 0.00 0.25 -1.18 0.00 0.00 179.01 179.41 2i7k n THR 87 N -4.64 0.00 -0.10 0.32 -2.24 -1.26 -5.00 114.28 101.35 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 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2i7k n THR 87 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2i7k n ILE 88 N -0.69 0.00 -0.06 2.28 -0.00 -1.26 -4.70 119.36 114.92 2i7k n ILE 88 Ca 0.00 -0.44 -0.11 0.00 -0.00 0.00 0.00 62.75 62.20 2i7k n ILE 88 Cb 0.00 1.10 -0.05 0.00 -0.00 0.00 0.00 39.64 40.69 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 0.35 -0.14 1.39 0.05 -1.95 0.19 116.97 116.86 2i7k h TYR 89 Ca 0.00 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2i7k h TYR 89 Cb 0.05 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2i7k h TYR 89 CO 0.00 0.46 0.03 -0.92 -1.05 0.00 0.00 178.16 176.67 2i7k h TYR 90 N 0.14 0.24 -0.85 4.88 5.03 -1.80 -2.53 116.97 122.07 2i7k h TYR 90 Ca 0.06 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2i7k h TYR 90 Cb 0.29 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 2i7k h TYR 90 CO 0.01 0.40 0.49 0.87 -1.32 0.00 0.00 178.16 178.61 2i7k h LYS 91 N 0.01 1.18 -0.41 1.82 6.56 -1.83 -1.83 116.57 122.07 2i7k h LYS 91 Ca 0.04 -0.12 0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2i7k h LYS 91 Cb 0.28 -0.24 -0.04 0.00 -0.57 0.00 0.00 32.23 31.67 2i7k h LYS 91 CO 0.00 0.85 0.20 0.00 -2.06 0.00 0.00 179.45 178.44 2i7k h ALA 92 N 1.26 0.51 -0.37 3.86 0.00 -0.50 0.24 119.26 124.25 2i7k h ALA 92 Ca 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2i7k h ALA 92 Cb -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2i7k h ALA 92 CO -0.05 -0.16 0.12 0.00 0.00 0.00 0.00 179.25 179.16 2i7k h ALA 93 N 1.22 0.49 -0.49 0.00 0.00 -1.17 0.68 119.26 119.99 2i7k h ALA 93 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2i7k h ALA 93 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2i7k h ALA 93 CO -0.13 0.12 0.21 -0.22 0.00 0.00 0.00 179.25 179.24 2i7k h LYS 94 N 0.46 0.72 -0.31 0.00 3.64 -0.99 0.62 116.57 120.70 2i7k h LYS 94 Ca 0.12 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2i7k h LYS 94 Cb 0.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2i7k h LYS 94 CO -0.00 0.62 0.04 0.87 -2.27 0.00 0.00 179.45 178.70 2i7k h LYS 95 N 0.64 0.52 -0.60 1.90 1.57 -0.41 -2.28 116.57 117.91 2i7k h LYS 95 Ca 0.16 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2i7k h LYS 95 Cb 0.16 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2i7k h LYS 95 CO -0.02 0.63 0.20 1.25 -0.57 0.00 0.00 179.45 180.94 2i7k h LEU 96 N 0.33 0.87 -0.53 2.94 7.12 -0.73 -1.56 115.31 123.74 2i7k h LEU 96 Ca 0.09 -0.20 0.03 0.00 0.13 0.00 0.00 57.88 57.93 2i7k h LEU 96 Cb 0.37 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 40.24 2i7k h LEU 96 CO 0.01 0.84 0.31 0.25 -0.13 0.00 0.00 178.44 179.71 2i7k h LEU 97 N 0.85 0.48 -0.33 2.25 6.46 -0.78 0.88 115.31 125.12 2i7k h LEU 97 Ca 0.19 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.91 2i7k h LEU 97 Cb 0.28 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2i7k h LEU 97 CO -0.01 0.34 -0.01 0.45 -0.62 0.00 0.00 178.44 178.59 2i7k h HIS 98 N 0.60 0.66 -0.17 1.25 3.86 -1.22 -1.88 115.15 118.25 2i7k h HIS 98 Ca 0.22 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2i7k h HIS 98 Cb 0.05 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2i7k h HIS 98 CO -0.07 0.72 0.05 0.66 0.86 0.00 0.00 177.93 180.15 2i7k h SER 99 N 0.40 0.25 -0.78 2.45 4.64 -1.03 -2.52 113.55 116.96 2i7k h SER 99 Ca 0.09 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2i7k h SER 99 Cb 0.47 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 2i7k h SER 99 CO 0.02 0.40 0.52 1.23 -0.87 0.00 0.00 176.83 178.13 2i7k h GLY 100 N 0.09 1.10 0.99 -0.77 0.00 -0.82 -1.17 103.07 102.50 2i7k h GLY 100 Ca 0.05 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2i7k h GLY 100 CO -0.00 0.36 0.17 -0.33 0.00 0.00 0.00 176.54 176.74 2i7k h MET 101 N 1.01 0.86 -0.27 4.80 2.86 -1.16 0.34 114.93 123.38 2i7k h MET 101 Ca 0.30 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 2i7k h MET 101 Cb -0.03 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2i7k h MET 101 CO -0.08 0.79 -0.18 0.87 1.06 0.00 0.00 176.91 179.37 2i7k h LYS 102 N 0.77 0.59 -0.44 1.72 6.56 -1.02 -2.71 116.57 122.05 2i7k h LYS 102 Ca 0.18 -0.28 -0.07 0.00 -1.06 0.00 0.00 60.65 59.41 2i7k h LYS 102 Cb 0.29 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 2i7k h LYS 102 CO -0.00 0.87 -0.03 0.82 -2.06 0.00 0.00 179.45 179.04 2i7k h ILE 103 N 0.32 1.24 -0.58 1.86 2.04 -1.14 -2.78 117.51 118.47 2i7k h ILE 103 Ca 0.05 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2i7k h ILE 103 Cb 0.72 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2i7k h ILE 103 CO 0.05 0.35 0.31 -0.07 0.00 0.00 0.00 178.15 178.79 2i7k h LEU 104 N 0.68 0.73 -1.85 1.44 3.38 -0.86 -2.14 115.31 116.70 2i7k h LEU 104 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2i7k h LEU 104 Cb 0.46 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2i7k h LEU 104 CO 0.02 0.63 -0.14 0.28 0.09 0.00 0.00 178.44 179.32 2i7k h SER 105 N 0.78 0.00 -0.76 -0.43 0.02 -1.26 -2.57 113.55 109.33 2i7k h SER 105 Ca 0.20 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.28 2i7k h SER 105 Cb 0.06 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 2i7k h SER 105 CO -0.03 0.14 0.50 -0.61 -1.14 0.00 0.00 176.83 175.69 2i7k h GLN 106 N 0.00 0.52 -0.71 3.45 5.75 -1.12 -0.14 115.11 122.86 2i7k h GLN 106 Ca -0.00 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.57 2i7k h GLN 106 Cb 0.31 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 2i7k h GLN 106 CO 0.02 0.34 0.47 0.93 -2.65 0.00 0.00 178.83 177.94 2i7k h GLU 107 N 0.53 0.55 -2.20 1.69 5.08 -1.54 -3.11 114.58 115.58 2i7k h GLU 107 Ca 0.37 -0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 58.10 2i7k h GLU 107 Cb 0.69 -0.12 -0.42 0.00 0.50 0.00 0.00 28.75 29.39 2i7k h GLU 107 CO -0.13 0.37 -0.60 2.89 -1.00 0.00 0.00 179.01 180.53 2i7k n ARG 108 N -4.49 2.64 -2.22 2.33 1.85 -0.07 -5.08 116.66 111.62 2i7k n ARG 108 Ca 0.12 -4.70 -0.41 0.00 -1.00 0.00 0.00 57.85 51.86 2i7k n ARG 108 Cb 0.36 -2.25 -0.03 0.00 -1.05 0.00 0.00 32.46 29.50 2i7k n ARG 108 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2i7k s LEU 109 N -2.64 4.45 -1.82 2.89 2.34 -1.18 -2.76 118.68 119.97 2i7k s LEU 109 Ca 0.41 2.53 0.00 0.00 0.06 0.00 0.00 54.13 57.14 2i7k s LEU 109 Cb 0.17 -3.64 0.00 0.00 -0.56 0.00 0.00 46.19 42.17 2i7k s LEU 109 CO -0.03 -0.45 0.00 -0.62 -1.06 0.00 0.00 176.35 174.19 2i7k n GLU 110 N 1.31 -1.67 -0.04 1.48 1.02 -1.26 -4.85 120.64 116.64 2i7k n GLU 110 Ca 0.01 1.03 -0.06 0.00 -0.02 0.00 0.00 57.16 58.13 2i7k n GLU 110 Cb 0.43 -5.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.13 2i7k n GLU 110 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2i7k n HIS 111 N -3.87 0.00 -0.62 -0.32 8.25 -1.11 -5.06 115.22 112.49 2i7k n HIS 111 Ca -0.24 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.92 2i7k n HIS 111 Cb 0.69 -0.30 0.26 0.00 1.12 0.00 0.00 29.99 31.76 2i7k n HIS 111 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2i7k s HIS 112 N -2.16 0.24 -0.24 4.41 -3.43 -1.26 -5.02 115.29 107.84 2i7k s HIS 112 Ca -0.11 0.71 -0.04 0.00 -0.80 0.00 0.00 55.06 54.83 2i7k s HIS 112 Cb 0.03 -3.09 -0.14 0.00 -1.43 0.00 0.00 32.58 27.95 2i7k s HIS 112 CO 0.18 -4.38 -0.26 -2.39 -2.00 0.00 0.00 174.74 165.89 2i7k n HIS 113 N -5.20 0.00 -2.59 0.38 1.44 -1.26 -5.02 115.22 102.97 2i7k n HIS 113 Ca 0.10 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.58 2i7k n HIS 113 Cb 0.58 -0.91 0.04 0.00 0.12 0.00 0.00 29.99 29.82 2i7k n HIS 113 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2i7k s HIS 114 N -2.47 2.94 -0.19 -1.40 3.76 -1.26 -5.04 115.29 111.63 2i7k s HIS 114 Ca -0.33 0.14 0.06 0.00 -0.15 0.00 0.00 55.06 54.78 2i7k s HIS 114 Cb 0.10 -2.77 0.20 0.00 1.11 0.00 0.00 32.58 31.23 2i7k s HIS 114 CO 0.51 -0.90 1.04 -2.39 -0.85 0.00 0.00 174.74 172.15 2i7k n HIS 115 N -2.43 -1.06 0.53 1.40 -0.00 -1.26 -5.09 115.22 107.31 2i7k n HIS 115 Ca 0.07 -0.90 0.06 0.00 -0.00 0.00 0.00 57.72 56.96 2i7k n HIS 115 Cb 0.59 1.09 0.05 0.00 -0.00 0.00 0.00 29.99 31.73 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06