#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 2.82 -0.12 0.00 -2.07 -1.26 -5.02 119.66 114.01 2imj s GLN 6 Ca 0.00 1.91 0.01 0.00 -1.82 0.00 0.00 55.36 55.46 2imj s GLN 6 Cb 0.00 -1.90 0.02 0.00 -1.09 0.00 0.00 33.01 30.04 2imj s GLN 6 CO 0.00 -1.35 -0.14 0.08 -1.32 0.00 0.00 175.29 172.57 2imj s VAL 7 N -1.52 1.42 -0.43 3.63 1.01 -1.26 -4.91 120.40 118.34 2imj s VAL 7 Ca 0.79 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2imj s VAL 7 Cb -0.33 -1.32 0.12 0.00 0.00 0.00 0.00 36.38 34.85 2imj s VAL 7 CO 0.35 0.43 0.18 -0.13 0.00 0.00 0.00 175.10 175.94 2imj s ARG 8 N 1.21 1.57 0.70 2.72 0.52 0.24 -5.04 118.95 120.87 2imj s ARG 8 Ca -0.02 -2.14 -0.11 0.00 -0.52 0.00 0.00 55.73 52.94 2imj s ARG 8 Cb -0.14 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.40 2imj s ARG 8 CO -0.05 -1.06 1.06 -1.25 0.02 0.00 0.00 175.30 174.02 2imj s PRO 9 N 0.36 2.89 0.53 3.54 0.04 -1.26 -4.31 135.00 136.78 2imj s PRO 9 Ca 0.15 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 61.96 2imj s PRO 9 Cb -0.23 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2imj s PRO 9 CO -0.05 -1.13 1.34 -2.14 0.04 0.00 0.00 177.00 175.06 2imj s PRO 10 N -4.97 3.26 0.05 0.56 0.02 -1.26 -4.98 135.00 127.68 2imj s PRO 10 Ca 0.59 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.82 2imj s PRO 10 Cb -0.14 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 2imj s PRO 10 CO 0.54 -1.08 0.04 -0.51 -0.33 0.00 0.00 177.00 175.66 2imj s LEU 11 N -3.40 3.67 0.67 -5.54 1.43 -1.26 -4.70 118.68 109.55 2imj s LEU 11 Ca 0.70 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 2imj s LEU 11 Cb -0.39 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 2imj s LEU 11 CO 0.47 0.22 1.06 -2.16 0.23 0.00 0.00 176.35 176.16 2imj s PRO 12 N -2.04 3.03 0.35 1.29 0.04 -1.26 -4.38 135.00 132.03 2imj s PRO 12 Ca 0.25 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 2imj s PRO 12 Cb -0.12 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2imj s PRO 12 CO 0.17 -1.03 1.07 -1.25 0.04 0.00 0.00 177.00 176.00 2imj s PRO 13 N -4.83 4.34 0.54 0.56 0.04 -1.26 -4.96 135.00 129.43 2imj s PRO 13 Ca 0.59 1.63 -0.08 0.00 0.04 0.00 0.00 61.00 63.18 2imj s PRO 13 Cb -0.14 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2imj s PRO 13 CO 0.51 -0.01 0.89 -0.06 0.04 0.00 0.00 177.00 178.36 2imj s PHE 14 N -1.46 3.58 0.44 0.56 0.08 -0.69 -5.00 117.98 115.50 2imj s PHE 14 Ca 0.53 1.03 0.06 0.00 0.12 0.00 0.00 56.93 58.67 2imj s PHE 14 Cb -0.26 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 2imj s PHE 14 CO 0.33 -0.44 0.15 0.95 -0.10 0.00 0.00 175.22 176.11 2imj s THR 15 N -2.90 1.98 0.15 0.64 -4.23 -1.26 -4.73 115.64 105.28 2imj s THR 15 Ca 0.51 -1.78 -0.17 0.00 -1.18 0.00 0.00 61.69 59.07 2imj s THR 15 Cb -0.11 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2imj s THR 15 CO 0.48 0.00 1.78 -0.09 -0.54 0.00 0.00 174.62 176.25 2imj h ARG 16 N 1.39 0.37 -0.50 3.99 2.43 -1.99 -0.37 114.38 119.71 2imj h ARG 16 Ca -0.42 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2imj h ARG 16 Cb 1.27 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2imj h ARG 16 CO 0.71 0.25 0.27 0.93 -1.51 0.00 0.00 179.97 180.61 2imj h GLU 17 N 0.38 0.70 0.00 0.20 3.07 -1.99 -1.48 114.58 115.45 2imj h GLU 17 Ca 0.14 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 2imj h GLU 17 Cb 0.03 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 2imj h GLU 17 CO -0.08 0.55 -0.57 0.66 -1.40 0.00 0.00 179.01 178.17 2imj h SER 18 N 0.66 0.00 -0.34 1.42 4.64 -1.90 -2.08 113.55 115.94 2imj h SER 18 Ca 0.17 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 2imj h SER 18 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2imj h SER 18 CO -0.03 0.57 -0.15 0.00 -0.87 0.00 0.00 176.83 176.35 2imj h ALA 19 N 1.43 0.48 -0.91 5.18 0.00 -0.82 0.58 119.26 125.20 2imj h ALA 19 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2imj h ALA 19 Cb 1.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2imj h ALA 19 CO 0.07 0.39 0.52 0.82 0.00 0.00 0.00 179.25 181.05 2imj h ILE 20 N 0.49 1.26 -0.40 0.00 2.04 -1.11 -0.40 117.51 119.39 2imj h ILE 20 Ca 0.08 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 2imj h ILE 20 Cb 0.68 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2imj h ILE 20 CO 0.05 0.28 -0.09 -0.08 0.00 0.00 0.00 178.15 178.30 2imj h GLU 21 N 1.27 0.76 -0.91 2.37 4.81 -1.16 -1.43 114.58 120.30 2imj h GLU 21 Ca 0.32 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2imj h GLU 21 Cb -0.01 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 2imj h GLU 21 CO -0.06 0.90 0.59 -0.22 -0.73 0.00 0.00 179.01 179.49 2imj h LYS 22 N 0.58 1.14 -0.45 1.92 1.63 -0.37 -1.44 116.57 119.58 2imj h LYS 22 Ca 0.10 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 2imj h LYS 22 Cb 0.61 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2imj h LYS 22 CO 0.04 0.76 -0.14 0.82 -3.45 0.00 0.00 179.45 177.47 2imj h ILE 23 N 1.18 1.27 -0.51 2.00 2.04 -0.88 -2.22 117.51 120.39 2imj h ILE 23 Ca 0.35 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 2imj h ILE 23 Cb -0.06 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2imj h ILE 23 CO -0.10 0.44 0.15 -0.09 0.00 0.00 0.00 178.15 178.55 2imj h ARG 24 N 0.73 0.80 -0.69 2.37 1.12 -0.82 0.60 114.38 118.49 2imj h ARG 24 Ca 0.11 -0.18 -0.05 0.00 -1.11 0.00 0.00 59.98 58.75 2imj h ARG 24 Cb 0.69 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.51 2imj h ARG 24 CO 0.05 0.75 0.23 -0.07 -3.11 0.00 0.00 179.97 177.82 2imj h LEU 25 N 0.70 0.97 -0.42 3.80 3.38 -1.24 -0.12 115.31 122.38 2imj h LEU 25 Ca 0.16 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2imj h LEU 25 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2imj h LEU 25 CO -0.00 0.89 0.01 0.00 0.09 0.00 0.00 178.44 179.42 2imj h ALA 26 N 1.24 0.57 -0.51 1.53 0.00 -1.06 -0.93 119.26 120.10 2imj h ALA 26 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2imj h ALA 26 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2imj h ALA 26 CO -0.01 0.35 0.30 1.49 0.00 0.00 0.00 179.25 181.38 2imj h GLU 27 N 0.58 0.59 -0.77 0.00 4.81 -0.46 -0.77 114.58 118.55 2imj h GLU 27 Ca 0.12 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2imj h GLU 27 Cb 0.48 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 2imj h GLU 27 CO 0.02 0.39 0.48 -0.44 -0.73 0.00 0.00 179.01 178.73 2imj h ASP 28 N 0.61 0.78 0.26 1.04 3.32 -0.76 -0.26 116.42 121.40 2imj h ASP 28 Ca 0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2imj h ASP 28 Cb 0.02 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2imj h ASP 28 CO -0.09 0.53 -0.12 1.23 -1.72 0.00 0.00 179.24 179.06 2imj h GLY 29 N 0.93 -0.36 1.90 2.75 0.00 -0.22 -2.76 103.07 105.31 2imj h GLY 29 Ca 0.31 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.73 2imj h GLY 29 CO -0.13 -0.13 -0.17 1.49 0.00 0.00 0.00 176.54 177.60 2imj h TRP 30 N -0.37 0.13 0.00 5.60 4.06 -0.92 -1.56 115.95 122.89 2imj h TRP 30 Ca -0.04 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.90 2imj h TRP 30 Cb 0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 2imj h TRP 30 CO -0.05 0.29 0.00 0.09 -3.56 0.00 0.00 178.44 175.21 2imj n ASN 31 N -4.28 0.00 0.13 -3.49 3.02 -0.13 -1.40 115.26 109.10 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 0.27 -0.31 0.19 0.00 -0.61 0.00 0.00 39.78 39.33 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 -4.72 6.41 4.64 -1.10 -3.26 113.55 115.52 2imj h SER 32 Ca 0.00 -0.06 -0.35 0.00 -0.47 0.00 0.00 61.79 60.92 2imj h SER 32 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 2imj h SER 32 CO 0.00 0.03 -0.50 0.54 -0.87 0.00 0.00 176.83 176.03 2imj n ARG 33 N -2.55 -3.35 -3.68 4.77 1.74 -0.49 -4.93 116.66 108.16 2imj n ARG 33 Ca 0.03 0.62 -0.38 0.00 -0.77 0.00 0.00 57.85 57.35 2imj n ARG 33 Cb 0.49 -5.33 -0.10 0.00 -1.02 0.00 0.00 32.46 26.49 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 -2.51 5.44 0.25 0.55 -1.08 -1.26 -4.98 116.67 113.08 2imj s ASP 34 Ca 0.26 -1.91 -0.03 0.00 -0.52 0.00 0.00 52.55 50.34 2imj s ASP 34 Cb -0.13 -1.91 0.49 0.00 -1.46 0.00 0.00 42.92 39.92 2imj s ASP 34 CO 0.32 -0.59 1.71 -0.65 0.52 0.00 0.00 175.17 176.48 2imj h PRO 35 N 8.23 0.37 0.39 4.34 0.11 -1.91 -0.83 132.00 142.69 2imj h PRO 35 Ca -0.17 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 2imj h PRO 35 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2imj h PRO 35 CO 0.76 0.24 -0.19 1.49 -0.21 0.00 0.00 178.00 180.09 2imj h GLU 36 N 0.38 -0.50 -0.35 1.05 4.57 -1.94 -0.59 114.58 117.20 2imj h GLU 36 Ca 0.43 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.70 2imj h GLU 36 Cb 0.71 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.36 2imj h GLU 36 CO -0.46 -0.28 0.06 -0.09 -1.18 0.00 0.00 179.01 177.06 2imj h ARG 37 N -0.62 0.17 -0.65 1.92 2.43 -1.88 -2.71 114.38 113.05 2imj h ARG 37 Ca -0.05 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2imj h ARG 37 Cb 0.45 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2imj h ARG 37 CO 0.09 0.11 0.26 0.28 -1.51 0.00 0.00 179.97 179.20 2imj h VAL 38 N 0.17 1.24 -0.15 0.20 2.07 -1.12 -3.00 116.25 115.67 2imj h VAL 38 Ca 0.17 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2imj h VAL 38 Cb 0.20 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2imj h VAL 38 CO -0.23 0.29 0.10 0.77 0.02 0.00 0.00 177.57 178.52 2imj h SER 39 N 0.91 0.02 0.36 0.57 4.64 -0.78 -2.36 113.55 116.91 2imj h SER 39 Ca 0.22 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2imj h SER 39 Cb 0.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2imj h SER 39 CO -0.02 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 2imj n LEU 40 N -4.50 0.54 -0.03 5.97 4.77 -1.13 -1.71 117.00 120.92 2imj n LEU 40 Ca 0.00 0.69 0.14 0.00 -0.03 0.00 0.00 56.01 56.81 2imj n LEU 40 Cb 0.22 -0.68 0.65 0.00 -2.33 0.00 0.00 43.42 41.28 2imj n LEU 40 CO 0.35 -0.71 0.93 0.00 -1.33 0.00 0.00 177.39 176.63 2imj n ALA 41 N -1.74 2.58 -2.65 -1.18 0.00 -0.89 -4.84 120.51 111.80 2imj n ALA 41 Ca 0.01 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 2imj n ALA 41 Cb 0.13 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.69 2.89 0.79 0.00 2.02 -0.69 -4.50 117.35 115.17 2imj s TYR 42 Ca 0.24 -0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.73 2imj s TYR 42 Cb 0.20 -1.48 0.08 0.00 -0.40 0.00 0.00 41.96 40.35 2imj s TYR 42 CO 0.50 0.47 1.15 0.95 -1.57 0.00 0.00 175.55 177.04 2imj s THR 43 N -1.33 2.57 0.45 -0.71 -4.23 -1.26 -4.88 115.64 106.25 2imj s THR 43 Ca 0.25 0.22 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 2imj s THR 43 Cb -0.11 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.45 2imj s THR 43 CO 0.17 -0.21 2.04 -0.07 -0.54 0.00 0.00 174.62 176.01 2imj h LEU 44 N -0.99 0.29 -3.70 4.79 3.38 -1.97 -1.46 115.31 115.65 2imj h LEU 44 Ca -0.45 -0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.12 2imj h LEU 44 Cb 1.27 -0.06 -0.23 0.00 0.09 0.00 0.00 40.66 41.72 2imj h LEU 44 CO 0.48 0.19 0.25 -0.90 0.09 0.00 0.00 178.44 178.55 2imj n ASP 45 N -4.48 3.85 -4.69 -0.43 3.85 -1.26 -1.01 116.55 112.38 2imj n ASP 45 Ca 0.05 -3.73 -0.42 0.00 -0.71 0.00 0.00 54.79 49.98 2imj n ASP 45 Cb 0.24 -0.73 0.00 0.00 -1.35 0.00 0.00 41.12 39.28 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 -1.07 2.29 -4.04 2.12 5.66 -0.55 -4.62 114.28 114.07 2imj n THR 46 Ca 0.48 -0.50 -0.35 0.00 -3.05 0.00 0.00 64.05 60.63 2imj n THR 46 Cb 1.20 -1.53 -0.14 0.00 -1.55 0.00 0.00 70.33 68.31 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 -2.04 3.35 0.07 1.09 -1.52 -0.10 -1.63 119.66 118.88 2imj s GLN 47 Ca 0.59 -0.65 0.07 0.00 -1.95 0.00 0.00 55.36 53.41 2imj s GLN 47 Cb -0.54 -2.92 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 2imj s GLN 47 CO 0.60 -0.14 -0.18 -1.58 -0.25 0.00 0.00 175.29 173.74 2imj s TRP 48 N 1.30 1.59 -0.12 0.91 0.52 0.15 -1.27 118.94 122.02 2imj s TRP 48 Ca 0.04 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.74 2imj s TRP 48 Cb -0.14 -0.91 0.04 0.00 -1.15 0.00 0.00 33.47 31.31 2imj s TRP 48 CO -0.03 0.12 -0.00 0.50 0.02 0.00 0.00 176.95 177.55 2imj s ARG 49 N -1.52 0.78 -0.25 4.98 3.52 -0.57 -1.42 118.95 124.46 2imj s ARG 49 Ca 0.04 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 2imj s ARG 49 Cb -0.09 -1.42 0.06 0.00 -1.56 0.00 0.00 34.95 31.94 2imj s ARG 49 CO 0.03 -0.40 -0.08 1.21 -0.81 0.00 0.00 175.30 175.24 2imj s ASN 50 N 1.89 4.22 1.99 -2.12 3.84 0.77 -0.74 114.94 124.80 2imj s ASN 50 Ca 0.03 -1.33 0.00 0.00 0.21 0.00 0.00 52.86 51.77 2imj s ASN 50 Cb -0.14 -1.40 0.00 0.00 -0.55 0.00 0.00 41.25 39.16 2imj s ASN 50 CO -0.06 -0.21 0.00 0.54 -2.79 0.00 0.00 177.10 174.57 2imj n ARG 51 N 4.52 0.00 -0.83 0.43 1.74 -0.33 -1.03 116.66 121.16 2imj n ARG 51 Ca -0.13 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.03 2imj n ARG 51 Cb 0.43 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 32.26 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 12.44 3.74 -2.51 7.54 0.00 -1.26 -4.94 120.51 135.51 2imj n ALA 52 Ca 0.00 -1.95 -0.32 0.00 0.00 0.00 0.00 53.44 51.17 2imj n ALA 52 Cb 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.72 2.44 0.14 0.00 2.12 -0.20 -5.13 118.70 115.35 2imj s GLU 53 Ca 0.53 -0.75 0.10 0.00 0.36 0.00 0.00 54.97 55.20 2imj s GLU 53 Cb 0.40 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 2imj s GLU 53 CO 0.16 0.60 -0.19 -0.06 -0.54 0.00 0.00 175.26 175.23 2imj s PHE 54 N -0.85 2.48 -0.00 5.30 0.40 -1.26 -0.16 117.98 123.88 2imj s PHE 54 Ca 0.14 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2imj s PHE 54 Cb -0.11 -1.29 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 2imj s PHE 54 CO 0.04 0.41 -0.04 0.00 0.70 0.00 0.00 175.22 176.33 2imj s ALA 55 N -1.29 0.37 -0.27 5.36 0.00 -0.51 -4.99 121.76 120.44 2imj s ALA 55 Ca 0.19 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.99 2imj s ALA 55 Cb -0.10 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 22.99 2imj s ALA 55 CO 0.10 0.09 0.96 0.72 0.00 0.00 0.00 175.76 177.63 2imj n HIS 56 N 2.98 0.09 -3.73 0.00 8.25 -1.26 -0.68 115.22 120.88 2imj n HIS 56 Ca -0.13 -0.39 -0.04 0.00 -0.26 0.00 0.00 57.72 56.90 2imj n HIS 56 Cb 0.58 -0.03 -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 -0.83 -0.21 0.30 0.41 2.20 -0.65 -4.40 114.94 111.76 2imj s ASN 57 Ca 0.05 -0.37 0.00 0.00 -0.94 0.00 0.00 52.86 51.61 2imj s ASN 57 Cb 0.03 0.49 0.51 0.00 -2.00 0.00 0.00 41.25 40.29 2imj s ASN 57 CO 0.04 -0.90 1.91 -0.09 -2.94 0.00 0.00 177.10 175.12 2imj h ARG 58 N 2.00 1.02 -0.51 3.55 2.43 -1.18 -1.84 114.38 119.85 2imj h ARG 58 Ca -0.24 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.79 2imj h ARG 58 Cb 1.23 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2imj h ARG 58 CO 0.26 0.67 -0.01 1.49 -1.51 0.00 0.00 179.97 180.88 2imj h GLU 59 N 1.05 0.87 -0.34 0.20 4.57 -1.93 0.88 114.58 119.87 2imj h GLU 59 Ca 0.39 -0.25 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 2imj h GLU 59 Cb 0.17 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2imj h GLU 59 CO -0.14 0.87 -0.28 0.93 -1.18 0.00 0.00 179.01 179.21 2imj h GLU 60 N 0.80 0.70 -0.59 1.92 5.08 -1.84 -0.72 114.58 119.94 2imj h GLU 60 Ca 0.15 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2imj h GLU 60 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2imj h GLU 60 CO 0.02 0.90 0.11 0.00 -1.00 0.00 0.00 179.01 179.05 2imj h ALA 61 N 1.09 0.78 -0.74 3.43 0.00 -0.85 -1.52 119.26 121.44 2imj h ALA 61 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2imj h ALA 61 Cb 0.78 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2imj h ALA 61 CO 0.06 0.52 0.26 -0.22 0.00 0.00 0.00 179.25 179.88 2imj h LYS 62 N 0.87 1.13 -0.85 0.00 3.64 -0.51 -0.89 116.57 119.96 2imj h LYS 62 Ca 0.18 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2imj h LYS 62 Cb 0.40 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2imj h LYS 62 CO 0.01 0.95 0.42 0.00 -2.27 0.00 0.00 179.45 178.55 2imj h ALA 63 N 1.13 1.13 -0.46 5.00 0.00 -0.88 -0.30 119.26 124.89 2imj h ALA 63 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2imj h ALA 63 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2imj h ALA 63 CO -0.01 0.66 0.22 0.35 0.00 0.00 0.00 179.25 180.47 2imj h PHE 64 N 1.21 0.65 -0.35 0.00 3.57 -0.75 -2.05 116.94 119.23 2imj h PHE 64 Ca 0.29 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2imj h PHE 64 Cb 0.10 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2imj h PHE 64 CO 0.01 0.52 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.51 2imj h LEU 65 N 0.59 0.54 -0.45 0.59 3.38 -0.62 0.11 115.31 119.45 2imj h LEU 65 Ca 0.16 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2imj h LEU 65 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2imj h LEU 65 CO -0.02 0.63 0.13 0.74 0.09 0.00 0.00 178.44 180.02 2imj h THR 66 N 0.53 1.22 -0.46 0.22 2.02 -0.76 -1.91 112.91 113.77 2imj h THR 66 Ca 0.11 -0.75 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 2imj h THR 66 Cb 0.40 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2imj h THR 66 CO 0.02 0.27 0.03 0.03 0.37 0.00 0.00 175.52 176.24 2imj h ARG 67 N 0.59 0.80 -0.15 6.66 3.08 -0.93 -3.04 114.38 121.39 2imj h ARG 67 Ca 0.14 -0.24 0.05 0.00 0.07 0.00 0.00 59.98 60.01 2imj h ARG 67 Cb 0.28 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 2imj h ARG 67 CO -0.00 0.83 -0.25 -0.22 -1.07 0.00 0.00 179.97 179.26 2imj h LYS 68 N 0.65 -0.30 -0.08 0.04 3.64 -0.42 -2.44 116.57 117.67 2imj h LYS 68 Ca 0.14 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2imj h LYS 68 Cb 0.45 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2imj h LYS 68 CO 0.02 -0.20 0.00 0.91 -2.27 0.00 0.00 179.45 177.91 2imj n TRP 69 N -5.38 0.11 0.36 1.91 8.01 -0.75 -0.29 117.44 121.41 2imj n TRP 69 Ca -0.03 -0.05 0.11 0.00 -1.31 0.00 0.00 57.50 56.22 2imj n TRP 69 Cb 0.29 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.56 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 -0.27 3.14 -0.09 6.99 0.00 -0.94 -4.48 120.51 124.85 2imj n ALA 70 Ca 0.13 -0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 2imj n ALA 70 Cb 0.17 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.16 0.41 -2.94 0.00 3.00 -0.93 -4.85 118.16 110.70 2imj n LYS 71 Ca 0.00 0.13 -0.44 0.00 -0.00 0.00 0.00 58.31 58.01 2imj n LYS 71 Cb 0.49 -1.26 -0.03 0.00 0.00 0.00 0.00 35.03 34.22 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 -2.34 3.32 0.26 1.64 2.02 0.60 -4.55 118.70 119.65 2imj s GLU 72 Ca -0.24 -1.34 -0.18 0.00 0.02 0.00 0.00 54.97 53.22 2imj s GLU 72 Cb 0.08 -4.54 -0.09 0.00 0.10 0.00 0.00 34.13 29.68 2imj s GLU 72 CO 0.37 -1.75 0.74 -0.51 0.02 0.00 0.00 175.26 174.13 2imj s LEU 73 N 3.17 4.24 -1.37 1.80 1.43 -0.71 -4.06 118.68 123.18 2imj s LEU 73 Ca 0.25 1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 54.70 2imj s LEU 73 Cb -0.13 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.33 2imj s LEU 73 CO 0.01 -0.06 0.78 0.47 0.23 0.00 0.00 176.35 177.77 2imj n ASP 74 N 0.32 -2.21 -4.70 2.29 8.00 -1.26 -1.64 116.55 117.35 2imj n ASP 74 Ca 0.00 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 2imj n ASP 74 Cb 0.52 -3.99 -0.03 0.00 -0.02 0.00 0.00 41.12 37.60 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 -3.57 3.07 -0.06 1.24 6.14 -1.26 -4.38 117.35 118.53 2imj s TYR 75 Ca 0.19 0.97 0.00 0.00 0.64 0.00 0.00 57.07 58.88 2imj s TYR 75 Cb -0.10 -3.60 0.02 0.00 0.42 0.00 0.00 41.96 38.71 2imj s TYR 75 CO 0.82 -2.11 -0.04 1.03 0.64 0.00 0.00 175.55 175.89 2imj s ARG 76 N 1.89 0.92 0.08 4.97 0.52 -0.73 -4.80 118.95 121.80 2imj s ARG 76 Ca 0.62 -0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.82 2imj s ARG 76 Cb -0.31 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.13 2imj s ARG 76 CO 0.27 -0.14 -0.23 -1.17 0.02 0.00 0.00 175.30 174.05 2imj s LEU 77 N 1.21 2.23 -0.06 2.53 2.96 -1.26 -1.22 118.68 125.06 2imj s LEU 77 Ca -0.06 -0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 53.22 2imj s LEU 77 Cb -0.14 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.51 2imj s LEU 77 CO -0.02 0.16 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.51 2imj s ILE 78 N -0.95 0.53 0.19 6.68 1.01 -0.44 -4.87 121.20 123.35 2imj s ILE 78 Ca 0.09 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.78 2imj s ILE 78 Cb -0.10 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 2imj s ILE 78 CO 0.03 0.26 0.02 -0.54 0.00 0.00 0.00 174.94 174.71 2imj s LYS 79 N 1.47 2.45 -0.20 2.79 1.02 -1.26 -1.67 119.74 124.33 2imj s LYS 79 Ca -0.02 -1.12 -0.18 0.00 0.02 0.00 0.00 55.97 54.67 2imj s LYS 79 Cb -0.13 -2.37 0.05 0.00 -0.52 0.00 0.00 37.83 34.87 2imj s LYS 79 CO -0.03 0.44 0.53 -2.00 -0.92 0.00 0.00 175.35 173.38 2imj s GLU 80 N -3.09 0.61 0.37 1.68 2.12 0.55 -4.70 118.70 116.24 2imj s GLU 80 Ca 0.28 0.77 -0.28 0.00 0.36 0.00 0.00 54.97 56.10 2imj s GLU 80 Cb -0.09 0.28 -0.11 0.00 0.26 0.00 0.00 34.13 34.47 2imj s GLU 80 CO 0.19 -0.08 1.43 -1.17 -0.54 0.00 0.00 175.26 175.09 2imj s LEU 81 N 0.41 4.33 -0.02 2.70 2.96 -1.26 -0.69 118.68 127.12 2imj s LEU 81 Ca -0.01 2.94 -0.07 0.00 -0.22 0.00 0.00 54.13 56.77 2imj s LEU 81 Cb -0.04 -3.68 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2imj s LEU 81 CO -0.01 -0.80 -0.14 1.87 -1.32 0.00 0.00 176.35 175.95 2imj n TRP 82 N 0.50 0.00 -3.79 5.38 -0.00 -0.10 -4.77 117.44 114.66 2imj n TRP 82 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.42 2imj n TRP 82 Cb 0.40 -0.21 -0.04 0.00 -0.00 0.00 0.00 31.31 31.47 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 -2.35 -0.87 0.02 5.87 0.00 -1.08 -5.01 121.76 118.33 2imj s ALA 83 Ca -0.12 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 2imj s ALA 83 Cb 0.02 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.05 2imj s ALA 83 CO 0.17 -0.84 0.37 -0.59 0.00 0.00 0.00 175.76 174.87 2imj s PHE 84 N -3.90 -0.23 -0.25 0.00 -0.12 -1.26 -0.14 117.98 112.07 2imj s PHE 84 Ca 0.11 0.24 -0.08 0.00 -0.05 0.00 0.00 56.93 57.15 2imj s PHE 84 Cb -0.02 0.16 0.11 0.00 -0.63 0.00 0.00 43.02 42.65 2imj s PHE 84 CO 0.00 -0.50 0.54 0.99 -0.05 0.00 0.00 175.22 176.20 2imj s THR 85 N -2.04 -0.84 0.00 -4.49 2.01 -0.27 -5.01 115.64 105.00 2imj s THR 85 Ca -0.08 0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2imj s THR 85 Cb -0.02 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2imj s THR 85 CO 0.00 0.03 0.00 0.47 -0.69 0.00 0.00 174.62 174.43 2imj n ASP 86 N 5.42 0.00 -1.42 3.53 8.00 -1.26 -0.82 116.55 130.01 2imj n ASP 86 Ca -0.10 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.49 2imj n ASP 86 Cb 0.49 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.91 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 7.96 4.17 -4.51 -2.24 6.94 -1.26 -1.70 115.26 124.63 2imj n ASN 87 Ca 0.00 -2.32 -0.31 0.00 -0.02 0.00 0.00 54.58 51.92 2imj n ASN 87 Cb 0.00 -0.53 -0.12 0.00 -2.36 0.00 0.00 39.78 36.77 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 -1.69 2.30 -0.01 -3.83 0.52 0.00 -1.26 118.95 114.99 2imj s ARG 88 Ca 0.46 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 2imj s ARG 88 Cb 0.28 -2.32 -0.01 0.00 0.52 0.00 0.00 34.95 33.43 2imj s ARG 88 CO 0.24 0.57 -0.08 0.42 0.02 0.00 0.00 175.30 176.46 2imj s ILE 89 N -0.92 0.67 -0.19 1.52 1.01 -0.37 -1.12 121.20 121.80 2imj s ILE 89 Ca 0.15 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 2imj s ILE 89 Cb -0.11 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 2imj s ILE 89 CO 0.05 0.19 -0.05 0.00 0.00 0.00 0.00 174.94 175.13 2imj s ALA 90 N -0.17 2.84 0.01 9.38 0.00 0.80 -0.56 121.76 134.06 2imj s ALA 90 Ca 0.03 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.04 2imj s ALA 90 Cb -0.04 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2imj s ALA 90 CO -0.00 -0.15 -0.24 0.08 0.00 0.00 0.00 175.76 175.45 2imj s VAL 91 N 1.00 1.89 0.04 0.00 1.01 0.11 -0.92 120.40 123.53 2imj s VAL 91 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2imj s VAL 91 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2imj s VAL 91 CO 0.00 0.42 -0.02 -0.13 0.00 0.00 0.00 175.10 175.37 2imj s ARG 92 N -0.87 2.61 0.28 2.72 0.52 0.14 -0.89 118.95 123.46 2imj s ARG 92 Ca 0.09 -0.74 -0.21 0.00 -0.52 0.00 0.00 55.73 54.36 2imj s ARG 92 Cb -0.09 -2.56 0.02 0.00 0.52 0.00 0.00 34.95 32.83 2imj s ARG 92 CO 0.00 0.58 0.72 1.52 0.02 0.00 0.00 175.30 178.15 2imj s TYR 93 N -1.15 -0.18 -0.10 -0.53 1.13 0.01 -0.33 117.35 116.20 2imj s TYR 93 Ca 0.21 -0.29 -0.17 0.00 -1.41 0.00 0.00 57.07 55.41 2imj s TYR 93 Cb -0.11 0.71 0.04 0.00 -1.10 0.00 0.00 41.96 41.50 2imj s TYR 93 CO 0.13 -1.25 0.43 0.00 -2.51 0.00 0.00 175.55 172.35 2imj s ALA 94 N -3.87 -1.09 -0.02 9.51 0.00 -0.67 -0.35 121.76 125.27 2imj s ALA 94 Ca 0.11 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 2imj s ALA 94 Cb -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2imj s ALA 94 CO 0.07 -0.25 0.05 1.52 0.00 0.00 0.00 175.76 177.15 2imj s TYR 95 N -0.49 -0.05 -0.01 0.00 -0.85 -0.28 -1.33 117.35 114.34 2imj s TYR 95 Ca -0.06 0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 2imj s TYR 95 Cb -0.03 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2imj s TYR 95 CO 0.03 -0.03 0.00 -1.21 -1.52 0.00 0.00 175.55 172.83 2imj s GLU 96 N 0.02 2.82 0.16 -3.49 2.02 -0.36 -0.21 118.70 119.66 2imj s GLU 96 Ca -0.00 -0.58 -0.24 0.00 0.02 0.00 0.00 54.97 54.18 2imj s GLU 96 Cb -0.00 -2.69 0.08 0.00 0.10 0.00 0.00 34.13 31.61 2imj s GLU 96 CO 0.00 0.64 1.03 1.67 0.02 0.00 0.00 175.26 178.62 2imj s TRP 97 N -1.06 0.00 0.03 1.61 1.48 -0.87 -1.77 118.94 118.37 2imj s TRP 97 Ca 0.19 -0.36 -0.02 0.00 -1.06 0.00 0.00 56.10 54.85 2imj s TRP 97 Cb -0.11 0.67 -0.02 0.00 -1.16 0.00 0.00 33.47 32.84 2imj s TRP 97 CO 0.09 -0.85 -0.00 -3.38 -4.06 0.00 0.00 176.95 168.75 2imj s HIS 98 N -2.52 0.33 0.69 1.66 -3.43 -0.65 -0.42 115.29 110.95 2imj s HIS 98 Ca 0.19 -0.70 -0.00 0.00 -0.80 0.00 0.00 55.06 53.74 2imj s HIS 98 Cb -0.02 -0.25 0.14 0.00 -1.43 0.00 0.00 32.58 31.02 2imj s HIS 98 CO 0.04 -0.29 0.94 -0.40 -2.00 0.00 0.00 174.74 173.03 2imj n ASP 99 N 0.91 1.27 -1.08 7.38 5.68 -0.45 -1.74 116.55 128.52 2imj n ASP 99 Ca -0.19 -2.07 -0.01 0.00 -0.50 0.00 0.00 54.79 52.01 2imj n ASP 99 Cb 0.58 -0.61 0.10 0.00 -1.14 0.00 0.00 41.12 40.05 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 -2.92 2.72 -0.15 -1.12 5.68 -1.26 -2.68 116.55 116.83 2imj n ASP 100 Ca 0.16 -2.36 0.02 0.00 -0.50 0.00 0.00 54.79 52.11 2imj n ASP 100 Cb 0.56 -0.57 0.02 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.13 1.42 0.00 -1.12 7.64 -1.26 -4.99 113.62 115.44 2imj n SER 101 Ca 0.12 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2imj n SER 101 Cb 0.65 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.14 0.75 3.64 0.23 0.00 -1.09 -5.05 105.19 103.81 2imj n GLY 102 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.11 6.67 0.19 1.61 0.02 -1.26 -4.89 114.94 115.17 2imj s ASN 103 Ca 0.00 0.83 -0.09 0.00 -1.02 0.00 0.00 52.86 52.57 2imj s ASN 103 Cb 0.00 -2.36 -0.07 0.00 0.02 0.00 0.00 41.25 38.84 2imj s ASN 103 CO 0.00 -0.37 0.50 0.26 0.02 0.00 0.00 177.10 177.51 2imj s TRP 104 N 2.36 3.46 0.05 2.20 0.52 -1.26 -1.34 118.94 124.94 2imj s TRP 104 Ca 0.29 0.82 -0.03 0.00 0.02 0.00 0.00 56.10 57.19 2imj s TRP 104 Cb -0.16 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 29.93 2imj s TRP 104 CO 0.09 0.34 0.03 -0.06 0.02 0.00 0.00 176.95 177.37 2imj s PHE 105 N -1.72 0.37 -0.14 -1.98 0.08 0.44 -1.50 117.98 113.53 2imj s PHE 105 Ca 0.44 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.66 2imj s PHE 105 Cb -0.12 -0.27 0.02 0.00 -0.57 0.00 0.00 43.02 42.08 2imj s PHE 105 CO 0.21 -0.39 -0.14 0.50 -0.10 0.00 0.00 175.22 175.30 2imj s ARG 106 N -3.49 2.28 -0.15 0.44 3.52 -1.26 -2.06 118.95 118.23 2imj s ARG 106 Ca 0.03 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 2imj s ARG 106 Cb 0.04 -2.07 -0.04 0.00 -1.56 0.00 0.00 34.95 31.33 2imj s ARG 106 CO -0.09 -0.21 0.08 -1.12 -0.81 0.00 0.00 175.30 173.15 2imj s SER 107 N 1.40 5.79 -0.15 -2.12 0.01 0.70 -4.57 113.70 114.76 2imj s SER 107 Ca 0.03 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.45 2imj s SER 107 Cb -0.13 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 2imj s SER 107 CO -0.09 0.26 -0.04 -0.31 0.41 0.00 0.00 173.24 173.47 2imj s TYR 108 N -0.16 3.02 0.11 2.43 1.51 0.52 -1.12 117.35 123.65 2imj s TYR 108 Ca 0.08 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 2imj s TYR 108 Cb -0.12 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2imj s TYR 108 CO 0.01 -0.04 -0.04 0.20 -1.11 0.00 0.00 175.55 174.57 2imj s GLY 109 N 0.36 0.84 -0.09 0.71 0.00 0.52 -1.04 107.32 108.62 2imj s GLY 109 Ca -0.04 -1.39 -0.00 0.00 0.00 0.00 0.00 44.72 43.28 2imj s GLY 109 CO 0.03 -1.45 -0.06 -1.31 0.00 0.00 0.00 173.10 170.31 2imj s ASN 110 N -3.06 1.91 -0.04 1.64 0.02 -0.61 -0.81 114.94 113.99 2imj s ASN 110 Ca 0.15 -0.24 0.04 0.00 -1.02 0.00 0.00 52.86 51.79 2imj s ASN 110 Cb 0.06 -0.72 -0.00 0.00 0.02 0.00 0.00 41.25 40.61 2imj s ASN 110 CO -0.03 -0.12 -0.16 -1.83 0.02 0.00 0.00 177.10 174.98 2imj s GLU 111 N 1.60 1.59 -0.17 -0.60 -1.05 -0.07 -1.53 118.70 118.48 2imj s GLU 111 Ca 0.02 -0.56 -0.02 0.00 -0.15 0.00 0.00 54.97 54.26 2imj s GLU 111 Cb -0.13 -1.41 -0.02 0.00 -0.44 0.00 0.00 34.13 32.13 2imj s GLU 111 CO -0.06 0.24 -0.08 -0.80 0.95 0.00 0.00 175.26 175.51 2imj s ASN 112 N 0.00 4.31 0.03 0.83 0.02 0.36 -0.72 114.94 119.77 2imj s ASN 112 Ca -0.02 -0.30 0.06 0.00 -1.02 0.00 0.00 52.86 51.58 2imj s ASN 112 Cb -0.10 -1.70 -0.03 0.00 0.02 0.00 0.00 41.25 39.44 2imj s ASN 112 CO 0.01 0.11 -0.14 0.26 0.02 0.00 0.00 177.10 177.36 2imj s TRP 113 N 0.71 2.68 -0.06 2.20 0.51 0.28 -1.47 118.94 123.78 2imj s TRP 113 Ca -0.04 -0.18 -0.00 0.00 -2.12 0.00 0.00 56.10 53.76 2imj s TRP 113 Cb -0.15 -1.51 0.03 0.00 -0.81 0.00 0.00 33.47 31.02 2imj s TRP 113 CO 0.02 0.29 -0.02 -2.00 -0.51 0.00 0.00 176.95 174.73 2imj s GLU 114 N -1.44 0.76 0.11 4.98 2.12 -0.88 -1.24 118.70 123.11 2imj s GLU 114 Ca 0.16 -0.00 0.06 0.00 0.36 0.00 0.00 54.97 55.54 2imj s GLU 114 Cb -0.11 -0.96 -0.04 0.00 0.26 0.00 0.00 34.13 33.28 2imj s GLU 114 CO 0.06 -0.21 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.47 2imj s PHE 115 N 1.54 2.88 0.81 5.30 0.08 -0.39 -0.74 117.98 127.46 2imj s PHE 115 Ca -0.01 -0.09 -0.07 0.00 0.12 0.00 0.00 56.93 56.88 2imj s PHE 115 Cb -0.13 -1.48 0.16 0.00 -0.57 0.00 0.00 43.02 41.00 2imj s PHE 115 CO -0.03 0.47 1.12 0.16 -0.10 0.00 0.00 175.22 176.83 2imj s ASP 116 N -2.36 3.87 0.40 1.36 1.47 -0.05 -4.87 116.67 116.50 2imj s ASP 116 Ca 0.24 -0.12 0.28 0.00 1.18 0.00 0.00 52.55 54.14 2imj s ASP 116 Cb -0.11 -0.13 1.40 0.00 -0.34 0.00 0.00 42.92 43.74 2imj s ASP 116 CO 0.17 -2.20 1.86 -0.33 0.68 0.00 0.00 175.17 175.35 2imj h GLU 117 N -0.96 0.00 -0.14 2.11 5.08 -1.92 -1.83 114.58 116.91 2imj h GLU 117 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2imj h GLU 117 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2imj h GLU 117 CO 0.39 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.44 2imj n GLN 118 N -2.53 1.90 -0.69 2.33 3.00 -1.26 -4.69 117.38 115.44 2imj n GLN 118 Ca -0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 2imj n GLN 118 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 28.93 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 1.22 0.74 0.00 1.08 0.00 -0.69 -0.59 105.19 106.96 2imj n GLY 119 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.71 117.00 116.79 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 0.14 -2.97 -1.18 0.00 0.08 -0.87 120.51 112.71 2imj n ALA 122 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 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 0.43 -0.09 0.00 0.52 -1.10 -0.92 118.95 116.79 2imj s ARG 123 Ca 0.00 -0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 55.05 2imj s ARG 123 Cb 0.00 -0.44 0.04 0.00 0.52 0.00 0.00 34.95 35.06 2imj s ARG 123 CO 0.00 0.06 0.04 0.50 0.02 0.00 0.00 175.30 175.91 2imj s ARG 124 N 0.13 0.31 -0.30 3.54 3.52 -0.39 -2.08 118.95 123.68 2imj s ARG 124 Ca -0.01 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 2imj s ARG 124 Cb -0.05 -1.07 0.07 0.00 -1.56 0.00 0.00 34.95 32.34 2imj s ARG 124 CO -0.00 -0.40 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.00 2imj s PHE 125 N 2.05 3.36 -0.07 5.12 0.08 -0.54 -1.52 117.98 126.46 2imj s PHE 125 Ca 0.04 -2.27 0.05 0.00 0.12 0.00 0.00 56.93 54.87 2imj s PHE 125 Cb -0.13 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2imj s PHE 125 CO -0.05 -0.87 -0.24 0.00 -0.10 0.00 0.00 175.22 173.96 2imj s ALA 126 N 1.13 2.10 -0.06 5.36 0.00 0.08 -0.49 121.76 129.89 2imj s ALA 126 Ca -0.04 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2imj s ALA 126 Cb -0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2imj s ALA 126 CO -0.04 0.36 -0.23 0.00 0.00 0.00 0.00 175.76 175.85 2imj s ILE 128 N -0.08 -0.01 0.07 0.00 1.01 -1.26 -1.58 121.20 119.34 2imj s ILE 128 Ca -0.05 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.72 2imj s ILE 128 Cb -0.14 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 2imj s ILE 128 CO 0.04 0.02 -0.20 0.20 0.00 0.00 0.00 174.94 174.99 2imj s ASN 129 N 0.29 2.46 0.14 3.58 -0.87 -0.20 -4.96 114.94 115.38 2imj s ASN 129 Ca -0.02 -0.58 0.01 0.00 -1.57 0.00 0.00 52.86 50.70 2imj s ASN 129 Cb -0.03 -0.17 0.01 0.00 -0.02 0.00 0.00 41.25 41.03 2imj s ASN 129 CO -0.01 0.11 0.09 0.47 -2.57 0.00 0.00 177.10 175.19 2imj n ASP 130 N 1.55 1.60 -4.14 -1.22 8.00 -1.26 -0.35 116.55 120.73 2imj n ASP 130 Ca -0.18 -1.51 -0.25 0.00 0.71 0.00 0.00 54.79 53.56 2imj n ASP 130 Cb 0.53 0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.57 1.46 0.08 -0.24 0.02 -1.26 -4.98 135.00 127.52 2imj s PRO 132 Ca 0.07 -0.59 0.01 0.00 0.02 0.00 0.00 61.00 60.51 2imj s PRO 132 Cb -0.01 -1.36 -0.04 0.00 0.02 0.00 0.00 34.50 33.11 2imj s PRO 132 CO 0.04 0.32 -0.06 0.96 -0.33 0.00 0.00 177.00 177.93 2imj s ILE 133 N -0.24 0.56 0.38 2.83 -4.36 -0.56 -4.88 121.20 114.92 2imj s ILE 133 Ca 0.03 -1.90 -0.13 0.00 -0.26 0.00 0.00 60.65 58.39 2imj s ILE 133 Cb -0.08 -1.64 -0.08 0.00 1.25 0.00 0.00 42.46 41.91 2imj s ILE 133 CO 0.00 -0.91 0.78 -0.54 0.24 0.00 0.00 174.94 174.51 2imj s LYS 134 N -3.86 3.91 0.32 0.37 1.02 -1.26 -4.02 119.74 116.22 2imj s LYS 134 Ca 0.10 0.62 0.07 0.00 0.02 0.00 0.00 55.97 56.79 2imj s LYS 134 Cb 0.06 -2.38 0.78 0.00 -0.52 0.00 0.00 37.83 35.77 2imj s LYS 134 CO -0.06 0.03 1.80 0.00 -0.92 0.00 0.00 175.35 176.20 2imj h ALA 135 N 1.69 1.76 0.00 5.17 0.00 -1.95 0.45 119.26 126.38 2imj h ALA 135 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2imj h ALA 135 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2imj h ALA 135 CO 0.64 -0.09 0.00 -0.56 0.00 0.00 0.00 179.25 179.24 2imj h GLN 136 N 0.74 0.00 -0.01 0.00 -0.00 -2.04 -2.57 115.11 111.22 2imj h GLN 136 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.19 2imj h GLN 136 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.36 2imj h GLN 136 CO -0.32 0.00 -0.02 0.39 -0.00 0.00 0.00 178.83 178.88 2imj n GLU 137 N -2.42 1.37 -1.90 0.06 1.02 0.15 -4.90 120.64 114.03 2imj n GLU 137 Ca 0.01 -0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 56.11 2imj n GLU 137 Cb 0.21 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 2imj n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2imj s ARG 138 N -2.06 4.19 -0.02 3.49 0.52 -0.97 -4.92 118.95 119.18 2imj s ARG 138 Ca 0.39 2.44 0.13 0.00 -0.52 0.00 0.00 55.73 58.18 2imj s ARG 138 Cb 0.21 -3.05 -0.20 0.00 0.52 0.00 0.00 34.95 32.44 2imj s ARG 138 CO 0.36 -0.49 0.32 1.63 0.02 0.00 0.00 175.30 177.14 2imj n LYS 139 N 1.75 0.69 -3.49 3.54 5.02 -1.26 -4.94 118.16 119.47 2imj n LYS 139 Ca 0.05 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.84 2imj n LYS 139 Cb 0.39 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.83 3.22 -0.27 2.13 0.08 -1.26 -4.98 117.98 114.06 2imj s PHE 140 Ca -0.04 -0.06 0.19 0.00 0.12 0.00 0.00 56.93 57.14 2imj s PHE 140 Cb 0.09 -2.52 0.50 0.00 -0.57 0.00 0.00 43.02 40.51 2imj s PHE 140 CO 0.55 -0.34 1.12 0.72 -0.10 0.00 0.00 175.22 177.16 2imj n HIS 141 N 5.19 1.59 -3.11 0.36 8.25 -1.26 -5.04 115.22 121.20 2imj n HIS 141 Ca -0.12 -2.21 -0.19 0.00 -0.26 0.00 0.00 57.72 54.94 2imj n HIS 141 Cb 0.50 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 -3.72 3.01 0.20 4.41 -2.14 -1.26 -5.03 118.94 114.41 2imj s TRP 142 Ca 0.32 -0.15 -0.32 0.00 2.66 0.00 0.00 56.10 58.61 2imj s TRP 142 Cb 0.35 -2.29 -0.12 0.00 -3.10 0.00 0.00 33.47 28.31 2imj s TRP 142 CO -0.02 -0.33 1.72 -2.14 -2.66 0.00 0.00 176.95 173.51 2imj s PRO 143 N -4.39 4.13 -0.19 3.25 0.02 -1.26 -4.79 135.00 131.77 2imj s PRO 143 Ca 0.50 2.59 -0.42 0.00 0.02 0.00 0.00 61.00 63.69 2imj s PRO 143 Cb -0.10 -3.12 -0.19 0.00 0.02 0.00 0.00 34.50 31.10 2imj s PRO 143 CO 0.34 -0.75 1.34 1.28 -0.33 0.00 0.00 177.00 178.89 2imj n LEU 144 N 4.13 0.82 0.00 -5.54 4.77 -1.26 -4.48 117.00 115.44 2imj n LEU 144 Ca 0.16 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.30 2imj n LEU 144 Cb 0.36 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2imj n LEU 144 CO 0.64 -1.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.00 2imj n GLY 145 N 2.72 0.66 3.72 -0.72 0.00 -1.23 -5.06 105.19 105.28 2imj n GLY 145 Ca 0.24 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 2.54 -2.22 1.61 0.63 -1.26 -4.78 116.66 113.18 2imj n ARG 146 Ca 0.00 0.91 -0.42 0.00 -0.92 0.00 0.00 57.85 57.41 2imj n ARG 146 Cb 0.00 -2.66 -0.03 0.00 0.45 0.00 0.00 32.46 30.22 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 -0.34 4.28 0.56 -0.14 3.52 -1.26 -4.85 118.95 120.72 2imj s ARG 147 Ca 0.66 1.97 -0.20 0.00 -0.13 0.00 0.00 55.73 58.03 2imj s ARG 147 Cb -0.54 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 2imj s ARG 147 CO 0.47 -0.58 1.09 -2.30 -0.81 0.00 0.00 175.30 173.17 2imj n PRO 148 N 5.41 1.18 0.31 5.12 -0.02 -1.26 -4.86 135.00 140.87 2imj n PRO 148 Ca 0.13 0.44 0.19 0.00 -2.02 0.00 0.00 63.50 62.25 2imj n PRO 148 Cb 0.44 -2.27 0.95 0.00 -0.02 0.00 0.00 33.50 32.59 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 0.88 0.00 1.14 2.55 3.32 -2.03 -1.56 116.42 120.72 2imj h ASP 149 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2imj h ASP 149 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2imj h ASP 149 CO 0.53 0.02 -0.09 -0.90 -1.72 0.00 0.00 179.24 177.08 2imj n ASP 150 N -3.16 0.42 -4.73 6.45 5.75 -1.26 -4.85 116.55 115.16 2imj n ASP 150 Ca -0.01 0.44 -0.41 0.00 -0.01 0.00 0.00 54.79 54.79 2imj n ASP 150 Cb 0.18 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 39.73 2imj n ASP 150 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2imj s HIS 151 N -3.05 3.75 0.59 2.11 2.46 -0.59 -5.01 115.29 115.54 2imj s HIS 151 Ca 0.12 1.74 -0.20 0.00 0.47 0.00 0.00 55.06 57.19 2imj s HIS 151 Cb 0.16 -3.13 -0.04 0.00 -0.13 0.00 0.00 32.58 29.44 2imj s HIS 151 CO 0.59 -0.06 1.15 -2.30 -2.47 0.00 0.00 174.74 171.65 2imj n PRO 152 N 2.59 1.18 -2.00 2.88 -0.02 -1.26 -4.97 135.00 133.40 2imj n PRO 152 Ca 0.02 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 2imj n PRO 152 Cb 0.48 -2.36 0.17 0.00 -0.02 0.00 0.00 33.50 31.77 2imj n PRO 152 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2imj s GLY 153 N -1.17 1.76 0.16 -1.23 0.00 -1.26 -4.90 107.32 100.69 2imj s GLY 153 Ca 0.76 -1.21 -0.18 0.00 0.00 0.00 0.00 44.72 44.08 2imj s GLY 153 CO 0.46 -0.49 1.65 -2.00 0.00 0.00 0.00 173.10 172.73 2imj h LEU 154 N -1.47 -0.51 0.00 0.66 5.85 -1.91 -1.17 115.31 116.76 2imj h LEU 154 Ca -0.44 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2imj h LEU 154 Cb 1.25 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.57 2imj h LEU 154 CO 0.41 -0.18 0.00 -1.20 -0.34 0.00 0.00 178.44 177.12 2imj n SER 155 N -5.34 0.00 -0.86 1.25 7.64 -1.26 -3.07 113.62 111.98 2imj n SER 155 Ca 0.02 -0.45 0.08 0.00 1.01 0.00 0.00 58.87 59.52 2imj n SER 155 Cb 0.25 -0.13 0.20 0.00 -1.01 0.00 0.00 64.21 63.52 2imj n SER 155 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2imj n GLU 156 N -1.13 2.71 -0.39 1.43 1.02 -0.45 -4.40 120.64 119.43 2imj n GLU 156 Ca 0.15 -2.20 0.08 0.00 -0.02 0.00 0.00 57.16 55.17 2imj n GLU 156 Cb 0.13 -1.36 0.24 0.00 -0.02 0.00 0.00 31.44 30.42 2imj n GLU 156 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2imj n LEU 157 N 0.90 3.69 -2.37 -4.62 4.77 -1.17 -4.82 117.00 113.37 2imj n LEU 157 Ca 0.15 -2.72 -0.11 0.00 -0.03 0.00 0.00 56.01 53.31 2imj n LEU 157 Cb 0.48 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2imj n LEU 157 CO 0.11 0.69 -0.14 0.61 -1.33 0.00 0.00 177.39 177.33 2imj n GLY 158 N -0.15 -0.39 0.00 -0.72 0.00 -1.26 -5.13 105.19 97.54 2imj n GLY 158 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2imj n GLY 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36