#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ig3 s LYS 2 N 0.00 2.42 0.04 0.03 1.02 -1.26 -5.00 119.74 116.99 2ig3 s LYS 2 Ca 0.00 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.87 2ig3 s LYS 2 Cb 0.00 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 35.01 2ig3 s LYS 2 CO 0.00 0.53 1.40 -0.06 -0.92 0.00 0.00 175.35 176.30 2ig3 s PHE 3 N -0.52 2.98 -2.09 3.18 0.40 -0.38 -4.70 117.98 116.86 2ig3 s PHE 3 Ca 0.07 0.86 0.22 0.00 -0.60 0.00 0.00 56.93 57.48 2ig3 s PHE 3 Cb -0.11 -3.67 0.56 0.00 0.51 0.00 0.00 43.02 40.30 2ig3 s PHE 3 CO 0.01 -2.45 1.48 0.39 0.70 0.00 0.00 175.22 175.35 2ig3 n GLU 4 N 4.84 2.65 -4.24 0.44 1.02 -1.26 -2.04 120.64 122.05 2ig3 n GLU 4 Ca 0.12 -2.51 -0.14 0.00 -0.02 0.00 0.00 57.16 54.61 2ig3 n GLU 4 Cb 0.43 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 2ig3 n GLU 4 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2ig3 s THR 5 N -1.16 0.15 -0.19 2.62 -1.32 -1.26 -4.93 115.64 109.55 2ig3 s THR 5 Ca 0.45 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.93 2ig3 s THR 5 Cb 0.24 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.72 2ig3 s THR 5 CO 0.32 0.00 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.93 2ig3 s ILE 6 N -3.97 2.23 0.32 5.08 1.01 -1.26 -4.92 121.20 119.68 2ig3 s ILE 6 Ca 0.39 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 2ig3 s ILE 6 Cb 0.07 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.57 2ig3 s ILE 6 CO 0.14 0.48 0.49 0.54 0.00 0.00 0.00 174.94 176.59 2ig3 s ASN 7 N 1.30 0.58 0.34 3.58 6.03 -1.26 -5.01 114.94 120.50 2ig3 s ASN 7 Ca 0.04 -1.33 0.09 0.00 -1.03 0.00 0.00 52.86 50.64 2ig3 s ASN 7 Cb -0.14 0.66 0.84 0.00 -3.03 0.00 0.00 41.25 39.58 2ig3 s ASN 7 CO -0.11 -1.29 1.81 -0.61 -2.03 0.00 0.00 177.10 174.87 2ig3 h GLN 8 N 2.15 0.65 -0.01 3.55 -0.00 -1.99 -2.00 115.11 117.46 2ig3 h GLN 8 Ca -0.28 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.32 2ig3 h GLN 8 Cb 1.24 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 28.58 2ig3 h GLN 8 CO 0.39 0.43 0.00 1.49 0.00 0.00 0.00 178.83 181.14 2ig3 h GLU 9 N 0.67 0.02 -0.68 1.69 4.81 -1.99 -1.42 114.58 117.68 2ig3 h GLU 9 Ca 0.54 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.70 2ig3 h GLU 9 Cb 0.96 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 2ig3 h GLU 9 CO -0.31 0.32 0.17 0.66 -0.73 0.00 0.00 179.01 179.12 2ig3 h SER 10 N -0.28 1.03 -0.59 1.04 4.64 -1.85 -1.67 113.55 115.87 2ig3 h SER 10 Ca 0.00 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 2ig3 h SER 10 Cb 0.31 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2ig3 h SER 10 CO 0.00 1.00 0.04 0.40 -0.87 0.00 0.00 176.83 177.39 2ig3 h ILE 11 N 1.02 1.26 -0.74 0.95 2.04 -1.37 -0.62 117.51 120.05 2ig3 h ILE 11 Ca 0.21 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2ig3 h ILE 11 Cb 0.37 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2ig3 h ILE 11 CO 0.00 0.40 0.24 0.00 0.00 0.00 0.00 178.15 178.80 2ig3 h ALA 12 N 1.07 0.97 -0.55 1.87 0.00 -1.05 0.25 119.26 121.82 2ig3 h ALA 12 Ca 0.18 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2ig3 h ALA 12 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ig3 h ALA 12 CO 0.02 0.65 0.08 -0.22 0.00 0.00 0.00 179.25 179.78 2ig3 h LYS 13 N 1.10 0.93 -0.27 0.00 3.64 -1.13 -1.55 116.57 119.29 2ig3 h LYS 13 Ca 0.24 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2ig3 h LYS 13 Cb 0.29 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2ig3 h LYS 13 CO -0.01 0.90 0.13 1.25 -2.27 0.00 0.00 179.45 179.45 2ig3 h LEU 14 N 0.82 0.19 -0.81 5.20 5.85 -0.76 -1.69 115.31 124.10 2ig3 h LEU 14 Ca 0.17 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2ig3 h LEU 14 Cb 0.43 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2ig3 h LEU 14 CO 0.01 0.14 0.49 0.24 -0.34 0.00 0.00 178.44 178.99 2ig3 h MET 15 N 0.27 1.10 0.40 1.25 2.86 -0.81 0.68 114.93 120.68 2ig3 h MET 15 Ca 0.11 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2ig3 h MET 15 Cb 0.04 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2ig3 h MET 15 CO -0.08 0.77 -0.27 0.93 1.06 0.00 0.00 176.91 179.32 2ig3 h GLU 16 N 1.11 -0.63 -0.15 1.72 4.39 -1.03 -1.95 114.58 118.05 2ig3 h GLU 16 Ca 0.29 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 2ig3 h GLU 16 Cb -0.05 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2ig3 h GLU 16 CO -0.06 -0.42 0.04 0.82 -1.16 0.00 0.00 179.01 178.23 2ig3 h ILE 17 N -0.65 1.20 -0.08 3.13 2.04 -1.14 -2.52 117.51 119.49 2ig3 h ILE 17 Ca -0.04 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2ig3 h ILE 17 Cb 0.55 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2ig3 h ILE 17 CO 0.03 0.19 -0.01 0.15 0.00 0.00 0.00 178.15 178.51 2ig3 h PHE 18 N 0.05 0.15 0.00 1.37 3.57 -0.89 -2.30 116.94 118.89 2ig3 h PHE 18 Ca 0.05 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2ig3 h PHE 18 Cb 0.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2ig3 h PHE 18 CO 0.01 0.42 0.00 1.88 -2.23 0.00 0.00 178.31 178.39 2ig3 h TYR 19 N -0.16 0.00 -0.30 0.41 -1.99 -1.42 0.85 116.97 114.37 2ig3 h TYR 19 Ca 0.02 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 2ig3 h TYR 19 Cb 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 2ig3 h TYR 19 CO 0.04 0.00 -0.30 0.93 -0.00 0.00 0.00 178.16 178.83 2ig3 h GLU 20 N 0.00 0.73 -0.59 4.88 4.39 -1.42 -0.46 114.58 122.11 2ig3 h GLU 20 Ca 0.00 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 2ig3 h GLU 20 Cb 0.71 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 2ig3 h GLU 20 CO 0.00 1.01 0.36 0.87 -1.16 0.00 0.00 179.01 180.08 2ig3 h LYS 21 N 0.49 0.80 -0.40 2.33 1.57 -0.80 -2.16 116.57 118.39 2ig3 h LYS 21 Ca 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2ig3 h LYS 21 Cb 0.87 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2ig3 h LYS 21 CO 0.07 0.57 0.22 0.28 -0.57 0.00 0.00 179.45 180.02 2ig3 h VAL 22 N 0.80 1.15 -0.79 0.50 2.07 -0.83 -0.95 116.25 118.20 2ig3 h VAL 22 Ca 0.21 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2ig3 h VAL 22 Cb -0.02 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2ig3 h VAL 22 CO -0.04 0.16 0.46 -0.09 0.02 0.00 0.00 177.57 178.07 2ig3 h ARG 23 N 0.51 1.08 0.00 1.57 2.43 -1.03 -1.97 114.38 116.97 2ig3 h ARG 23 Ca 0.14 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2ig3 h ARG 23 Cb 0.06 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2ig3 h ARG 23 CO -0.02 0.77 -0.01 1.63 -1.51 0.00 0.00 179.97 180.83 2ig3 n LYS 24 N -4.37 0.23 -2.27 0.20 5.02 -0.82 -4.52 118.16 111.63 2ig3 n LYS 24 Ca 0.08 0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 2ig3 n LYS 24 Cb 0.08 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 2ig3 n LYS 24 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ig3 s ASP 25 N -4.33 6.96 0.31 4.39 2.15 -0.38 -4.93 116.67 120.84 2ig3 s ASP 25 Ca 0.11 2.34 -0.01 0.00 0.43 0.00 0.00 52.55 55.42 2ig3 s ASP 25 Cb 0.13 -2.61 0.48 0.00 -0.30 0.00 0.00 42.92 40.63 2ig3 s ASP 25 CO 0.59 -0.48 1.94 0.50 -0.17 0.00 0.00 175.17 177.56 2ig3 h LYS 26 N 5.38 0.96 0.03 4.34 3.64 -1.90 -0.46 116.57 128.56 2ig3 h LYS 26 Ca -0.45 -0.09 -0.30 0.00 -1.27 0.00 0.00 60.65 58.55 2ig3 h LYS 26 Cb 1.21 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2ig3 h LYS 26 CO 0.76 0.68 -1.64 -0.25 -2.27 0.00 0.00 179.45 176.74 2ig3 n ASP 27 N -4.38 1.95 0.06 4.20 9.92 -1.26 -4.53 116.55 122.50 2ig3 n ASP 27 Ca 0.07 0.34 -0.21 0.00 -0.53 0.00 0.00 54.79 54.46 2ig3 n ASP 27 Cb 0.08 -0.91 -0.11 0.00 -0.64 0.00 0.00 41.12 39.54 2ig3 n ASP 27 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ig3 h LEU 28 N -0.68 0.89 -0.76 0.64 3.38 -1.82 -3.39 115.31 113.57 2ig3 h LEU 28 Ca -0.42 -0.77 0.13 0.00 0.09 0.00 0.00 57.88 56.91 2ig3 h LEU 28 Cb 1.55 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 2ig3 h LEU 28 CO -0.15 1.56 -0.36 1.23 0.09 0.00 0.00 178.44 180.81 2ig3 h GLY 29 N 0.33 -0.03 0.67 0.83 0.00 -0.85 -1.11 103.07 102.91 2ig3 h GLY 29 Ca -0.15 0.47 0.06 0.00 0.00 0.00 0.00 47.33 47.71 2ig3 h GLY 29 CO 0.21 -0.21 0.37 -2.55 0.00 0.00 0.00 176.54 174.37 2ig3 h PRO 30 N -0.10 0.66 -0.16 4.80 0.11 -1.79 0.12 132.00 135.65 2ig3 h PRO 30 Ca 0.28 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.39 2ig3 h PRO 30 Cb 0.57 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 2ig3 h PRO 30 CO -0.81 0.44 -0.06 0.82 -0.21 0.00 0.00 178.00 178.18 2ig3 h ILE 31 N 0.68 0.79 -0.20 4.15 2.04 -1.41 0.11 117.51 123.68 2ig3 h ILE 31 Ca 0.30 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.10 2ig3 h ILE 31 Cb 0.20 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2ig3 h ILE 31 CO -0.19 0.00 -0.14 -0.26 0.00 0.00 0.00 178.15 177.56 2ig3 h PHE 32 N -0.03 0.52 -0.42 1.37 -1.00 -1.20 -2.55 116.94 113.63 2ig3 h PHE 32 Ca 0.09 -0.14 0.04 0.00 2.81 0.00 0.00 57.97 60.76 2ig3 h PHE 32 Cb 0.16 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 2ig3 h PHE 32 CO -0.21 0.77 0.19 -0.91 -1.61 0.00 0.00 178.31 176.54 2ig3 h ASN 33 N 0.12 0.25 0.12 2.17 2.35 -0.64 0.78 115.58 120.73 2ig3 h ASN 33 Ca 0.04 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2ig3 h ASN 33 Cb 0.66 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 2ig3 h ASN 33 CO 0.04 0.18 -0.06 0.78 -1.65 0.00 0.00 177.43 176.72 2ig3 h ASN 34 N 0.38 0.00 0.09 5.81 -0.26 -0.75 -1.48 115.58 119.37 2ig3 h ASN 34 Ca 0.18 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.59 2ig3 h ASN 34 Cb 0.12 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 2ig3 h ASN 34 CO -0.15 0.06 -1.84 0.00 -1.06 0.00 0.00 177.43 174.44 2ig3 n ALA 35 N -2.38 0.88 0.02 -0.83 0.00 -0.74 -4.66 120.51 112.81 2ig3 n ALA 35 Ca -0.03 -0.59 0.06 0.00 0.00 0.00 0.00 53.44 52.88 2ig3 n ALA 35 Cb 0.15 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 2ig3 n ALA 35 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2ig3 n ILE 36 N -3.74 0.00 0.00 0.00 -5.35 0.19 -5.10 119.36 105.36 2ig3 n ILE 36 Ca -0.33 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2ig3 n ILE 36 Cb 0.95 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 2ig3 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ig3 n GLY 37 N 1.84 -1.52 0.00 3.28 0.00 -0.56 -4.83 105.19 103.40 2ig3 n GLY 37 Ca -0.02 -2.22 0.03 0.00 0.00 0.00 0.00 46.02 43.81 2ig3 n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ig3 n THR 38 N -0.44 0.00 -1.90 2.61 -2.24 -1.26 -4.43 114.28 106.62 2ig3 n THR 38 Ca 0.00 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 2ig3 n THR 38 Cb 0.00 0.98 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 2ig3 n THR 38 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ig3 s SER 39 N -1.73 5.09 0.40 3.42 1.04 -1.26 -4.91 113.70 115.74 2ig3 s SER 39 Ca 0.03 2.27 0.09 0.00 0.48 0.00 0.00 55.95 58.82 2ig3 s SER 39 Cb 0.06 -2.58 0.83 0.00 0.10 0.00 0.00 66.02 64.42 2ig3 s SER 39 CO 0.30 -1.66 1.96 0.44 0.98 0.00 0.00 173.24 175.26 2ig3 h ASP 40 N 0.56 0.26 -0.11 7.02 3.32 -1.99 -2.41 116.42 123.07 2ig3 h ASP 40 Ca -0.49 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.37 2ig3 h ASP 40 Cb 1.28 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.77 2ig3 h ASP 40 CO 0.54 0.35 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.57 2ig3 h GLU 41 N 0.27 0.54 -0.98 3.56 5.08 -1.98 -0.23 114.58 120.84 2ig3 h GLU 41 Ca 0.06 -0.44 0.09 0.00 -1.00 0.00 0.00 59.36 58.08 2ig3 h GLU 41 Cb 0.27 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 2ig3 h GLU 41 CO 0.01 1.06 0.62 0.93 -1.00 0.00 0.00 179.01 180.63 2ig3 h GLU 42 N 0.15 1.03 -0.06 2.33 5.08 -1.86 0.10 114.58 121.34 2ig3 h GLU 42 Ca -0.03 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 2ig3 h GLU 42 Cb 1.16 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2ig3 h GLU 42 CO 0.11 0.68 -0.60 -1.49 -1.00 0.00 0.00 179.01 176.70 2ig3 h TRP 43 N 1.06 0.28 -0.37 4.33 4.06 -1.35 -2.01 115.95 121.95 2ig3 h TRP 43 Ca 0.45 -0.11 -0.13 0.00 2.06 0.00 0.00 58.89 61.16 2ig3 h TRP 43 Cb 0.31 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2ig3 h TRP 43 CO -0.01 0.77 -0.30 0.87 -3.56 0.00 0.00 178.44 176.20 2ig3 h LYS 44 N 0.16 0.79 -0.11 0.49 1.57 -0.35 -1.68 116.57 117.44 2ig3 h LYS 44 Ca -0.01 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 2ig3 h LYS 44 Cb 1.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2ig3 h LYS 44 CO 0.09 0.99 -0.41 0.93 -0.57 0.00 0.00 179.45 180.49 2ig3 h GLU 45 N 0.67 0.25 -0.13 3.15 5.08 -0.74 -1.31 114.58 121.56 2ig3 h GLU 45 Ca 0.08 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2ig3 h GLU 45 Cb 0.84 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2ig3 h GLU 45 CO 0.07 0.62 -0.16 1.25 -1.00 0.00 0.00 179.01 179.79 2ig3 h HIS 46 N 0.21 0.40 -0.82 4.33 2.76 -1.30 -2.19 115.15 118.54 2ig3 h HIS 46 Ca 0.02 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.04 2ig3 h HIS 46 Cb 0.81 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 2ig3 h HIS 46 CO 0.01 0.76 0.44 0.87 -1.30 0.00 0.00 177.93 178.71 2ig3 h LYS 47 N -0.07 1.14 0.03 5.26 1.57 -1.23 -0.65 116.57 122.62 2ig3 h LYS 47 Ca 0.02 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2ig3 h LYS 47 Cb 0.71 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2ig3 h LYS 47 CO 0.04 0.84 -0.09 0.00 -0.57 0.00 0.00 179.45 179.67 2ig3 h ALA 48 N 1.33 -0.13 0.11 3.86 0.00 -1.25 0.20 119.26 123.38 2ig3 h ALA 48 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2ig3 h ALA 48 Cb 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ig3 h ALA 48 CO -0.04 -0.60 -0.09 -0.22 0.00 0.00 0.00 179.25 178.30 2ig3 h LYS 49 N -0.18 -0.21 -0.46 0.00 3.64 -0.95 -0.85 116.57 117.57 2ig3 h LYS 49 Ca 0.03 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2ig3 h LYS 49 Cb 0.21 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2ig3 h LYS 49 CO -0.08 -0.14 0.16 0.82 -2.27 0.00 0.00 179.45 177.94 2ig3 h ILE 50 N -0.21 1.19 -0.95 2.00 1.08 -1.11 -0.48 117.51 119.02 2ig3 h ILE 50 Ca -0.00 -0.61 0.04 0.00 -0.39 0.00 0.00 64.86 63.89 2ig3 h ILE 50 Cb 0.19 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 2ig3 h ILE 50 CO -0.01 0.23 0.62 1.23 -0.69 0.00 0.00 178.15 179.53 2ig3 h GLY 51 N 0.84 1.39 1.40 5.37 0.00 -0.20 -1.17 103.07 110.70 2ig3 h GLY 51 Ca 0.16 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 2ig3 h GLY 51 CO -0.01 0.40 -0.30 3.43 0.00 0.00 0.00 176.54 180.06 2ig3 h ASN 52 N 1.19 0.70 -0.20 0.19 2.35 -0.30 -0.90 115.58 118.61 2ig3 h ASN 52 Ca 0.38 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2ig3 h ASN 52 Cb 0.01 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2ig3 h ASN 52 CO -0.12 0.95 -0.03 0.15 -1.65 0.00 0.00 177.43 176.73 2ig3 h PHE 53 N 0.58 -0.06 -0.22 1.19 3.57 -0.62 -1.49 116.94 119.88 2ig3 h PHE 53 Ca 0.07 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 2ig3 h PHE 53 Cb 0.80 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2ig3 h PHE 53 CO 0.04 -0.06 -0.50 -1.49 -2.23 0.00 0.00 178.31 174.06 2ig3 h TRP 54 N 0.03 0.77 -0.94 0.41 4.06 -1.13 -1.60 115.95 117.54 2ig3 h TRP 54 Ca 0.09 -0.26 -0.00 0.00 2.06 0.00 0.00 58.89 60.79 2ig3 h TRP 54 Cb 0.13 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 2ig3 h TRP 54 CO -0.20 1.00 0.59 0.00 -3.56 0.00 0.00 178.44 176.27 2ig3 h ALA 55 N 0.96 1.20 -0.63 1.49 0.00 -1.10 0.21 119.26 121.39 2ig3 h ALA 55 Ca 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2ig3 h ALA 55 Cb 1.05 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2ig3 h ALA 55 CO 0.10 0.64 0.06 0.78 0.00 0.00 0.00 179.25 180.83 2ig3 h GLY 56 N 1.29 1.15 1.05 0.00 0.00 -0.48 0.65 103.07 106.74 2ig3 h GLY 56 Ca 0.34 -0.79 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 2ig3 h GLY 56 CO -0.07 0.73 -0.37 1.98 0.00 0.00 0.00 176.54 178.81 2ig3 h MET 57 N 0.99 0.81 0.00 4.80 -1.53 -1.06 -3.02 114.93 115.93 2ig3 h MET 57 Ca 0.19 -0.45 -0.30 0.00 -3.44 0.00 0.00 59.70 55.70 2ig3 h MET 57 Cb 0.48 0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.50 2ig3 h MET 57 CO 0.02 1.08 -2.12 1.28 0.14 0.00 0.00 176.91 177.31 2ig3 n LEU 58 N -4.15 0.99 -0.00 3.39 4.77 0.72 -4.66 117.00 118.06 2ig3 n LEU 58 Ca -0.03 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2ig3 n LEU 58 Cb 0.53 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2ig3 n LEU 58 CO 0.47 0.55 -0.14 0.18 -1.33 0.00 0.00 177.39 177.12 2ig3 n LEU 59 N -2.76 0.27 -1.00 2.23 4.77 0.21 -5.01 117.00 115.71 2ig3 n LEU 59 Ca -0.30 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.18 2ig3 n LEU 59 Cb 0.98 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.04 2ig3 n LEU 59 CO 0.30 0.07 -0.12 0.61 -1.33 0.00 0.00 177.39 176.92 2ig3 n GLY 60 N 1.36 0.55 3.19 -0.72 0.00 -0.18 -4.96 105.19 104.43 2ig3 n GLY 60 Ca 0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 2ig3 n GLY 60 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ig3 s GLU 61 N -3.71 0.92 0.00 1.61 -1.05 -1.16 -4.94 118.70 110.37 2ig3 s GLU 61 Ca 0.00 -1.30 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 2ig3 s GLU 61 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2ig3 s GLU 61 CO 0.00 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.34 2ig3 n GLY 62 N -0.09 1.72 1.02 -3.83 0.00 -1.26 -1.81 105.19 100.94 2ig3 n GLY 62 Ca -0.08 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.84 2ig3 n GLY 62 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ig3 n ASP 63 N 0.00 4.12 -4.70 1.61 5.75 -1.26 -4.96 116.55 117.12 2ig3 n ASP 63 Ca 0.00 -3.01 -0.42 0.00 -0.01 0.00 0.00 54.79 51.35 2ig3 n ASP 63 Cb 0.00 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.50 2ig3 n ASP 63 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2ig3 s TYR 64 N -2.83 2.88 -0.00 2.11 6.14 -1.26 -4.86 117.35 119.53 2ig3 s TYR 64 Ca 0.44 0.76 0.00 0.00 0.64 0.00 0.00 57.07 58.91 2ig3 s TYR 64 Cb 0.35 -3.73 0.00 0.00 0.42 0.00 0.00 41.96 39.01 2ig3 s TYR 64 CO 0.10 -2.72 0.62 -1.71 0.64 0.00 0.00 175.55 172.48 2ig3 n ASN 65 N 5.00 0.34 -2.70 4.32 5.15 -1.26 -4.98 115.26 121.14 2ig3 n ASN 65 Ca 0.13 -1.25 -0.08 0.00 -0.60 0.00 0.00 54.58 52.78 2ig3 n ASN 65 Cb 0.43 -0.02 0.04 0.00 -0.53 0.00 0.00 39.78 39.70 2ig3 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ig3 n GLY 66 N -0.10 0.05 2.96 8.20 0.00 -1.26 -5.06 105.19 109.98 2ig3 n GLY 66 Ca 0.00 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2ig3 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ig3 s GLN 67 N -3.44 2.11 0.11 1.61 -0.21 -1.26 -5.00 119.66 113.58 2ig3 s GLN 67 Ca 0.21 -2.70 -0.21 0.00 0.02 0.00 0.00 55.36 52.68 2ig3 s GLN 67 Cb -0.01 -3.38 -0.09 0.00 1.00 0.00 0.00 33.01 30.53 2ig3 s GLN 67 CO 0.14 -1.14 1.75 -1.35 -2.12 0.00 0.00 175.29 172.58 2ig3 h PRO 68 N 6.43 0.13 -0.10 2.91 0.11 -2.00 -1.76 132.00 137.72 2ig3 h PRO 68 Ca -0.05 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.08 2ig3 h PRO 68 Cb 0.88 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 2ig3 h PRO 68 CO 0.70 0.08 -0.05 1.25 -0.21 0.00 0.00 178.00 179.77 2ig3 h LEU 69 N 0.13 -0.15 -0.79 2.35 5.85 -2.00 -2.62 115.31 118.07 2ig3 h LEU 69 Ca 0.05 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.91 2ig3 h LEU 69 Cb 0.01 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2ig3 h LEU 69 CO -0.04 -0.06 0.43 0.11 -0.34 0.00 0.00 178.44 178.54 2ig3 h LYS 70 N -0.04 0.70 -0.49 1.25 1.57 -1.92 -0.30 116.57 117.34 2ig3 h LYS 70 Ca 0.05 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2ig3 h LYS 70 Cb 0.12 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 2ig3 h LYS 70 CO -0.12 0.46 0.15 0.87 -0.57 0.00 0.00 179.45 180.24 2ig3 h LYS 71 N 0.72 0.31 -0.07 3.15 1.79 -1.04 0.82 116.57 122.25 2ig3 h LYS 71 Ca 0.39 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.68 2ig3 h LYS 71 Cb 0.40 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2ig3 h LYS 71 CO -0.27 0.20 -0.65 0.45 -1.08 0.00 0.00 179.45 178.10 2ig3 h HIS 72 N 0.32 0.35 -0.76 -1.35 3.86 -1.03 -2.52 115.15 114.02 2ig3 h HIS 72 Ca 0.24 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2ig3 h HIS 72 Cb 0.27 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 2ig3 h HIS 72 CO -0.18 0.84 0.38 1.25 0.86 0.00 0.00 177.93 181.09 2ig3 h LEU 73 N 0.19 0.96 -0.01 2.43 5.85 -0.72 -3.03 115.31 120.98 2ig3 h LEU 73 Ca -0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2ig3 h LEU 73 Cb 1.19 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2ig3 h LEU 73 CO 0.10 0.80 -0.02 0.47 -0.34 0.00 0.00 178.44 179.45 2ig3 n ASP 74 N -4.34 0.04 -4.78 1.25 8.00 0.25 -4.84 116.55 112.14 2ig3 n ASP 74 Ca 0.07 0.15 -0.35 0.00 0.71 0.00 0.00 54.79 55.37 2ig3 n ASP 74 Cb 0.12 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 2ig3 n ASP 74 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ig3 s LEU 75 N -2.79 3.83 0.29 0.64 1.43 -0.97 -4.97 118.68 116.14 2ig3 s LEU 75 Ca 0.21 2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 2ig3 s LEU 75 Cb 0.20 -4.50 -0.12 0.00 0.03 0.00 0.00 46.19 41.79 2ig3 s LEU 75 CO 0.50 -1.07 1.45 -2.65 0.23 0.00 0.00 176.35 174.82 2ig3 n PRO 76 N -1.05 2.34 -1.62 1.29 -0.02 -1.26 -4.86 135.00 129.82 2ig3 n PRO 76 Ca 0.10 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 62.01 2ig3 n PRO 76 Cb 0.51 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2ig3 n PRO 76 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ig3 n PRO 77 N 1.60 1.23 -4.04 0.52 -0.02 -1.26 -5.04 135.00 128.00 2ig3 n PRO 77 Ca 0.08 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.94 2ig3 n PRO 77 Cb 0.35 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 2ig3 n PRO 77 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2ig3 s PHE 78 N -1.37 0.43 0.35 6.00 -0.71 -1.26 -5.14 117.98 116.28 2ig3 s PHE 78 Ca 0.67 -0.92 -0.28 0.00 -1.04 0.00 0.00 56.93 55.35 2ig3 s PHE 78 Cb -0.50 -0.31 -0.11 0.00 -1.21 0.00 0.00 43.02 40.89 2ig3 s PHE 78 CO 0.54 -0.39 1.38 -2.14 -1.34 0.00 0.00 175.22 173.27 2ig3 s PRO 79 N -3.63 4.26 0.46 1.99 0.02 -1.26 -4.91 135.00 131.93 2ig3 s PRO 79 Ca 0.04 2.36 0.17 0.00 0.02 0.00 0.00 61.00 63.59 2ig3 s PRO 79 Cb 0.06 -3.03 1.14 0.00 0.02 0.00 0.00 34.50 32.68 2ig3 s PRO 79 CO -0.09 -0.33 1.97 0.37 -0.33 0.00 0.00 177.00 178.59 2ig3 h GLN 80 N 3.25 0.28 -0.10 5.54 4.15 -2.01 -1.23 115.11 125.00 2ig3 h GLN 80 Ca -0.50 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.93 2ig3 h GLN 80 Cb 1.23 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2ig3 h GLN 80 CO 0.65 0.19 0.16 0.93 -1.93 0.00 0.00 178.83 178.83 2ig3 h GLU 81 N 0.29 0.00 0.00 1.69 3.07 -2.03 -1.52 114.58 116.08 2ig3 h GLU 81 Ca 0.29 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 2ig3 h GLU 81 Cb 0.74 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2ig3 h GLU 81 CO -0.07 0.00 -0.05 0.74 -1.40 0.00 0.00 179.01 178.23 2ig3 h PHE 82 N 0.00 0.00 -0.28 4.33 0.05 -1.59 -2.05 116.94 117.40 2ig3 h PHE 82 Ca 0.05 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.76 2ig3 h PHE 82 Cb 0.37 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.30 2ig3 h PHE 82 CO 0.00 0.05 -0.16 0.74 -0.18 0.00 0.00 178.31 178.76 2ig3 h PHE 83 N 0.00 0.52 -0.76 -0.55 -1.00 -1.47 -0.97 116.94 112.71 2ig3 h PHE 83 Ca -0.00 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.70 2ig3 h PHE 83 Cb 0.21 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.60 2ig3 h PHE 83 CO 0.00 0.62 0.48 0.93 -1.61 0.00 0.00 178.31 178.73 2ig3 h GLU 84 N 0.44 1.01 0.12 1.51 5.08 -1.55 -1.81 114.58 119.37 2ig3 h GLU 84 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2ig3 h GLU 84 Cb 0.53 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ig3 h GLU 84 CO 0.03 0.69 -0.06 0.82 -1.00 0.00 0.00 179.01 179.50 2ig3 h ILE 85 N 1.03 1.05 -0.53 3.13 2.04 -1.40 -1.12 117.51 121.70 2ig3 h ILE 85 Ca 0.27 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.53 2ig3 h ILE 85 Cb -0.08 1.49 -0.10 0.00 -0.74 0.00 0.00 36.82 37.40 2ig3 h ILE 85 CO -0.06 0.17 -0.08 -0.25 0.00 0.00 0.00 178.15 177.93 2ig3 h TRP 86 N -0.50 -0.18 -0.54 1.37 7.01 -1.19 -0.58 115.95 121.34 2ig3 h TRP 86 Ca -0.02 0.04 -0.11 0.00 2.11 0.00 0.00 58.89 60.91 2ig3 h TRP 86 Cb 0.40 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 2ig3 h TRP 86 CO 0.03 -0.19 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.31 2ig3 h LEU 87 N 0.04 1.02 0.19 0.65 3.38 -1.31 -0.21 115.31 119.08 2ig3 h LEU 87 Ca 0.26 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2ig3 h LEU 87 Cb 0.41 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2ig3 h LEU 87 CO -0.51 1.13 -0.10 0.50 0.09 0.00 0.00 178.44 179.55 2ig3 h LYS 88 N 0.91 -0.26 -0.71 1.13 3.64 -0.41 -0.96 116.57 119.90 2ig3 h LYS 88 Ca 0.14 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2ig3 h LYS 88 Cb 0.68 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2ig3 h LYS 88 CO 0.05 -0.18 0.36 -0.07 -2.27 0.00 0.00 179.45 177.34 2ig3 h LEU 89 N -0.27 0.90 -0.27 5.20 4.07 -1.09 -1.48 115.31 122.36 2ig3 h LEU 89 Ca -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 2ig3 h LEU 89 Cb 0.22 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2ig3 h LEU 89 CO 0.04 0.75 0.05 0.15 -1.08 0.00 0.00 178.44 178.34 2ig3 h PHE 90 N 1.00 0.47 -0.55 1.13 3.04 -0.86 -1.57 116.94 119.60 2ig3 h PHE 90 Ca 0.25 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 2ig3 h PHE 90 Cb 0.07 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 2ig3 h PHE 90 CO 0.01 0.54 0.29 1.49 -2.02 0.00 0.00 178.31 178.62 2ig3 h GLU 91 N 0.26 0.76 -0.54 1.11 4.81 -1.03 0.09 114.58 120.05 2ig3 h GLU 91 Ca 0.08 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2ig3 h GLU 91 Cb 0.32 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2ig3 h GLU 91 CO 0.00 0.60 0.22 0.93 -0.73 0.00 0.00 179.01 180.03 2ig3 h GLU 92 N 0.73 0.42 -0.37 1.92 5.08 -1.22 -0.43 114.58 120.70 2ig3 h GLU 92 Ca 0.19 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2ig3 h GLU 92 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2ig3 h GLU 92 CO -0.03 0.28 0.11 0.77 -1.00 0.00 0.00 179.01 179.14 2ig3 h SER 93 N 0.43 0.55 -0.71 1.42 0.02 -0.86 -2.43 113.55 111.97 2ig3 h SER 93 Ca 0.25 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2ig3 h SER 93 Cb 0.25 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 2ig3 h SER 93 CO -0.23 0.62 0.43 -0.07 -1.14 0.00 0.00 176.83 176.44 2ig3 h LEU 94 N 0.46 0.67 -2.02 5.07 3.38 -0.75 -1.92 115.31 120.20 2ig3 h LEU 94 Ca 0.12 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2ig3 h LEU 94 Cb 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2ig3 h LEU 94 CO -0.00 0.45 0.02 -1.13 0.09 0.00 0.00 178.44 177.87 2ig3 h ASN 95 N 0.81 0.00 0.04 -0.43 -1.24 -0.84 0.29 115.58 114.20 2ig3 h ASN 95 Ca 0.31 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.10 2ig3 h ASN 95 Cb 0.12 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.19 2ig3 h ASN 95 CO -0.15 0.00 -0.87 0.40 -1.29 0.00 0.00 177.43 175.52 2ig3 h ILE 96 N 0.00 1.37 0.21 2.57 2.04 -0.89 -3.39 117.51 119.42 2ig3 h ILE 96 Ca 0.02 -2.24 -0.35 0.00 1.00 0.00 0.00 64.86 63.29 2ig3 h ILE 96 Cb 0.06 2.61 0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2ig3 h ILE 96 CO -0.00 0.67 -1.64 0.58 0.00 0.00 0.00 178.15 177.76 2ig3 h VAL 97 N 0.08 1.08 -3.34 1.67 2.07 -0.83 -3.47 116.25 113.52 2ig3 h VAL 97 Ca -0.12 -2.60 -0.66 0.00 0.82 0.00 0.00 66.70 64.14 2ig3 h VAL 97 Cb 1.57 2.88 -0.18 0.00 -1.52 0.00 0.00 31.29 34.03 2ig3 h VAL 97 CO 0.17 0.84 -0.81 -0.31 0.02 0.00 0.00 177.57 177.48 2ig3 s TYR 98 N -2.59 2.38 1.19 1.57 1.51 0.97 -1.25 117.35 121.13 2ig3 s TYR 98 Ca -0.13 -0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 55.44 2ig3 s TYR 98 Cb 0.05 -1.21 0.28 0.00 -0.11 0.00 0.00 41.96 40.97 2ig3 s TYR 98 CO 0.89 0.46 1.04 0.54 -1.11 0.00 0.00 175.55 177.38 2ig3 s ASN 99 N -2.53 0.95 0.28 2.29 4.22 -0.87 -4.56 114.94 114.72 2ig3 s ASN 99 Ca 0.20 1.09 -0.02 0.00 -2.14 0.00 0.00 52.86 51.99 2ig3 s ASN 99 Cb -0.09 -1.66 0.41 0.00 1.28 0.00 0.00 41.25 41.20 2ig3 s ASN 99 CO 0.10 -4.16 1.93 -0.08 -2.04 0.00 0.00 177.10 172.85 2ig3 h GLU 100 N -2.60 1.14 0.37 3.55 4.57 -1.95 -1.77 114.58 117.89 2ig3 h GLU 100 Ca -0.53 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 57.56 2ig3 h GLU 100 Cb 1.33 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2ig3 h GLU 100 CO 0.45 0.76 -0.18 1.49 -1.18 0.00 0.00 179.01 180.35 2ig3 h GLU 101 N 1.18 -0.48 -0.23 1.92 4.81 -1.97 -2.00 114.58 117.81 2ig3 h GLU 101 Ca 0.36 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.59 2ig3 h GLU 101 Cb -0.01 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2ig3 h GLU 101 CO -0.11 -0.24 -0.00 0.52 -0.73 0.00 0.00 179.01 178.45 2ig3 h MET 102 N -0.64 0.41 -0.80 1.92 2.86 -1.88 -3.03 114.93 113.77 2ig3 h MET 102 Ca -0.05 -0.13 0.19 0.00 -2.06 0.00 0.00 59.70 57.65 2ig3 h MET 102 Cb 0.46 -0.04 -0.13 0.00 0.06 0.00 0.00 31.60 31.96 2ig3 h MET 102 CO 0.08 0.60 0.18 -0.22 1.06 0.00 0.00 176.91 178.61 2ig3 h LYS 103 N 0.18 0.22 -0.00 1.72 3.64 -1.35 -1.96 116.57 119.01 2ig3 h LYS 103 Ca 0.06 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2ig3 h LYS 103 Cb 0.41 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2ig3 h LYS 103 CO 0.01 0.15 -0.62 -0.91 -2.27 0.00 0.00 179.45 175.80 2ig3 h ASN 104 N 0.23 0.00 -0.31 4.20 2.35 -1.26 -0.78 115.58 120.02 2ig3 h ASN 104 Ca 0.47 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.19 2ig3 h ASN 104 Cb 0.88 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 2ig3 h ASN 104 CO -0.59 0.63 0.06 0.58 -1.65 0.00 0.00 177.43 176.46 2ig3 h VAL 105 N 0.00 1.22 0.05 2.81 2.07 -1.26 -2.58 116.25 118.56 2ig3 h VAL 105 Ca -0.01 -0.76 -0.28 0.00 0.82 0.00 0.00 66.70 66.48 2ig3 h VAL 105 Cb 1.10 1.14 0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2ig3 h VAL 105 CO 0.08 0.25 -1.12 0.40 0.02 0.00 0.00 177.57 177.21 2ig3 h ILE 106 N 0.33 1.28 -0.55 4.57 2.04 -1.30 -2.88 117.51 121.00 2ig3 h ILE 106 Ca 0.09 -2.32 0.04 0.00 1.00 0.00 0.00 64.86 63.67 2ig3 h ILE 106 Cb 0.31 2.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 2ig3 h ILE 106 CO 0.00 0.71 0.31 0.25 0.00 0.00 0.00 178.15 179.43 2ig3 h LEU 107 N 0.34 0.48 -0.70 1.44 5.85 -1.22 -1.35 115.31 120.15 2ig3 h LEU 107 Ca -0.15 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.67 2ig3 h LEU 107 Cb 1.78 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.66 2ig3 h LEU 107 CO 0.22 0.33 0.35 -0.61 -0.34 0.00 0.00 178.44 178.38 2ig3 h GLN 108 N 0.61 0.58 -0.43 1.25 -0.00 -1.49 0.15 115.11 115.77 2ig3 h GLN 108 Ca 0.23 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.82 2ig3 h GLN 108 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 2ig3 h GLN 108 CO -0.13 0.38 0.14 0.00 0.00 0.00 0.00 178.83 179.22 2ig3 h ARG 109 N 0.59 0.67 -0.79 1.69 2.47 -1.17 -1.70 114.38 116.14 2ig3 h ARG 109 Ca 0.34 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.89 2ig3 h ARG 109 Cb 0.35 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 2ig3 h ARG 109 CO -0.26 0.64 0.35 0.00 0.56 0.00 0.00 179.97 181.26 2ig3 h ALA 110 N 0.99 1.02 -0.57 0.04 0.00 -0.72 -2.24 119.26 117.78 2ig3 h ALA 110 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ig3 h ALA 110 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2ig3 h ALA 110 CO -0.01 0.61 0.26 1.96 0.00 0.00 0.00 179.25 182.08 2ig3 h GLN 111 N 1.13 0.82 -0.46 0.00 4.20 -0.51 -0.10 115.11 120.19 2ig3 h GLN 111 Ca 0.27 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.86 2ig3 h GLN 111 Cb 0.16 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2ig3 h GLN 111 CO -0.03 0.68 0.30 1.98 -0.67 0.00 0.00 178.83 181.09 2ig3 h MET 112 N 0.77 0.60 -0.30 1.46 4.05 -1.12 -0.40 114.93 119.98 2ig3 h MET 112 Ca 0.19 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 2ig3 h MET 112 Cb 0.13 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2ig3 h MET 112 CO -0.02 0.40 0.06 0.82 0.23 0.00 0.00 176.91 178.40 2ig3 h ILE 113 N 0.62 1.22 -0.78 1.77 2.04 -1.24 -2.35 117.51 118.80 2ig3 h ILE 113 Ca 0.17 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2ig3 h ILE 113 Cb -0.07 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2ig3 h ILE 113 CO -0.04 0.25 0.48 0.00 0.00 0.00 0.00 178.15 178.84 2ig3 h ALA 114 N 0.89 0.99 -0.75 1.87 0.00 -0.83 0.13 119.26 121.56 2ig3 h ALA 114 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ig3 h ALA 114 Cb 0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ig3 h ALA 114 CO 0.00 0.44 0.40 1.03 0.00 0.00 0.00 179.25 181.12 2ig3 h SER 115 N 1.06 0.95 -0.27 0.00 0.87 -1.06 -0.29 113.55 114.81 2ig3 h SER 115 Ca 0.28 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 2ig3 h SER 115 Cb -0.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 2ig3 h SER 115 CO -0.06 0.78 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.28 2ig3 h HIS 116 N 1.04 0.53 -0.57 2.24 6.17 -0.79 -1.86 115.15 121.91 2ig3 h HIS 116 Ca 0.26 -0.09 0.08 0.00 0.71 0.00 0.00 60.37 61.32 2ig3 h HIS 116 Cb 0.05 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 29.79 2ig3 h HIS 116 CO 0.00 0.64 0.24 0.74 0.71 0.00 0.00 177.93 180.26 2ig3 h PHE 117 N 0.26 0.43 -0.47 5.26 0.05 -0.59 -2.48 116.94 119.39 2ig3 h PHE 117 Ca 0.08 0.03 -0.10 0.00 3.82 0.00 0.00 57.97 61.79 2ig3 h PHE 117 Cb 0.44 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 38.27 2ig3 h PHE 117 CO 0.04 0.15 -0.09 1.96 -0.18 0.00 0.00 178.31 180.19 2ig3 h GLN 118 N 0.44 0.89 0.00 1.51 4.20 -0.82 0.37 115.11 121.71 2ig3 h GLN 118 Ca 0.28 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2ig3 h GLN 118 Cb 0.29 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2ig3 h GLN 118 CO -0.25 0.97 -0.14 -0.91 -0.67 0.00 0.00 178.83 177.83 2ig3 h ASN 119 N 0.74 0.00 0.59 1.46 2.35 -1.27 -2.61 115.58 116.84 2ig3 h ASN 119 Ca 0.12 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.59 2ig3 h ASN 119 Cb 0.63 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 2ig3 h ASN 119 CO 0.04 0.14 -1.50 0.24 -1.65 0.00 0.00 177.43 174.70 2ig3 h MET 120 N 0.00 0.07 0.00 0.81 2.86 -1.00 -3.41 114.93 114.27 2ig3 h MET 120 Ca -0.00 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2ig3 h MET 120 Cb 0.26 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2ig3 h MET 120 CO 0.02 0.81 -1.61 1.28 1.06 0.00 0.00 176.91 178.47 2ig3 n LEU 121 N -3.25 0.48 -3.98 1.22 4.77 0.08 -4.92 117.00 111.41 2ig3 n LEU 121 Ca -0.13 0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 2ig3 n LEU 121 Cb 1.02 0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 42.02 2ig3 n LEU 121 CO 0.47 0.05 -0.44 -0.31 -1.33 0.00 0.00 177.39 175.82 2ig3 s TYR 122 N -3.18 1.14 0.01 -1.77 1.51 -1.00 -5.02 117.35 109.05 2ig3 s TYR 122 Ca -0.05 -0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 2ig3 s TYR 122 Cb 0.10 -0.87 -0.34 0.00 -0.11 0.00 0.00 41.96 40.75 2ig3 s TYR 122 CO 0.84 -0.21 0.99 -0.22 -1.11 0.00 0.00 175.55 175.84 2ig3 h LYS 123 N 6.90 0.50 0.00 -0.62 3.64 -1.89 -3.44 116.57 121.67 2ig3 h LYS 123 Ca -0.34 -0.81 0.00 0.00 -1.27 0.00 0.00 60.65 58.23 2ig3 h LYS 123 Cb 1.17 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2ig3 h LYS 123 CO 0.48 1.39 0.00 0.98 -2.27 0.00 0.00 179.45 180.02 2ig3 n TYR 124 N -3.84 0.00 0.00 1.91 -0.00 -1.26 -4.94 117.16 109.04 2ig3 n TYR 124 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 2ig3 n TYR 124 Cb 1.02 -0.12 0.00 0.00 -0.00 0.00 0.00 39.34 40.24 2ig3 n TYR 124 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ig3 n GLY 125 N -2.00 1.37 0.00 2.98 0.00 -1.26 -5.15 105.19 101.13 2ig3 n GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ig3 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ig3 n GLY 126 N 4.21 -2.24 3.59 -0.02 0.00 -1.26 -5.31 105.19 104.16 2ig3 n GLY 126 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2ig3 n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74