#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2imj s GLN 6 N 0.00 3.35 -0.21 0.00 -0.21 -1.26 -5.08 119.66 116.25 2imj s GLN 6 Ca 0.00 0.41 -0.04 0.00 0.02 0.00 0.00 55.36 55.76 2imj s GLN 6 Cb 0.00 -2.19 0.10 0.00 1.00 0.00 0.00 33.01 31.92 2imj s GLN 6 CO 0.00 -0.56 0.30 0.08 -2.12 0.00 0.00 175.29 172.99 2imj s VAL 7 N -3.05 -0.46 -0.35 1.09 1.01 -1.26 -4.90 120.40 112.48 2imj s VAL 7 Ca 0.53 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2imj s VAL 7 Cb -0.11 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.69 2imj s VAL 7 CO 0.49 -0.10 0.08 -0.13 0.00 0.00 0.00 175.10 175.44 2imj s ARG 8 N 2.44 1.39 0.66 2.72 0.52 0.19 -5.04 118.95 121.83 2imj s ARG 8 Ca 0.08 -1.81 -0.12 0.00 -0.52 0.00 0.00 55.73 53.36 2imj s ARG 8 Cb -0.15 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 2imj s ARG 8 CO -0.13 -0.97 1.05 -1.25 0.02 0.00 0.00 175.30 174.03 2imj s PRO 9 N 0.92 3.16 0.60 3.54 0.04 -1.26 -4.26 135.00 137.73 2imj s PRO 9 Ca 0.11 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 2imj s PRO 9 Cb -0.19 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2imj s PRO 9 CO -0.10 -0.92 1.28 -2.14 0.04 0.00 0.00 177.00 175.15 2imj s PRO 10 N -4.88 2.86 0.03 0.56 0.02 -1.26 -4.97 135.00 127.35 2imj s PRO 10 Ca 0.58 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.64 2imj s PRO 10 Cb -0.14 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 2imj s PRO 10 CO 0.51 -1.35 0.04 -0.51 -0.33 0.00 0.00 177.00 175.36 2imj s LEU 11 N -4.04 3.67 0.64 -5.54 1.43 -1.26 -4.68 118.68 108.89 2imj s LEU 11 Ca 0.78 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.77 2imj s LEU 11 Cb -0.36 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2imj s LEU 11 CO 0.39 0.24 1.04 -2.16 0.23 0.00 0.00 176.35 176.09 2imj s PRO 12 N -1.91 3.30 0.45 1.29 0.04 -1.26 -4.38 135.00 132.53 2imj s PRO 12 Ca 0.24 0.90 -0.23 0.00 0.04 0.00 0.00 61.00 61.94 2imj s PRO 12 Cb -0.12 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2imj s PRO 12 CO 0.15 -0.81 1.11 -1.25 0.04 0.00 0.00 177.00 176.25 2imj s PRO 13 N -4.94 3.88 0.44 0.56 0.04 -1.26 -4.98 135.00 128.75 2imj s PRO 13 Ca 0.57 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 2imj s PRO 13 Cb -0.13 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 2imj s PRO 13 CO 0.51 -0.42 0.73 -0.06 0.04 0.00 0.00 177.00 177.80 2imj s PHE 14 N -1.63 3.55 0.44 0.56 0.08 -0.76 -4.99 117.98 115.22 2imj s PHE 14 Ca 0.62 0.71 0.06 0.00 0.12 0.00 0.00 56.93 58.45 2imj s PHE 14 Cb -0.25 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 2imj s PHE 14 CO 0.31 -0.17 0.20 0.95 -0.10 0.00 0.00 175.22 176.40 2imj s THR 15 N -2.62 2.09 0.16 0.64 -4.23 -1.26 -4.72 115.64 105.71 2imj s THR 15 Ca 0.46 -1.69 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 2imj s THR 15 Cb -0.10 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.99 2imj s THR 15 CO 0.42 0.00 1.80 -0.09 -0.54 0.00 0.00 174.62 176.21 2imj h ARG 16 N 1.31 0.48 0.04 3.99 2.43 -1.99 0.11 114.38 120.75 2imj h ARG 16 Ca -0.42 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2imj h ARG 16 Cb 1.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2imj h ARG 16 CO 0.68 0.32 -0.05 1.49 -1.51 0.00 0.00 179.97 180.90 2imj h GLU 17 N 0.49 -0.11 0.00 0.20 4.81 -2.00 -1.54 114.58 116.44 2imj h GLU 17 Ca 0.17 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2imj h GLU 17 Cb 0.03 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2imj h GLU 17 CO -0.09 -0.07 -0.42 0.66 -0.73 0.00 0.00 179.01 178.37 2imj h SER 18 N -0.11 0.00 -0.31 1.04 4.64 -1.91 -1.81 113.55 115.09 2imj h SER 18 Ca 0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2imj h SER 18 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2imj h SER 18 CO -0.03 0.42 -0.02 0.00 -0.87 0.00 0.00 176.83 176.33 2imj h ALA 19 N 1.58 0.42 -0.73 5.18 0.00 -0.70 0.73 119.26 125.74 2imj h ALA 19 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2imj h ALA 19 Cb 0.82 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2imj h ALA 19 CO 0.05 0.19 0.34 0.82 0.00 0.00 0.00 179.25 180.65 2imj h ILE 20 N 0.35 1.24 -0.28 0.00 2.04 -1.02 -1.17 117.51 118.66 2imj h ILE 20 Ca 0.09 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 2imj h ILE 20 Cb 0.47 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2imj h ILE 20 CO 0.02 0.29 0.01 -0.08 0.00 0.00 0.00 178.15 178.38 2imj h GLU 21 N 1.05 0.50 -0.68 2.37 4.81 -1.07 -1.32 114.58 120.24 2imj h GLU 21 Ca 0.25 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2imj h GLU 21 Cb 0.13 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2imj h GLU 21 CO -0.03 0.64 0.35 -0.22 -0.73 0.00 0.00 179.01 179.02 2imj h LYS 22 N 0.29 0.60 -0.54 1.92 1.63 -0.46 -0.76 116.57 119.25 2imj h LYS 22 Ca 0.08 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 2imj h LYS 22 Cb 0.42 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2imj h LYS 22 CO 0.01 0.40 0.08 0.82 -3.45 0.00 0.00 179.45 177.31 2imj h ILE 23 N 0.62 1.25 -0.62 2.00 2.04 -1.04 -2.05 117.51 119.70 2imj h ILE 23 Ca 0.32 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 2imj h ILE 23 Cb 0.29 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2imj h ILE 23 CO -0.23 0.35 0.16 -0.09 0.00 0.00 0.00 178.15 178.33 2imj h ARG 24 N 0.78 1.00 -0.65 2.37 1.12 -0.56 0.06 114.38 118.51 2imj h ARG 24 Ca 0.16 -0.24 -0.07 0.00 -1.11 0.00 0.00 59.98 58.73 2imj h ARG 24 Cb 0.42 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 30.22 2imj h ARG 24 CO 0.01 0.90 0.14 -0.07 -3.11 0.00 0.00 179.97 177.84 2imj h LEU 25 N 0.91 0.98 -0.29 3.80 3.38 -1.07 -0.71 115.31 122.31 2imj h LEU 25 Ca 0.20 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2imj h LEU 25 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2imj h LEU 25 CO 0.00 0.96 0.04 0.00 0.09 0.00 0.00 178.44 179.53 2imj h ALA 26 N 1.16 0.39 -0.46 1.53 0.00 -1.01 -1.32 119.26 119.55 2imj h ALA 26 Ca 0.20 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2imj h ALA 26 Cb 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2imj h ALA 26 CO 0.00 0.09 0.21 1.49 0.00 0.00 0.00 179.25 181.05 2imj h GLU 27 N 0.31 0.41 -0.92 0.00 4.81 -0.72 -0.30 114.58 118.16 2imj h GLU 27 Ca 0.09 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2imj h GLU 27 Cb 0.35 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2imj h GLU 27 CO 0.01 0.27 0.60 -0.44 -0.73 0.00 0.00 179.01 178.72 2imj h ASP 28 N 0.43 1.00 0.17 1.04 3.32 -0.91 0.24 116.42 121.70 2imj h ASP 28 Ca 0.21 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2imj h ASP 28 Cb 0.14 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2imj h ASP 28 CO -0.16 0.68 -0.08 1.23 -1.72 0.00 0.00 179.24 179.18 2imj h GLY 29 N 1.16 -0.24 1.91 2.75 0.00 -0.09 -2.73 103.07 105.82 2imj h GLY 29 Ca 0.37 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.73 2imj h GLY 29 CO -0.12 -0.09 -0.25 1.49 0.00 0.00 0.00 176.54 177.57 2imj h TRP 30 N -0.29 0.12 0.00 5.60 4.06 -0.80 -1.67 115.95 122.97 2imj h TRP 30 Ca -0.02 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2imj h TRP 30 Cb 0.23 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2imj h TRP 30 CO -0.05 0.36 0.00 0.09 -3.56 0.00 0.00 178.44 175.28 2imj n ASN 31 N -4.20 0.00 0.13 -3.49 3.02 0.05 -1.32 115.26 109.45 2imj n ASN 31 Ca -0.02 0.10 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2imj n ASN 31 Cb 0.33 -0.31 0.16 0.00 -0.61 0.00 0.00 39.78 39.35 2imj n ASN 31 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2imj h SER 32 N 0.00 0.00 -4.43 6.41 4.64 -1.05 -3.24 113.55 115.88 2imj h SER 32 Ca 0.00 -0.04 -0.36 0.00 -0.47 0.00 0.00 61.79 60.91 2imj h SER 32 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2imj h SER 32 CO 0.00 0.02 -0.51 0.54 -0.87 0.00 0.00 176.83 176.01 2imj n ARG 33 N -2.63 -3.40 -3.71 4.77 1.74 -0.44 -4.94 116.66 108.05 2imj n ARG 33 Ca 0.03 0.72 -0.37 0.00 -0.77 0.00 0.00 57.85 57.45 2imj n ARG 33 Cb 0.50 -5.45 -0.11 0.00 -1.02 0.00 0.00 32.46 26.39 2imj n ARG 33 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2imj s ASP 34 N -2.46 5.38 0.24 0.55 3.68 -1.26 -4.98 116.67 117.81 2imj s ASP 34 Ca 0.22 -1.99 -0.08 0.00 2.13 0.00 0.00 52.55 52.83 2imj s ASP 34 Cb -0.11 -1.88 0.40 0.00 -1.45 0.00 0.00 42.92 39.89 2imj s ASP 34 CO 0.27 -0.59 1.65 -0.65 0.13 0.00 0.00 175.17 175.99 2imj h PRO 35 N 8.16 0.14 0.30 4.34 0.11 -1.91 -1.07 132.00 142.07 2imj h PRO 35 Ca -0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 2imj h PRO 35 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2imj h PRO 35 CO 0.74 0.09 -0.14 1.49 -0.21 0.00 0.00 178.00 179.97 2imj h GLU 36 N 0.14 -0.38 -0.25 1.05 4.57 -1.94 -0.17 114.58 117.60 2imj h GLU 36 Ca 0.39 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.64 2imj h GLU 36 Cb 0.67 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 2imj h GLU 36 CO -0.59 -0.20 -0.01 -0.09 -1.18 0.00 0.00 179.01 176.94 2imj h ARG 37 N -0.48 0.06 -0.68 1.92 2.43 -1.87 -2.65 114.38 113.11 2imj h ARG 37 Ca -0.04 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2imj h ARG 37 Cb 0.36 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2imj h ARG 37 CO 0.07 0.04 0.32 0.28 -1.51 0.00 0.00 179.97 179.16 2imj h VAL 38 N 0.06 1.23 -0.14 0.20 2.07 -1.15 -2.90 116.25 115.62 2imj h VAL 38 Ca 0.12 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2imj h VAL 38 Cb 0.16 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2imj h VAL 38 CO -0.21 0.27 0.12 0.77 0.02 0.00 0.00 177.57 178.54 2imj h SER 39 N 0.95 0.00 0.55 0.57 4.64 -0.66 -1.94 113.55 117.65 2imj h SER 39 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2imj h SER 39 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2imj h SER 39 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 2imj n LEU 40 N -4.16 0.47 -0.06 5.97 4.77 -1.09 -2.07 117.00 120.83 2imj n LEU 40 Ca 0.00 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 2imj n LEU 40 Cb 0.24 -0.59 0.66 0.00 -2.33 0.00 0.00 43.42 41.40 2imj n LEU 40 CO 0.31 -0.54 0.92 0.00 -1.33 0.00 0.00 177.39 176.75 2imj n ALA 41 N -1.70 2.67 -2.61 -1.18 0.00 -0.73 -4.85 120.51 112.11 2imj n ALA 41 Ca 0.02 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 2imj n ALA 41 Cb 0.18 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 2imj n ALA 41 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2imj s TYR 42 N -2.55 2.76 0.81 0.00 2.02 -0.88 -4.54 117.35 114.98 2imj s TYR 42 Ca 0.28 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.70 2imj s TYR 42 Cb 0.20 -1.39 0.08 0.00 -0.40 0.00 0.00 41.96 40.45 2imj s TYR 42 CO 0.48 0.48 1.16 0.95 -1.57 0.00 0.00 175.55 177.04 2imj s THR 43 N -1.48 2.42 0.47 -0.71 -4.23 -1.26 -4.89 115.64 105.96 2imj s THR 43 Ca 0.24 0.16 0.13 0.00 -1.18 0.00 0.00 61.69 61.05 2imj s THR 43 Cb -0.10 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.53 2imj s THR 43 CO 0.16 -0.15 2.09 -0.07 -0.54 0.00 0.00 174.62 176.10 2imj h LEU 44 N -1.08 0.23 -3.71 4.79 3.38 -1.97 -1.82 115.31 115.11 2imj h LEU 44 Ca -0.45 -0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.03 2imj h LEU 44 Cb 1.27 -0.05 -0.30 0.00 0.09 0.00 0.00 40.66 41.67 2imj h LEU 44 CO 0.47 0.16 -0.11 -0.90 0.09 0.00 0.00 178.44 178.14 2imj n ASP 45 N -4.50 4.98 -4.70 -0.43 3.85 -1.26 -1.55 116.55 112.95 2imj n ASP 45 Ca 0.02 -3.77 -0.40 0.00 -0.71 0.00 0.00 54.79 49.92 2imj n ASP 45 Cb 0.14 -0.61 0.02 0.00 -1.35 0.00 0.00 41.12 39.33 2imj n ASP 45 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 2imj n THR 46 N -0.89 3.02 -4.15 2.12 5.66 -0.69 -4.65 114.28 114.70 2imj n THR 46 Ca 0.47 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 60.63 2imj n THR 46 Cb 0.92 -1.54 -0.15 0.00 -1.55 0.00 0.00 70.33 68.01 2imj n THR 46 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2imj s GLN 47 N -2.44 3.23 0.08 1.09 -1.52 -0.34 -1.82 119.66 117.94 2imj s GLN 47 Ca 0.65 -0.71 0.06 0.00 -1.95 0.00 0.00 55.36 53.42 2imj s GLN 47 Cb -0.47 -2.78 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 2imj s GLN 47 CO 0.54 -0.13 -0.17 -1.58 -0.25 0.00 0.00 175.29 173.71 2imj s TRP 48 N 1.21 1.44 -0.13 0.91 0.52 -0.13 -1.25 118.94 121.52 2imj s TRP 48 Ca 0.02 -0.44 -0.02 0.00 0.02 0.00 0.00 56.10 55.67 2imj s TRP 48 Cb -0.14 -0.80 0.04 0.00 -1.15 0.00 0.00 33.47 31.42 2imj s TRP 48 CO -0.05 0.12 0.03 0.50 0.02 0.00 0.00 176.95 177.57 2imj s ARG 49 N -1.81 0.53 -0.26 4.98 3.52 -0.56 -1.66 118.95 123.69 2imj s ARG 49 Ca 0.01 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 2imj s ARG 49 Cb -0.10 -1.51 0.05 0.00 -1.56 0.00 0.00 34.95 31.84 2imj s ARG 49 CO 0.03 -0.48 -0.09 1.21 -0.81 0.00 0.00 175.30 175.15 2imj s ASN 50 N 1.96 4.40 1.96 -2.12 3.84 0.10 -0.85 114.94 124.23 2imj s ASN 50 Ca 0.02 -1.27 0.00 0.00 0.21 0.00 0.00 52.86 51.82 2imj s ASN 50 Cb -0.15 -1.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.97 2imj s ASN 50 CO -0.07 -0.18 0.00 0.54 -2.79 0.00 0.00 177.10 174.60 2imj n ARG 51 N 4.50 0.00 -0.69 0.43 1.74 -0.28 -0.88 116.66 121.48 2imj n ARG 51 Ca -0.15 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.02 2imj n ARG 51 Cb 0.43 0.00 0.36 0.00 -1.02 0.00 0.00 32.46 32.23 2imj n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2imj n ALA 52 N 12.57 3.36 -2.58 7.54 0.00 -1.26 -4.95 120.51 135.18 2imj n ALA 52 Ca 0.00 -1.82 -0.32 0.00 0.00 0.00 0.00 53.44 51.29 2imj n ALA 52 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 2imj n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2imj s GLU 53 N -2.33 2.56 0.12 0.00 2.12 -0.06 -5.13 118.70 115.98 2imj s GLU 53 Ca 0.50 -0.70 0.09 0.00 0.36 0.00 0.00 54.97 55.22 2imj s GLU 53 Cb 0.36 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 2imj s GLU 53 CO 0.18 0.61 -0.20 -0.06 -0.54 0.00 0.00 175.26 175.26 2imj s PHE 54 N -0.94 2.49 -0.00 5.30 0.40 -1.26 0.03 117.98 123.99 2imj s PHE 54 Ca 0.16 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2imj s PHE 54 Cb -0.11 -1.33 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 2imj s PHE 54 CO 0.06 0.38 -0.05 0.00 0.70 0.00 0.00 175.22 176.30 2imj s ALA 55 N -1.13 0.44 -0.07 5.36 0.00 -0.67 -4.99 121.76 120.71 2imj s ALA 55 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2imj s ALA 55 Cb -0.10 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2imj s ALA 55 CO 0.09 0.11 0.89 0.72 0.00 0.00 0.00 175.76 177.57 2imj n HIS 56 N 2.94 0.02 -3.81 0.00 8.25 -1.26 -0.96 115.22 120.41 2imj n HIS 56 Ca -0.13 -0.37 -0.05 0.00 -0.26 0.00 0.00 57.72 56.91 2imj n HIS 56 Cb 0.58 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 2imj n HIS 56 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2imj s ASN 57 N -0.76 -0.19 0.30 0.41 2.20 -0.76 -4.35 114.94 111.80 2imj s ASN 57 Ca 0.01 -0.56 -0.02 0.00 -0.94 0.00 0.00 52.86 51.35 2imj s ASN 57 Cb 0.01 0.62 0.45 0.00 -2.00 0.00 0.00 41.25 40.32 2imj s ASN 57 CO 0.01 -1.16 1.96 -0.09 -2.94 0.00 0.00 177.10 174.88 2imj h ARG 58 N 2.00 1.05 -0.62 3.55 2.43 -1.40 -1.82 114.38 119.57 2imj h ARG 58 Ca -0.23 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 2imj h ARG 58 Cb 1.24 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 2imj h ARG 58 CO 0.26 0.72 0.30 1.49 -1.51 0.00 0.00 179.97 181.22 2imj h GLU 59 N 1.08 0.89 -0.34 0.20 4.81 -1.93 0.13 114.58 119.42 2imj h GLU 59 Ca 0.29 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2imj h GLU 59 Cb -0.09 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2imj h GLU 59 CO -0.06 0.71 -0.26 0.93 -0.73 0.00 0.00 179.01 179.61 2imj h GLU 60 N 0.84 0.67 -0.38 1.92 5.08 -1.89 -0.50 114.58 120.32 2imj h GLU 60 Ca 0.21 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2imj h GLU 60 Cb 0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2imj h GLU 60 CO -0.03 0.86 0.15 0.00 -1.00 0.00 0.00 179.01 178.99 2imj h ALA 61 N 1.13 0.50 -0.82 3.43 0.00 -0.86 -1.19 119.26 121.45 2imj h ALA 61 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2imj h ALA 61 Cb 0.74 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2imj h ALA 61 CO 0.06 0.11 0.44 -0.22 0.00 0.00 0.00 179.25 179.64 2imj h LYS 62 N 0.47 1.14 -0.75 0.00 3.64 -0.42 -1.04 116.57 119.61 2imj h LYS 62 Ca 0.13 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2imj h LYS 62 Cb 0.20 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2imj h LYS 62 CO -0.01 0.85 0.23 0.00 -2.27 0.00 0.00 179.45 178.25 2imj h ALA 63 N 1.33 0.99 -0.45 5.00 0.00 -0.75 -1.09 119.26 124.28 2imj h ALA 63 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2imj h ALA 63 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2imj h ALA 63 CO -0.04 0.67 0.24 0.35 0.00 0.00 0.00 179.25 180.47 2imj h PHE 64 N 1.12 0.63 -0.37 0.00 3.57 -0.57 -1.99 116.94 119.33 2imj h PHE 64 Ca 0.24 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2imj h PHE 64 Cb 0.31 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2imj h PHE 64 CO 0.03 0.49 0.01 -0.07 -2.23 0.00 0.00 178.31 176.54 2imj h LEU 65 N 0.59 0.55 -0.54 0.59 3.38 -0.84 0.83 115.31 119.87 2imj h LEU 65 Ca 0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2imj h LEU 65 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2imj h LEU 65 CO -0.02 0.61 0.14 0.74 0.09 0.00 0.00 178.44 180.00 2imj h THR 66 N 0.56 1.24 -0.43 0.22 2.02 -0.83 -1.99 112.91 113.70 2imj h THR 66 Ca 0.12 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 2imj h THR 66 Cb 0.34 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2imj h THR 66 CO 0.01 0.31 -0.14 0.03 0.37 0.00 0.00 175.52 176.11 2imj h ARG 67 N 0.76 0.85 -0.04 6.66 3.08 -0.94 -3.04 114.38 121.72 2imj h ARG 67 Ca 0.17 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 59.92 2imj h ARG 67 Cb 0.33 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2imj h ARG 67 CO 0.00 0.98 -0.32 -0.22 -1.07 0.00 0.00 179.97 179.34 2imj h LYS 68 N 0.68 -0.43 -0.04 0.04 3.64 -0.50 -2.35 116.57 117.62 2imj h LYS 68 Ca 0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2imj h LYS 68 Cb 0.68 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2imj h LYS 68 CO 0.05 -0.28 0.00 0.91 -2.27 0.00 0.00 179.45 177.85 2imj n TRP 69 N -5.41 0.05 0.13 1.91 8.01 -0.78 -0.18 117.44 121.17 2imj n TRP 69 Ca -0.04 -0.02 0.11 0.00 -1.31 0.00 0.00 57.50 56.24 2imj n TRP 69 Cb 0.32 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.60 2imj n TRP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2imj n ALA 70 N -0.51 2.64 -0.12 6.99 0.00 -0.92 -4.44 120.51 124.17 2imj n ALA 70 Ca 0.16 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 2imj n ALA 70 Cb 0.15 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 2imj n ALA 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2imj n LYS 71 N -2.54 0.52 -2.91 0.00 3.00 -0.91 -4.84 118.16 110.49 2imj n LYS 71 Ca -0.00 0.19 -0.44 0.00 -0.00 0.00 0.00 58.31 58.06 2imj n LYS 71 Cb 0.54 -1.38 -0.03 0.00 0.00 0.00 0.00 35.03 34.16 2imj n LYS 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2imj s GLU 72 N -2.44 3.35 0.28 1.64 2.02 0.74 -4.58 118.70 119.71 2imj s GLU 72 Ca -0.32 -1.33 -0.22 0.00 0.02 0.00 0.00 54.97 53.12 2imj s GLU 72 Cb 0.11 -4.58 -0.09 0.00 0.10 0.00 0.00 34.13 29.67 2imj s GLU 72 CO 0.45 -1.77 0.83 -0.51 0.02 0.00 0.00 175.26 174.28 2imj s LEU 73 N 3.27 4.30 -1.43 1.80 1.43 -0.85 -4.05 118.68 123.15 2imj s LEU 73 Ca 0.26 1.59 -0.08 0.00 -1.03 0.00 0.00 54.13 54.88 2imj s LEU 73 Cb -0.12 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.30 2imj s LEU 73 CO 0.00 -0.05 0.89 0.47 0.23 0.00 0.00 176.35 177.89 2imj n ASP 74 N 0.50 -3.45 -4.70 2.29 8.00 -1.26 -1.91 116.55 116.01 2imj n ASP 74 Ca 0.00 -0.78 -0.42 0.00 0.71 0.00 0.00 54.79 54.31 2imj n ASP 74 Cb 0.51 -4.04 -0.03 0.00 -0.02 0.00 0.00 41.12 37.54 2imj n ASP 74 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2imj s TYR 75 N -3.45 2.96 -0.05 1.24 6.14 -1.26 -4.43 117.35 118.50 2imj s TYR 75 Ca 0.39 0.82 0.01 0.00 0.64 0.00 0.00 57.07 58.93 2imj s TYR 75 Cb -0.19 -3.70 0.02 0.00 0.42 0.00 0.00 41.96 38.50 2imj s TYR 75 CO 0.82 -2.58 -0.06 1.03 0.64 0.00 0.00 175.55 175.40 2imj s ARG 76 N 1.92 1.05 0.09 4.97 0.52 -0.75 -4.80 118.95 121.94 2imj s ARG 76 Ca 0.65 -0.17 0.08 0.00 -0.52 0.00 0.00 55.73 55.77 2imj s ARG 76 Cb -0.34 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.08 2imj s ARG 76 CO 0.29 -0.07 -0.22 -1.17 0.02 0.00 0.00 175.30 174.14 2imj s LEU 77 N 0.94 2.25 -0.04 2.53 2.96 -1.26 -1.24 118.68 124.82 2imj s LEU 77 Ca -0.10 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.15 2imj s LEU 77 Cb -0.14 -1.00 0.03 0.00 0.50 0.00 0.00 46.19 45.58 2imj s LEU 77 CO 0.00 0.12 0.02 -0.63 -1.32 0.00 0.00 176.35 174.55 2imj s ILE 78 N -1.01 0.11 0.18 6.68 1.01 -0.55 -4.87 121.20 122.76 2imj s ILE 78 Ca 0.08 0.23 0.07 0.00 0.00 0.00 0.00 60.65 61.04 2imj s ILE 78 Cb -0.10 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2imj s ILE 78 CO 0.04 0.19 0.00 -0.54 0.00 0.00 0.00 174.94 174.63 2imj s LYS 79 N 1.72 2.41 -0.12 2.79 1.02 -1.26 -1.69 119.74 124.61 2imj s LYS 79 Ca -0.00 -1.13 -0.18 0.00 0.02 0.00 0.00 55.97 54.68 2imj s LYS 79 Cb -0.13 -2.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2imj s LYS 79 CO -0.03 0.45 0.46 -2.00 -0.92 0.00 0.00 175.35 173.31 2imj s GLU 80 N -3.02 0.64 0.39 1.68 2.12 0.49 -4.75 118.70 116.25 2imj s GLU 80 Ca 0.28 0.41 -0.26 0.00 0.36 0.00 0.00 54.97 55.76 2imj s GLU 80 Cb -0.09 0.30 -0.09 0.00 0.26 0.00 0.00 34.13 34.52 2imj s GLU 80 CO 0.19 -0.13 1.28 -1.17 -0.54 0.00 0.00 175.26 174.89 2imj s LEU 81 N -0.29 4.24 0.01 2.70 2.96 -1.26 -0.86 118.68 126.18 2imj s LEU 81 Ca -0.04 2.60 -0.04 0.00 -0.22 0.00 0.00 54.13 56.42 2imj s LEU 81 Cb -0.03 -3.88 -0.02 0.00 0.50 0.00 0.00 46.19 42.75 2imj s LEU 81 CO 0.03 -0.76 -0.09 1.87 -1.32 0.00 0.00 176.35 176.07 2imj n TRP 82 N 0.23 0.00 -3.70 5.38 -0.00 -0.23 -4.78 117.44 114.34 2imj n TRP 82 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.43 2imj n TRP 82 Cb 0.44 -0.16 -0.04 0.00 -0.00 0.00 0.00 31.31 31.55 2imj n TRP 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2imj s ALA 83 N -2.21 -0.99 -0.02 5.87 0.00 -1.12 -5.02 121.76 118.27 2imj s ALA 83 Ca -0.08 -0.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 2imj s ALA 83 Cb 0.02 0.83 0.03 0.00 0.00 0.00 0.00 23.12 24.00 2imj s ALA 83 CO 0.11 -0.78 0.36 -0.59 0.00 0.00 0.00 175.76 174.87 2imj s PHE 84 N -3.85 -0.25 -0.24 0.00 -0.12 -1.26 -0.42 117.98 111.84 2imj s PHE 84 Ca 0.08 0.37 -0.07 0.00 -0.05 0.00 0.00 56.93 57.27 2imj s PHE 84 Cb -0.01 0.14 0.11 0.00 -0.63 0.00 0.00 43.02 42.64 2imj s PHE 84 CO -0.05 -0.43 0.48 0.99 -0.05 0.00 0.00 175.22 176.16 2imj s THR 85 N -1.37 -0.75 0.00 -4.49 2.01 -0.33 -5.01 115.64 105.69 2imj s THR 85 Ca -0.13 0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2imj s THR 85 Cb -0.04 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.68 2imj s THR 85 CO 0.05 0.02 0.00 0.47 -0.69 0.00 0.00 174.62 174.47 2imj n ASP 86 N 5.40 0.00 -1.15 3.53 8.00 -1.26 -0.80 116.55 130.27 2imj n ASP 86 Ca -0.08 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.49 2imj n ASP 86 Cb 0.50 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.85 2imj n ASP 86 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2imj n ASN 87 N 7.66 3.35 -4.51 -2.24 6.94 -1.26 -1.83 115.26 123.37 2imj n ASN 87 Ca 0.00 -2.23 -0.32 0.00 -0.02 0.00 0.00 54.58 52.01 2imj n ASN 87 Cb 0.00 -0.45 -0.12 0.00 -2.36 0.00 0.00 39.78 36.85 2imj n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2imj s ARG 88 N -1.63 2.34 -0.00 -3.83 0.52 0.02 -1.45 118.95 114.92 2imj s ARG 88 Ca 0.36 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2imj s ARG 88 Cb 0.22 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 2imj s ARG 88 CO 0.20 0.58 -0.11 0.42 0.02 0.00 0.00 175.30 176.41 2imj s ILE 89 N -0.90 0.83 -0.20 1.52 1.01 -0.42 -1.19 121.20 121.85 2imj s ILE 89 Ca 0.15 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2imj s ILE 89 Cb -0.11 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 2imj s ILE 89 CO 0.05 0.18 -0.08 0.00 0.00 0.00 0.00 174.94 175.09 2imj s ALA 90 N -0.34 2.72 0.00 9.38 0.00 0.44 -0.48 121.76 133.48 2imj s ALA 90 Ca 0.03 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.94 2imj s ALA 90 Cb -0.05 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2imj s ALA 90 CO -0.00 -0.33 -0.26 0.08 0.00 0.00 0.00 175.76 175.25 2imj s VAL 91 N 1.30 2.04 0.05 0.00 1.01 0.27 -1.07 120.40 124.01 2imj s VAL 91 Ca 0.04 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.87 2imj s VAL 91 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2imj s VAL 91 CO -0.04 0.49 -0.02 -0.13 0.00 0.00 0.00 175.10 175.40 2imj s ARG 92 N -0.83 2.56 0.27 2.72 0.52 -0.04 -0.91 118.95 123.25 2imj s ARG 92 Ca 0.10 -0.78 -0.21 0.00 -0.52 0.00 0.00 55.73 54.32 2imj s ARG 92 Cb -0.10 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.86 2imj s ARG 92 CO 0.00 0.57 0.74 1.52 0.02 0.00 0.00 175.30 178.15 2imj s TYR 93 N -1.19 -0.19 -0.12 -0.53 1.13 -0.11 -0.38 117.35 115.96 2imj s TYR 93 Ca 0.22 -0.25 -0.17 0.00 -1.41 0.00 0.00 57.07 55.47 2imj s TYR 93 Cb -0.11 0.70 0.04 0.00 -1.10 0.00 0.00 41.96 41.49 2imj s TYR 93 CO 0.14 -1.19 0.43 0.00 -2.51 0.00 0.00 175.55 172.42 2imj s ALA 94 N -3.85 -1.08 -0.00 9.51 0.00 -0.68 -0.53 121.76 125.13 2imj s ALA 94 Ca 0.11 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2imj s ALA 94 Cb -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2imj s ALA 94 CO 0.06 -0.24 -0.00 1.52 0.00 0.00 0.00 175.76 177.10 2imj s TYR 95 N -0.30 0.04 0.03 0.00 -0.85 -0.27 -1.48 117.35 114.52 2imj s TYR 95 Ca -0.05 0.00 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 2imj s TYR 95 Cb -0.03 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 2imj s TYR 95 CO 0.02 -0.01 0.04 -1.21 -1.52 0.00 0.00 175.55 172.88 2imj s GLU 96 N 0.06 2.85 0.13 -3.49 2.02 -0.37 -0.20 118.70 119.69 2imj s GLU 96 Ca -0.00 -0.63 -0.25 0.00 0.02 0.00 0.00 54.97 54.11 2imj s GLU 96 Cb -0.01 -2.71 0.08 0.00 0.10 0.00 0.00 34.13 31.59 2imj s GLU 96 CO -0.00 0.60 1.09 1.67 0.02 0.00 0.00 175.26 178.63 2imj s TRP 97 N -1.23 0.01 0.04 1.61 1.48 -0.85 -1.82 118.94 118.18 2imj s TRP 97 Ca 0.24 -0.31 -0.03 0.00 -1.06 0.00 0.00 56.10 54.93 2imj s TRP 97 Cb -0.12 0.65 -0.02 0.00 -1.16 0.00 0.00 33.47 32.82 2imj s TRP 97 CO 0.16 -0.74 0.03 -3.38 -4.06 0.00 0.00 176.95 168.96 2imj s HIS 98 N -2.42 0.29 0.71 1.66 -3.43 -0.80 -0.30 115.29 110.99 2imj s HIS 98 Ca 0.20 -0.63 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 2imj s HIS 98 Cb -0.01 -0.21 0.14 0.00 -1.43 0.00 0.00 32.58 31.07 2imj s HIS 98 CO 0.03 -0.32 0.97 -0.40 -2.00 0.00 0.00 174.74 173.02 2imj n ASP 99 N 0.85 1.37 -0.90 7.38 5.68 -0.40 -2.01 116.55 128.51 2imj n ASP 99 Ca -0.19 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 2imj n ASP 99 Cb 0.58 -0.63 0.08 0.00 -1.14 0.00 0.00 41.12 40.02 2imj n ASP 99 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2imj n ASP 100 N -2.88 2.28 -0.17 -1.12 5.68 -1.26 -2.61 116.55 116.47 2imj n ASP 100 Ca 0.16 -2.24 0.02 0.00 -0.50 0.00 0.00 54.79 52.23 2imj n ASP 100 Cb 0.58 -0.55 0.03 0.00 -1.14 0.00 0.00 41.12 40.04 2imj n ASP 100 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2imj n SER 101 N 0.14 1.62 0.00 -1.12 7.64 -1.26 -4.99 113.62 115.66 2imj n SER 101 Ca 0.08 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.53 2imj n SER 101 Cb 0.52 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2imj n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2imj n GLY 102 N 0.09 0.75 3.66 0.23 0.00 -1.07 -5.04 105.19 103.80 2imj n GLY 102 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2imj n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2imj s ASN 103 N -2.50 6.89 0.19 1.61 0.02 -1.26 -4.88 114.94 115.02 2imj s ASN 103 Ca 0.00 1.10 -0.09 0.00 -1.02 0.00 0.00 52.86 52.85 2imj s ASN 103 Cb 0.00 -2.44 -0.07 0.00 0.02 0.00 0.00 41.25 38.76 2imj s ASN 103 CO 0.00 -0.46 0.51 0.26 0.02 0.00 0.00 177.10 177.43 2imj s TRP 104 N 2.50 3.47 0.04 2.20 0.52 -1.25 -1.28 118.94 125.13 2imj s TRP 104 Ca 0.36 0.83 -0.02 0.00 0.02 0.00 0.00 56.10 57.29 2imj s TRP 104 Cb -0.16 -2.22 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 2imj s TRP 104 CO 0.10 0.34 0.02 -0.06 0.02 0.00 0.00 176.95 177.36 2imj s PHE 105 N -1.71 0.32 -0.16 -1.98 0.40 0.59 -1.48 117.98 113.96 2imj s PHE 105 Ca 0.44 -0.70 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2imj s PHE 105 Cb -0.12 -0.24 0.02 0.00 0.51 0.00 0.00 43.02 43.19 2imj s PHE 105 CO 0.21 -0.32 -0.19 0.50 0.70 0.00 0.00 175.22 176.12 2imj s ARG 106 N -2.73 2.80 -0.17 0.44 3.52 -1.26 -2.00 118.95 119.55 2imj s ARG 106 Ca -0.04 -0.76 -0.07 0.00 -0.13 0.00 0.00 55.73 54.73 2imj s ARG 106 Cb -0.01 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 2imj s ARG 106 CO -0.05 -0.17 0.07 -1.12 -0.81 0.00 0.00 175.30 173.21 2imj s SER 107 N 1.23 5.73 -0.18 -2.12 0.01 0.72 -4.57 113.70 114.53 2imj s SER 107 Ca 0.02 0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.37 2imj s SER 107 Cb -0.13 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 2imj s SER 107 CO -0.10 0.22 0.01 -0.31 0.41 0.00 0.00 173.24 173.47 2imj s TYR 108 N 0.10 3.10 0.13 2.43 1.51 0.50 -1.11 117.35 124.01 2imj s TYR 108 Ca 0.06 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 2imj s TYR 108 Cb -0.12 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2imj s TYR 108 CO 0.00 -0.02 -0.09 0.20 -1.11 0.00 0.00 175.55 174.53 2imj s GLY 109 N 0.53 0.96 -0.10 0.71 0.00 0.32 -0.83 107.32 108.90 2imj s GLY 109 Ca -0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 44.72 43.30 2imj s GLY 109 CO 0.02 -1.50 -0.01 -1.31 0.00 0.00 0.00 173.10 170.30 2imj s ASN 110 N -3.00 1.99 -0.04 1.64 0.02 -0.56 -0.94 114.94 114.06 2imj s ASN 110 Ca 0.13 -0.28 0.04 0.00 -1.02 0.00 0.00 52.86 51.74 2imj s ASN 110 Cb 0.02 -0.58 -0.01 0.00 0.02 0.00 0.00 41.25 40.70 2imj s ASN 110 CO -0.01 -0.19 -0.17 -1.83 0.02 0.00 0.00 177.10 174.92 2imj s GLU 111 N 1.88 1.71 -0.16 -0.60 -1.05 -0.08 -1.50 118.70 118.89 2imj s GLU 111 Ca 0.04 -0.61 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 2imj s GLU 111 Cb -0.13 -1.51 -0.01 0.00 -0.44 0.00 0.00 34.13 32.03 2imj s GLU 111 CO -0.06 0.27 -0.11 -0.80 0.95 0.00 0.00 175.26 175.51 2imj s ASN 112 N -0.05 4.10 0.03 0.83 0.02 0.07 -0.56 114.94 119.38 2imj s ASN 112 Ca -0.02 -0.34 0.06 0.00 -1.02 0.00 0.00 52.86 51.54 2imj s ASN 112 Cb -0.11 -1.65 -0.03 0.00 0.02 0.00 0.00 41.25 39.48 2imj s ASN 112 CO 0.02 0.11 -0.14 0.26 0.02 0.00 0.00 177.10 177.37 2imj s TRP 113 N 0.67 2.66 -0.08 2.20 0.51 0.37 -1.76 118.94 123.50 2imj s TRP 113 Ca -0.06 -0.19 -0.01 0.00 -2.12 0.00 0.00 56.10 53.73 2imj s TRP 113 Cb -0.15 -1.51 0.03 0.00 -0.81 0.00 0.00 33.47 31.03 2imj s TRP 113 CO 0.02 0.29 -0.03 -2.00 -0.51 0.00 0.00 176.95 174.72 2imj s GLU 114 N -1.45 0.94 0.07 4.98 2.12 -0.84 -1.30 118.70 123.21 2imj s GLU 114 Ca 0.16 -0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.47 2imj s GLU 114 Cb -0.11 -1.14 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 2imj s GLU 114 CO 0.06 -0.25 0.05 -0.06 -0.54 0.00 0.00 175.26 174.53 2imj s PHE 115 N 1.69 3.14 0.88 5.30 0.08 -0.53 -0.71 117.98 127.83 2imj s PHE 115 Ca 0.02 0.06 -0.09 0.00 0.12 0.00 0.00 56.93 57.04 2imj s PHE 115 Cb -0.13 -1.61 0.19 0.00 -0.57 0.00 0.00 43.02 40.89 2imj s PHE 115 CO -0.05 0.51 1.20 0.16 -0.10 0.00 0.00 175.22 176.94 2imj s ASP 116 N -2.23 3.48 0.57 1.36 1.47 -0.10 -4.86 116.67 116.36 2imj s ASP 116 Ca 0.27 -0.13 0.26 0.00 1.18 0.00 0.00 52.55 54.13 2imj s ASP 116 Cb -0.12 0.02 1.66 0.00 -0.34 0.00 0.00 42.92 44.14 2imj s ASP 116 CO 0.19 -2.47 2.21 -0.33 0.68 0.00 0.00 175.17 175.46 2imj h GLU 117 N -1.22 0.00 -0.40 2.11 3.07 -1.93 -2.21 114.58 114.00 2imj h GLU 117 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 2imj h GLU 117 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2imj h GLU 117 CO 0.35 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 179.00 2imj n GLN 118 N -4.04 1.93 -0.91 2.33 3.00 -1.26 -4.62 117.38 113.81 2imj n GLN 118 Ca -0.02 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 2imj n GLN 118 Cb 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.03 2imj n GLN 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2imj n GLY 119 N 1.14 0.71 0.00 1.08 0.00 -0.83 -0.64 105.19 106.65 2imj n GLY 119 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2imj n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2imj n LEU 120 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.68 117.00 116.82 2imj n LEU 120 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2imj n LEU 120 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2imj n LEU 120 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2imj n ALA 122 N -3.00 0.11 -3.23 -1.18 0.00 0.11 -0.92 120.51 112.41 2imj n ALA 122 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2imj n ALA 122 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2imj n ALA 122 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2imj s ARG 123 N -1.00 0.25 -0.10 0.00 0.52 -1.07 -1.19 118.95 116.36 2imj s ARG 123 Ca 0.00 -0.01 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2imj s ARG 123 Cb 0.00 -0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.17 2imj s ARG 123 CO 0.00 -0.03 -0.02 0.50 0.02 0.00 0.00 175.30 175.77 2imj s ARG 124 N 0.43 0.93 -0.29 3.54 3.52 -0.38 -1.99 118.95 124.72 2imj s ARG 124 Ca -0.04 -0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.50 2imj s ARG 124 Cb -0.07 -1.32 0.07 0.00 -1.56 0.00 0.00 34.95 32.07 2imj s ARG 124 CO -0.01 -0.33 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.04 2imj s PHE 125 N 1.87 3.35 -0.07 5.12 0.08 -0.72 -1.50 117.98 126.11 2imj s PHE 125 Ca 0.04 -2.34 0.05 0.00 0.12 0.00 0.00 56.93 54.80 2imj s PHE 125 Cb -0.13 -2.16 -0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2imj s PHE 125 CO -0.06 -0.88 -0.24 0.00 -0.10 0.00 0.00 175.22 173.94 2imj s ALA 126 N 1.10 2.09 -0.08 5.36 0.00 -0.03 -0.75 121.76 129.45 2imj s ALA 126 Ca -0.05 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2imj s ALA 126 Cb -0.20 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 2imj s ALA 126 CO -0.05 0.34 -0.22 0.00 0.00 0.00 0.00 175.76 175.84 2imj s ILE 128 N 0.27 0.03 0.08 0.00 1.01 -1.26 -1.49 121.20 119.83 2imj s ILE 128 Ca -0.14 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.59 2imj s ILE 128 Cb -0.16 -0.05 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 2imj s ILE 128 CO 0.07 0.02 -0.20 0.20 0.00 0.00 0.00 174.94 175.03 2imj s ASN 129 N 0.13 2.40 0.10 3.58 -0.87 -0.01 -4.96 114.94 115.31 2imj s ASN 129 Ca -0.01 -0.62 0.01 0.00 -1.57 0.00 0.00 52.86 50.66 2imj s ASN 129 Cb -0.02 -0.15 0.01 0.00 -0.02 0.00 0.00 41.25 41.07 2imj s ASN 129 CO -0.00 0.07 0.05 0.47 -2.57 0.00 0.00 177.10 175.12 2imj n ASP 130 N 1.36 1.65 -4.10 -1.22 8.00 -1.26 -0.37 116.55 120.61 2imj n ASP 130 Ca -0.19 -1.38 -0.23 0.00 0.71 0.00 0.00 54.79 53.70 2imj n ASP 130 Cb 0.54 0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 2imj n ASP 130 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2imj s PRO 132 N -2.40 1.32 0.08 -0.24 0.02 -1.26 -4.98 135.00 127.54 2imj s PRO 132 Ca 0.04 -0.50 0.01 0.00 0.02 0.00 0.00 61.00 60.57 2imj s PRO 132 Cb -0.00 -1.22 -0.04 0.00 0.02 0.00 0.00 34.50 33.26 2imj s PRO 132 CO 0.02 0.25 -0.05 0.96 -0.33 0.00 0.00 177.00 177.85 2imj s ILE 133 N -0.11 0.52 0.34 2.83 -4.36 -0.55 -4.88 121.20 115.00 2imj s ILE 133 Ca 0.01 -1.89 -0.12 0.00 -0.26 0.00 0.00 60.65 58.39 2imj s ILE 133 Cb -0.08 -1.62 -0.08 0.00 1.25 0.00 0.00 42.46 41.93 2imj s ILE 133 CO 0.00 -0.92 0.72 -0.54 0.24 0.00 0.00 174.94 174.44 2imj s LYS 134 N -3.86 3.88 0.43 0.37 1.02 -1.26 -3.93 119.74 116.38 2imj s LYS 134 Ca 0.10 0.51 0.17 0.00 0.02 0.00 0.00 55.97 56.78 2imj s LYS 134 Cb 0.06 -2.45 1.09 0.00 -0.52 0.00 0.00 37.83 36.01 2imj s LYS 134 CO -0.07 0.11 1.89 0.00 -0.92 0.00 0.00 175.35 176.36 2imj h ALA 135 N 1.89 2.19 0.00 5.17 0.00 -1.94 0.17 119.26 126.74 2imj h ALA 135 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2imj h ALA 135 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2imj h ALA 135 CO 0.65 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2imj n GLN 136 N -4.48 0.15 0.00 0.00 0.00 -1.26 -2.11 117.38 109.68 2imj n GLN 136 Ca 0.17 0.43 0.13 0.00 0.00 0.00 0.00 57.00 57.73 2imj n GLN 136 Cb 0.63 -1.82 0.39 0.00 0.00 0.00 0.00 30.24 29.44 2imj n GLN 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2imj n GLU 137 N -2.12 0.59 -1.72 2.61 1.02 0.60 -4.94 120.64 116.69 2imj n GLU 137 Ca 0.02 -0.32 -0.43 0.00 -0.02 0.00 0.00 57.16 56.41 2imj n GLU 137 Cb 0.19 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 2imj n GLU 137 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2imj n ARG 138 N -0.92 2.34 -0.00 3.49 1.74 -0.90 -4.92 116.66 117.48 2imj n ARG 138 Ca 0.11 0.83 0.05 0.00 -0.77 0.00 0.00 57.85 58.06 2imj n ARG 138 Cb 0.33 -2.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.20 2imj n ARG 138 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2imj n LYS 139 N 1.25 1.05 -3.65 5.56 5.02 -1.26 -4.95 118.16 121.17 2imj n LYS 139 Ca 0.07 -0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2imj n LYS 139 Cb 0.36 -1.17 -0.12 0.00 -0.02 0.00 0.00 35.03 34.08 2imj n LYS 139 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2imj s PHE 140 N -2.52 3.17 0.00 2.13 0.08 -1.26 -4.96 117.98 114.62 2imj s PHE 140 Ca -0.02 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2imj s PHE 140 Cb 0.06 -2.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 2imj s PHE 140 CO 0.41 -0.29 0.55 0.72 -0.10 0.00 0.00 175.22 176.51 2imj n HIS 141 N 5.00 0.00 -1.47 0.36 8.25 -1.26 -5.04 115.22 121.06 2imj n HIS 141 Ca -0.15 -0.15 -0.32 0.00 -0.26 0.00 0.00 57.72 56.84 2imj n HIS 141 Cb 0.51 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.68 2imj n HIS 141 CO 0.00 0.00 0.00 1.67 0.64 0.00 0.00 176.34 178.65 2imj s TRP 142 N -0.30 2.48 0.20 4.41 -2.14 -1.26 -4.92 118.94 117.41 2imj s TRP 142 Ca 0.00 1.57 -0.32 0.00 2.66 0.00 0.00 56.10 60.01 2imj s TRP 142 Cb 0.00 -3.17 -0.13 0.00 -3.10 0.00 0.00 33.47 27.07 2imj s TRP 142 CO 0.00 -1.90 1.58 -2.30 -2.66 0.00 0.00 176.95 171.67 2imj n PRO 143 N -2.97 2.34 -1.61 3.25 -0.02 -1.26 -4.78 135.00 129.95 2imj n PRO 143 Ca 0.10 0.84 -0.60 0.00 -2.02 0.00 0.00 63.50 61.82 2imj n PRO 143 Cb 0.52 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.31 2imj n PRO 143 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2imj n LEU 144 N 3.13 0.96 0.00 2.45 4.77 -1.26 -4.59 117.00 122.46 2imj n LEU 144 Ca 0.15 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 2imj n LEU 144 Cb 0.32 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2imj n LEU 144 CO 0.63 -1.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 2imj n GLY 145 N 2.73 0.78 3.71 -0.72 0.00 -1.22 -5.06 105.19 105.41 2imj n GLY 145 Ca 0.24 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2imj n GLY 145 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2imj n ARG 146 N 0.00 2.33 -2.24 1.61 0.63 -1.26 -4.79 116.66 112.94 2imj n ARG 146 Ca 0.00 0.83 -0.42 0.00 -0.92 0.00 0.00 57.85 57.34 2imj n ARG 146 Cb 0.00 -2.52 -0.03 0.00 0.45 0.00 0.00 32.46 30.36 2imj n ARG 146 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2imj s ARG 147 N -0.80 4.35 0.51 -0.14 3.52 -1.26 -4.91 118.95 120.22 2imj s ARG 147 Ca 0.64 1.99 -0.22 0.00 -0.13 0.00 0.00 55.73 58.00 2imj s ARG 147 Cb -0.57 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 29.48 2imj s ARG 147 CO 0.52 -0.39 1.19 -2.30 -0.81 0.00 0.00 175.30 173.52 2imj n PRO 148 N 3.94 1.52 0.27 5.12 -0.02 -1.26 -4.87 135.00 139.70 2imj n PRO 148 Ca 0.11 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 62.24 2imj n PRO 148 Cb 0.43 -2.35 0.71 0.00 -0.02 0.00 0.00 33.50 32.28 2imj n PRO 148 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2imj h ASP 149 N 1.40 0.00 0.42 2.55 5.19 -2.03 -0.42 116.42 123.53 2imj h ASP 149 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2imj h ASP 149 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2imj h ASP 149 CO 0.56 0.05 -0.04 0.47 -3.12 0.00 0.00 179.24 177.17 2imj n ASP 150 N -4.18 0.16 -4.73 6.45 9.92 -1.26 -4.83 116.55 118.08 2imj n ASP 150 Ca -0.03 -0.41 -0.41 0.00 -0.53 0.00 0.00 54.79 53.41 2imj n ASP 150 Cb 0.13 -0.17 -0.04 0.00 -0.64 0.00 0.00 41.12 40.40 2imj n ASP 150 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2imj s HIS 151 N -2.46 3.73 0.57 1.24 2.46 -0.17 -5.02 115.29 115.65 2imj s HIS 151 Ca 0.31 1.63 -0.21 0.00 0.47 0.00 0.00 55.06 57.26 2imj s HIS 151 Cb 0.20 -2.98 -0.04 0.00 -0.13 0.00 0.00 32.58 29.63 2imj s HIS 151 CO 0.45 0.16 1.34 -0.35 -2.47 0.00 0.00 174.74 173.87 2imj n PRO 152 N 3.17 1.57 -0.98 2.88 -0.04 -1.26 -4.93 135.00 135.40 2imj n PRO 152 Ca 0.02 0.58 -0.03 0.00 -0.04 0.00 0.00 63.50 64.03 2imj n PRO 152 Cb 0.50 -2.56 0.01 0.00 -0.04 0.00 0.00 33.50 31.41 2imj n PRO 152 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2imj n GLY 153 N 0.80 1.17 0.26 0.55 0.00 -1.26 -4.83 105.19 101.88 2imj n GLY 153 Ca 0.12 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.13 2imj n GLY 153 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2imj h LEU 154 N 0.00 0.29 -0.67 0.99 5.85 -1.91 -1.65 115.31 118.21 2imj h LEU 154 Ca -0.04 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2imj h LEU 154 Cb 0.14 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2imj h LEU 154 CO 0.04 0.15 0.18 0.28 -0.34 0.00 0.00 178.44 178.75 2imj h SER 155 N 0.46 1.01 1.11 1.25 0.02 -1.94 -2.43 113.55 113.03 2imj h SER 155 Ca 0.36 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2imj h SER 155 Cb 0.49 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2imj h SER 155 CO -0.34 0.97 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.72 2imj h GLU 156 N 1.00 0.00 0.00 3.45 5.08 -1.77 -2.96 114.58 119.39 2imj h GLU 156 Ca 0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2imj h GLU 156 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2imj h GLU 156 CO -0.00 0.26 -0.69 -0.07 -1.00 0.00 0.00 179.01 177.51 2imj h LEU 157 N 0.00 0.00 0.00 1.33 3.38 -1.17 -3.47 115.31 115.38 2imj h LEU 157 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2imj h LEU 157 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2imj h LEU 157 CO 0.03 0.51 -0.05 0.61 0.09 0.00 0.00 178.44 179.64 2imj n GLY 158 N 1.26 -2.24 3.67 0.83 0.00 -0.93 -4.80 105.19 102.98 2imj n GLY 158 Ca -0.00 -1.51 -0.47 0.00 0.00 0.00 0.00 46.02 44.04 2imj n GLY 158 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2imj n LEU 159 N 0.00 3.04 -4.31 0.99 7.94 -1.26 -4.91 117.00 118.49 2imj n LEU 159 Ca 0.00 1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 55.54 2imj n LEU 159 Cb 0.06 -1.39 -0.09 0.00 0.53 0.00 0.00 43.42 42.54 2imj n LEU 159 CO 0.00 -0.30 -0.03 -1.61 -1.11 0.00 0.00 177.39 174.34 2imj s GLU 160 N 1.74 2.76 0.18 1.96 2.02 -1.26 -5.04 118.70 121.06 2imj s GLU 160 Ca 0.83 -1.47 -0.10 0.00 0.02 0.00 0.00 54.97 54.25 2imj s GLU 160 Cb -0.72 -3.96 -0.00 0.00 0.10 0.00 0.00 34.13 29.55 2imj s GLU 160 CO 0.43 -1.03 0.34 -3.38 0.02 0.00 0.00 175.26 171.64 2imj s HIS 161 N 1.51 0.34 -1.19 1.61 -3.43 -1.26 -5.16 115.29 107.72 2imj s HIS 161 Ca 0.04 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.60 2imj s HIS 161 Cb -0.24 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.93 2imj s HIS 161 CO 0.04 -0.79 0.30 0.72 -2.00 0.00 0.00 174.74 173.01