#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rc3 s LYS 24 N 0.00 1.99 0.55 2.12 1.02 -1.26 -5.01 119.74 119.15 2rc3 s LYS 24 Ca 0.00 -1.00 -0.13 0.00 0.02 0.00 0.00 55.97 54.86 2rc3 s LYS 24 Cb 0.00 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 2rc3 s LYS 24 CO 0.00 0.54 0.98 0.95 -0.92 0.00 0.00 175.35 176.90 2rc3 s THR 25 N -0.69 4.65 0.33 2.17 -4.23 -1.26 -0.57 115.64 116.05 2rc3 s THR 25 Ca 0.11 0.96 0.01 0.00 -1.18 0.00 0.00 61.69 61.59 2rc3 s THR 25 Cb -0.10 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.21 2rc3 s THR 25 CO 0.00 -0.89 1.99 0.58 -0.54 0.00 0.00 174.62 175.75 2rc3 h VAL 26 N 0.33 1.16 -0.37 2.29 2.07 -0.87 -0.48 116.25 120.38 2rc3 h VAL 26 Ca -0.46 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 66.81 2rc3 h VAL 26 Cb 1.19 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2rc3 h VAL 26 CO 0.62 0.17 -0.05 0.50 0.02 0.00 0.00 177.57 178.84 2rc3 h LYS 27 N 0.95 0.05 -0.11 1.57 3.64 -1.71 -0.08 116.57 120.88 2rc3 h LYS 27 Ca 0.27 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.49 2rc3 h LYS 27 Cb -0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2rc3 h LYS 27 CO -0.07 0.03 -0.63 0.45 -2.27 0.00 0.00 179.45 176.97 2rc3 h HIS 28 N 0.05 0.53 -0.89 1.91 3.86 -1.67 -1.87 115.15 117.08 2rc3 h HIS 28 Ca 0.18 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2rc3 h HIS 28 Cb 0.27 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 2rc3 h HIS 28 CO -0.30 0.93 0.57 -0.07 0.86 0.00 0.00 177.93 179.92 2rc3 h LEU 29 N 0.30 1.05 -0.67 2.43 3.38 -0.80 -2.05 115.31 118.94 2rc3 h LEU 29 Ca -0.01 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2rc3 h LEU 29 Cb 1.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2rc3 h LEU 29 CO 0.11 0.78 -0.13 -0.07 0.09 0.00 0.00 178.44 179.22 2rc3 h LEU 30 N 1.22 0.89 -0.93 1.67 3.38 -0.88 -2.19 115.31 118.47 2rc3 h LEU 30 Ca 0.32 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2rc3 h LEU 30 Cb -0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.36 2rc3 h LEU 30 CO -0.07 1.03 0.62 1.56 0.09 0.00 0.00 178.44 181.67 2rc3 h GLN 31 N 0.80 1.21 -0.30 1.13 4.20 -0.97 0.51 115.11 121.68 2rc3 h GLN 31 Ca 0.12 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 2rc3 h GLN 31 Cb 0.66 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2rc3 h GLN 31 CO 0.05 0.80 -0.21 0.93 -0.67 0.00 0.00 178.83 179.72 2rc3 h GLU 32 N 1.24 0.56 0.06 1.46 5.08 -1.16 -3.32 114.58 118.50 2rc3 h GLU 32 Ca 0.35 -0.20 -0.35 0.00 -1.00 0.00 0.00 59.36 58.16 2rc3 h GLU 32 Cb -0.10 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2rc3 h GLU 32 CO -0.09 0.74 -2.06 1.17 -1.00 0.00 0.00 179.01 177.77 2rc3 n LYS 33 N -4.14 0.70 0.00 2.33 4.81 -0.84 -5.11 118.16 115.92 2rc3 n LYS 33 Ca 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2rc3 n LYS 33 Cb 0.39 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.77 2rc3 n LYS 33 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rc3 n GLY 34 N 1.92 2.98 1.41 3.14 0.00 0.17 -4.93 105.19 109.89 2rc3 n GLY 34 Ca -0.31 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 43.78 2rc3 n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rc3 n HIS 35 N -0.29 1.58 -1.93 1.61 8.25 -1.26 -4.76 115.22 118.42 2rc3 n HIS 35 Ca 0.00 -0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 56.06 2rc3 n HIS 35 Cb 0.00 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 30.62 2rc3 n HIS 35 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2rc3 s THR 36 N -2.90 2.43 -0.26 1.59 2.01 -1.26 -4.63 115.64 112.62 2rc3 s THR 36 Ca 0.48 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.86 2rc3 s THR 36 Cb 0.39 -3.24 0.07 0.00 0.01 0.00 0.00 72.50 69.74 2rc3 s THR 36 CO 0.11 0.06 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.40 2rc3 s VAL 37 N -0.11 1.48 -0.24 3.82 1.01 -1.26 -4.21 120.40 120.89 2rc3 s VAL 37 Ca 0.60 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2rc3 s VAL 37 Cb -0.44 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2rc3 s VAL 37 CO 0.46 -0.27 0.32 -0.69 0.00 0.00 0.00 175.10 174.92 2rc3 s VAL 38 N 1.38 5.23 0.33 2.92 1.01 -1.26 -5.05 120.40 124.97 2rc3 s VAL 38 Ca -0.01 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.51 2rc3 s VAL 38 Cb -0.19 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 2rc3 s VAL 38 CO -0.09 0.24 0.04 0.00 0.00 0.00 0.00 175.10 175.28 2rc3 s ALA 39 N 1.59 2.47 0.09 5.51 0.00 -1.26 -1.81 121.76 128.34 2rc3 s ALA 39 Ca 0.14 -2.08 -0.17 0.00 0.00 0.00 0.00 51.96 49.84 2rc3 s ALA 39 Cb -0.15 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.56 2rc3 s ALA 39 CO 0.08 -0.27 0.41 -1.50 0.00 0.00 0.00 175.76 174.49 2rc3 s ILE 40 N -3.20 0.06 0.33 0.00 1.10 -0.11 -4.85 121.20 114.53 2rc3 s ILE 40 Ca 0.36 -0.51 -0.14 0.00 -0.51 0.00 0.00 60.65 59.85 2rc3 s ILE 40 Cb 0.09 -1.07 -0.08 0.00 0.15 0.00 0.00 42.46 41.54 2rc3 s ILE 40 CO 0.16 -0.28 0.72 -0.83 -2.11 0.00 0.00 174.94 172.60 2rc3 s GLY 41 N -2.43 2.27 0.52 1.50 0.00 -1.26 -1.45 107.32 106.46 2rc3 s GLY 41 Ca -0.01 -0.03 0.24 0.00 0.00 0.00 0.00 44.72 44.92 2rc3 s GLY 41 CO -0.08 0.17 2.09 -0.56 0.00 0.00 0.00 173.10 174.72 2rc3 h PRO 42 N 2.13 0.00 -0.01 2.90 0.13 -1.92 -2.67 132.00 132.56 2rc3 h PRO 42 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2rc3 h PRO 42 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2rc3 h PRO 42 CO 0.65 0.11 -0.28 -0.25 -0.23 0.00 0.00 178.00 178.01 2rc3 n ASP 43 N -3.88 1.24 -4.75 1.44 8.00 -1.26 -1.22 116.55 116.12 2rc3 n ASP 43 Ca -0.02 -1.04 -0.30 0.00 0.71 0.00 0.00 54.79 54.14 2rc3 n ASP 43 Cb 0.21 0.18 0.12 0.00 -0.02 0.00 0.00 41.12 41.61 2rc3 n ASP 43 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2rc3 s ASP 44 N -2.46 3.87 0.43 -2.24 -1.08 -1.01 -4.74 116.67 109.44 2rc3 s ASP 44 Ca 0.24 1.46 -0.21 0.00 -0.52 0.00 0.00 52.55 53.52 2rc3 s ASP 44 Cb 0.19 -2.16 -0.10 0.00 -1.46 0.00 0.00 42.92 39.39 2rc3 s ASP 44 CO 0.52 -2.39 0.98 -0.94 0.52 0.00 0.00 175.17 173.86 2rc3 s SER 45 N -3.56 6.79 0.35 -0.34 1.04 -1.26 -0.93 113.70 115.79 2rc3 s SER 45 Ca 0.62 1.80 0.03 0.00 0.48 0.00 0.00 55.95 58.88 2rc3 s SER 45 Cb -0.17 -2.55 0.65 0.00 0.10 0.00 0.00 66.02 64.05 2rc3 s SER 45 CO 0.56 -0.47 2.00 0.58 0.98 0.00 0.00 173.24 176.90 2rc3 h VAL 46 N 1.89 1.14 -0.14 5.02 2.07 -0.88 -1.58 116.25 123.77 2rc3 h VAL 46 Ca -0.49 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 66.79 2rc3 h VAL 46 Cb 1.20 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2rc3 h VAL 46 CO 0.61 0.15 -0.19 0.15 0.02 0.00 0.00 177.57 178.31 2rc3 h PHE 47 N 0.84 -0.49 -0.65 1.57 3.57 -1.71 0.12 116.94 120.19 2rc3 h PHE 47 Ca 0.24 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2rc3 h PHE 47 Cb -0.05 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2rc3 h PHE 47 CO -0.00 -0.27 0.33 -0.91 -2.23 0.00 0.00 178.31 175.23 2rc3 h ASN 48 N -0.23 0.82 -0.10 0.41 2.35 -1.78 -0.66 115.58 116.39 2rc3 h ASN 48 Ca 0.10 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2rc3 h ASN 48 Cb 0.38 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2rc3 h ASN 48 CO -0.28 0.69 0.04 0.00 -1.65 0.00 0.00 177.43 176.22 2rc3 h ALA 49 N 1.44 0.13 -0.11 -0.83 0.00 -0.70 -1.29 119.26 117.91 2rc3 h ALA 49 Ca 0.23 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2rc3 h ALA 49 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rc3 h ALA 49 CO -0.03 -0.28 -0.47 0.52 0.00 0.00 0.00 179.25 179.00 2rc3 h MET 50 N -0.01 0.27 -0.85 0.00 2.86 -0.54 -1.21 114.93 115.44 2rc3 h MET 50 Ca 0.03 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2rc3 h MET 50 Cb 0.19 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2rc3 h MET 50 CO -0.00 0.68 0.46 1.96 1.06 0.00 0.00 176.91 181.07 2rc3 h GLN 51 N 0.22 1.20 -0.44 1.72 1.08 -1.05 -1.72 115.11 116.12 2rc3 h GLN 51 Ca 0.01 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 2rc3 h GLN 51 Cb 0.91 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2rc3 h GLN 51 CO 0.07 0.89 -0.11 -0.22 -0.95 0.00 0.00 178.83 178.51 2rc3 h LYS 52 N 1.20 0.85 -0.92 1.46 3.64 -0.71 -0.29 116.57 121.81 2rc3 h LYS 52 Ca 0.30 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2rc3 h LYS 52 Cb 0.04 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2rc3 h LYS 52 CO -0.05 0.96 0.54 0.52 -2.27 0.00 0.00 179.45 179.16 2rc3 h MET 53 N 0.68 1.25 -0.48 1.90 2.86 -1.12 -2.18 114.93 117.85 2rc3 h MET 53 Ca 0.11 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2rc3 h MET 53 Cb 0.65 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2rc3 h MET 53 CO 0.04 0.89 -0.03 0.00 1.06 0.00 0.00 176.91 178.87 2rc3 h ALA 54 N 1.30 0.65 -0.91 6.32 0.00 -1.07 -0.32 119.26 125.23 2rc3 h ALA 54 Ca 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2rc3 h ALA 54 Cb -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2rc3 h ALA 54 CO -0.06 0.48 0.51 0.00 0.00 0.00 0.00 179.25 180.18 2rc3 h ALA 55 N 0.91 1.16 -0.02 0.00 0.00 -0.77 -2.67 119.26 117.88 2rc3 h ALA 55 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rc3 h ALA 55 Cb 0.55 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2rc3 h ALA 55 CO 0.03 0.66 -0.10 -0.25 0.00 0.00 0.00 179.25 179.59 2rc3 n ASP 56 N -4.34 2.13 -3.82 0.00 8.00 -0.84 -4.97 116.55 112.70 2rc3 n ASP 56 Ca 0.10 -1.63 -0.37 0.00 0.71 0.00 0.00 54.79 53.60 2rc3 n ASP 56 Cb 0.09 0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2rc3 n ASP 56 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2rc3 n ASN 57 N 0.52 -4.77 -4.41 -2.24 5.15 -0.29 -5.02 115.26 104.21 2rc3 n ASN 57 Ca 0.15 -1.11 -0.20 0.00 -0.60 0.00 0.00 54.58 52.81 2rc3 n ASN 57 Cb 0.47 -2.80 -0.10 0.00 -0.53 0.00 0.00 39.78 36.81 2rc3 n ASN 57 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2rc3 s ILE 58 N -3.50 1.09 -0.10 -1.44 -4.36 -0.30 -5.04 121.20 107.54 2rc3 s ILE 58 Ca 0.47 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2rc3 s ILE 58 Cb -0.20 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.84 2rc3 s ILE 58 CO 0.90 -0.06 0.84 0.61 0.24 0.00 0.00 174.94 177.47 2rc3 n GLY 59 N -0.61 1.35 3.20 6.27 0.00 -1.26 -4.58 105.19 109.56 2rc3 n GLY 59 Ca -0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2rc3 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rc3 s ALA 60 N -0.66 -0.41 -0.03 4.61 0.00 -1.26 -1.48 121.76 122.53 2rc3 s ALA 60 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2rc3 s ALA 60 Cb 0.01 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.49 2rc3 s ALA 60 CO 0.01 -0.41 -0.08 -0.51 0.00 0.00 0.00 175.76 174.77 2rc3 s LEU 61 N -2.28 1.65 0.11 0.00 1.43 0.45 -4.95 118.68 115.09 2rc3 s LEU 61 Ca -0.02 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2rc3 s LEU 61 Cb 0.00 -0.52 -0.07 0.00 0.03 0.00 0.00 46.19 45.64 2rc3 s LEU 61 CO -0.06 0.03 1.21 -0.76 0.23 0.00 0.00 176.35 177.00 2rc3 s LEU 62 N 0.43 4.40 -0.36 1.79 2.01 -0.75 -1.05 118.68 125.15 2rc3 s LEU 62 Ca -0.06 2.10 -0.13 0.00 0.01 0.00 0.00 54.13 56.05 2rc3 s LEU 62 Cb -0.11 -3.59 -0.00 0.00 0.01 0.00 0.00 46.19 42.50 2rc3 s LEU 62 CO 0.01 -0.44 0.25 -0.69 1.01 0.00 0.00 176.35 176.48 2rc3 s VAL 63 N 0.69 5.20 -0.06 -1.59 1.01 -0.02 -0.93 120.40 124.69 2rc3 s VAL 63 Ca 0.57 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2rc3 s VAL 63 Cb -0.31 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2rc3 s VAL 63 CO 0.32 -0.09 -0.21 -0.04 0.00 0.00 0.00 175.10 175.07 2rc3 s MET 64 N 1.70 2.65 -0.03 2.72 -1.94 -0.53 -0.76 119.30 123.10 2rc3 s MET 64 Ca 0.06 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2rc3 s MET 64 Cb -0.18 -2.27 0.03 0.00 2.01 0.00 0.00 34.83 34.42 2rc3 s MET 64 CO 0.10 0.42 0.04 0.21 -0.01 0.00 0.00 175.02 175.78 2rc3 s LYS 65 N -0.23 0.00 -1.50 2.03 2.20 -0.01 -4.25 119.74 117.99 2rc3 s LYS 65 Ca -0.01 0.27 -0.08 0.00 -0.36 0.00 0.00 55.97 55.79 2rc3 s LYS 65 Cb -0.13 -0.44 0.06 0.00 -1.51 0.00 0.00 37.83 35.82 2rc3 s LYS 65 CO 0.03 -0.25 0.69 -0.25 -0.36 0.00 0.00 175.35 175.21 2rc3 n ASP 66 N 4.79 -2.28 -0.27 1.43 10.43 -1.26 -0.02 116.55 129.37 2rc3 n ASP 66 Ca -0.14 -0.93 -0.04 0.00 2.57 0.00 0.00 54.79 56.25 2rc3 n ASP 66 Cb 0.50 -3.31 -0.02 0.00 1.84 0.00 0.00 41.12 40.13 2rc3 n ASP 66 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2rc3 n GLU 67 N -4.45 -1.45 -4.15 -1.24 -0.58 -1.26 -4.99 120.64 102.52 2rc3 n GLU 67 Ca -0.12 0.54 -0.34 0.00 -0.42 0.00 0.00 57.16 56.81 2rc3 n GLU 67 Cb 0.60 -4.70 -0.11 0.00 -0.57 0.00 0.00 31.44 26.66 2rc3 n GLU 67 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2rc3 s LYS 68 N -1.95 3.83 -0.49 3.49 3.01 0.98 -5.01 119.74 123.60 2rc3 s LYS 68 Ca 0.00 -0.42 -0.28 0.00 -1.01 0.00 0.00 55.97 54.26 2rc3 s LYS 68 Cb 0.00 -3.10 -0.01 0.00 -1.01 0.00 0.00 37.83 33.71 2rc3 s LYS 68 CO 0.00 0.23 1.66 -1.17 0.51 0.00 0.00 175.35 176.58 2rc3 s LEU 69 N 0.45 3.42 -0.01 3.17 2.96 -1.26 -0.83 118.68 126.58 2rc3 s LEU 69 Ca 0.00 0.65 0.21 0.00 -0.22 0.00 0.00 54.13 54.78 2rc3 s LEU 69 Cb -0.13 -3.08 -0.26 0.00 0.50 0.00 0.00 46.19 43.21 2rc3 s LEU 69 CO 0.01 -1.88 0.78 1.33 -1.32 0.00 0.00 176.35 175.28 2rc3 n VAL 70 N 7.15 0.00 -0.50 1.68 0.24 0.06 -5.00 118.33 121.96 2rc3 n VAL 70 Ca 0.18 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2rc3 n VAL 70 Cb 0.49 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 2rc3 n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rc3 n GLY 71 N 1.43 -1.18 2.97 7.63 0.00 -1.14 -4.61 105.19 110.29 2rc3 n GLY 71 Ca 0.02 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 2rc3 n GLY 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2rc3 s ILE 72 N -2.16 0.60 -0.21 -0.61 2.07 0.01 -0.84 121.20 120.06 2rc3 s ILE 72 Ca 0.00 -0.27 -0.05 0.00 -1.41 0.00 0.00 60.65 58.92 2rc3 s ILE 72 Cb 0.00 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 42.02 2rc3 s ILE 72 CO 0.00 0.20 0.01 -0.22 -1.91 0.00 0.00 174.94 173.02 2rc3 s LEU 73 N 0.21 3.29 0.36 8.50 2.96 -0.22 -0.83 118.68 132.96 2rc3 s LEU 73 Ca -0.03 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 2rc3 s LEU 73 Cb -0.07 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 2rc3 s LEU 73 CO 0.00 0.05 -0.04 0.42 -1.32 0.00 0.00 176.35 175.47 2rc3 s THR 74 N 1.08 1.98 0.41 3.68 -4.23 -1.26 -0.41 115.64 116.88 2rc3 s THR 74 Ca 0.03 -2.10 0.08 0.00 -1.18 0.00 0.00 61.69 58.52 2rc3 s THR 74 Cb -0.14 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.19 2rc3 s THR 74 CO 0.02 -0.11 2.05 -0.33 -0.54 0.00 0.00 174.62 175.70 2rc3 h GLU 75 N 1.96 0.53 -0.34 3.99 5.08 -1.65 -1.79 114.58 122.36 2rc3 h GLU 75 Ca -0.42 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 2rc3 h GLU 75 Cb 1.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2rc3 h GLU 75 CO 0.74 0.35 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.78 2rc3 h ARG 76 N 0.55 0.76 -0.36 2.33 2.43 -1.95 0.14 114.38 118.27 2rc3 h ARG 76 Ca 0.17 -0.36 0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2rc3 h ARG 76 Cb 0.02 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 2rc3 h ARG 76 CO -0.04 0.98 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.85 2rc3 h ASP 77 N 0.53 -0.39 -0.20 -3.80 3.32 -1.74 -0.25 116.42 113.89 2rc3 h ASP 77 Ca 0.07 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2rc3 h ASP 77 Cb 0.79 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2rc3 h ASP 77 CO 0.06 -0.14 0.11 0.15 -1.72 0.00 0.00 179.24 177.70 2rc3 h PHE 78 N -0.03 0.27 0.00 4.55 3.57 -1.11 -0.88 116.94 123.31 2rc3 h PHE 78 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2rc3 h PHE 78 Cb 0.29 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2rc3 h PHE 78 CO -0.34 0.24 0.00 0.77 -2.23 0.00 0.00 178.31 176.75 2rc3 h SER 79 N 0.22 0.00 0.00 0.41 0.02 -0.36 -2.14 113.55 111.70 2rc3 h SER 79 Ca 0.07 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.66 2rc3 h SER 79 Cb 0.06 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 2rc3 h SER 79 CO -0.01 0.00 -2.36 0.54 -1.14 0.00 0.00 176.83 173.86 2rc3 n ARG 80 N -2.77 0.77 -0.04 3.45 5.12 -0.14 -4.82 116.66 118.23 2rc3 n ARG 80 Ca 0.01 -0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.88 2rc3 n ARG 80 Cb 0.29 -1.51 -0.05 0.00 -1.16 0.00 0.00 32.46 30.03 2rc3 n ARG 80 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2rc3 n LYS 81 N -2.74 1.84 -0.11 5.56 5.02 -0.35 -4.77 118.16 122.61 2rc3 n LYS 81 Ca -0.32 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 55.88 2rc3 n LYS 81 Cb 1.14 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 2rc3 n LYS 81 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2rc3 h SER 82 N 0.00 0.57 0.98 4.39 4.64 -1.52 -2.86 113.55 119.76 2rc3 h SER 82 Ca -0.21 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2rc3 h SER 82 Cb 1.41 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2rc3 h SER 82 CO -0.01 0.75 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 2rc3 n TYR 83 N -4.53 0.68 1.18 4.77 4.11 -1.26 -2.46 117.16 119.65 2rc3 n TYR 83 Ca -0.02 0.23 0.13 0.00 -0.00 0.00 0.00 57.90 58.25 2rc3 n TYR 83 Cb 0.27 -0.88 0.49 0.00 -0.00 0.00 0.00 39.34 39.22 2rc3 n TYR 83 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2rc3 n LEU 84 N -2.09 0.40 -4.76 -3.48 4.77 -1.08 -4.79 117.00 105.98 2rc3 n LEU 84 Ca 0.04 0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.74 2rc3 n LEU 84 Cb 0.30 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2rc3 n LEU 84 CO 0.23 0.08 0.22 -0.76 -1.33 0.00 0.00 177.39 175.84 2rc3 s LEU 85 N -2.76 4.37 -0.78 2.23 1.43 -1.03 -4.98 118.68 117.17 2rc3 s LEU 85 Ca 0.20 1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2rc3 s LEU 85 Cb 0.19 -2.79 -0.12 0.00 0.03 0.00 0.00 46.19 43.50 2rc3 s LEU 85 CO 0.56 0.09 3.15 -0.67 0.23 0.00 0.00 176.35 179.70 2rc3 n ASP 86 N 2.98 6.96 -3.61 2.29 2.03 -1.26 -4.76 116.55 121.17 2rc3 n ASP 86 Ca -0.08 -2.68 -0.15 0.00 0.52 0.00 0.00 54.79 52.40 2rc3 n ASP 86 Cb 0.51 -1.44 -0.07 0.00 -0.72 0.00 0.00 41.12 39.41 2rc3 n ASP 86 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2rc3 s LYS 87 N 0.81 0.87 0.72 -0.67 2.20 -1.26 -5.18 119.74 117.23 2rc3 s LYS 87 Ca 0.66 0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 56.91 2rc3 s LYS 87 Cb 0.26 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 37.02 2rc3 s LYS 87 CO -0.06 -0.16 1.09 -1.25 -0.36 0.00 0.00 175.35 174.61 2rc3 s PRO 88 N -0.06 2.74 0.42 4.03 0.04 -1.26 -4.90 135.00 136.00 2rc3 s PRO 88 Ca -0.03 0.56 0.08 0.00 0.04 0.00 0.00 61.00 61.65 2rc3 s PRO 88 Cb -0.04 -2.00 0.88 0.00 0.04 0.00 0.00 34.50 33.39 2rc3 s PRO 88 CO 0.03 -1.14 2.04 -0.39 0.04 0.00 0.00 177.00 177.58 2rc3 h VAL 89 N -0.73 1.11 0.00 -0.36 -1.51 -1.94 0.49 116.25 113.30 2rc3 h VAL 89 Ca -0.45 -0.29 -0.00 0.00 -1.23 0.00 0.00 66.70 64.72 2rc3 h VAL 89 Cb 1.25 0.69 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2rc3 h VAL 89 CO 0.62 0.12 -0.02 0.11 -1.23 0.00 0.00 177.57 177.17 2rc3 h LYS 90 N 0.44 0.00 -0.49 5.19 1.57 -1.94 -2.51 116.57 118.82 2rc3 h LYS 90 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2rc3 h LYS 90 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2rc3 h LYS 90 CO -0.02 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 2rc3 n ASP 91 N -3.14 3.39 -4.55 0.86 8.00 0.12 -4.84 116.55 116.39 2rc3 n ASP 91 Ca 0.00 -1.97 -0.34 0.00 0.71 0.00 0.00 54.79 53.20 2rc3 n ASP 91 Cb 0.29 -0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 40.95 2rc3 n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2rc3 s THR 92 N -1.08 3.75 0.20 -3.53 2.01 -0.98 -4.86 115.64 111.15 2rc3 s THR 92 Ca 0.36 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 2rc3 s THR 92 Cb 0.19 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 2rc3 s THR 92 CO 0.26 0.56 0.48 -1.10 -0.69 0.00 0.00 174.62 174.13 2rc3 s GLN 93 N -0.38 3.70 0.25 4.92 -0.21 -1.26 -0.72 119.66 125.97 2rc3 s GLN 93 Ca 0.06 0.09 -0.03 0.00 0.02 0.00 0.00 55.36 55.49 2rc3 s GLN 93 Cb -0.12 -2.73 0.45 0.00 1.00 0.00 0.00 33.01 31.61 2rc3 s GLN 93 CO 0.02 0.37 1.79 0.28 -2.12 0.00 0.00 175.29 175.63 2rc3 h VAL 94 N 1.93 0.83 -0.07 1.09 2.07 -0.85 -1.37 116.25 119.89 2rc3 h VAL 94 Ca -0.47 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 66.83 2rc3 h VAL 94 Cb 1.17 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2rc3 h VAL 94 CO 0.70 0.13 0.10 0.07 0.02 0.00 0.00 177.57 178.60 2rc3 h LYS 95 N 0.71 0.00 0.00 1.57 2.10 -1.45 -1.01 116.57 118.50 2rc3 h LYS 95 Ca 0.42 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.99 2rc3 h LYS 95 Cb 0.48 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 2rc3 h LYS 95 CO -0.30 0.00 -0.38 0.93 -2.00 0.00 0.00 179.45 177.70 2rc3 h GLU 96 N 0.00 0.00 0.00 0.07 5.08 -1.53 -3.33 114.58 114.86 2rc3 h GLU 96 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2rc3 h GLU 96 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2rc3 h GLU 96 CO -0.00 0.38 0.00 0.44 -1.00 0.00 0.00 179.01 178.83 2rc3 n ILE 97 N -3.82 0.00 -1.68 3.13 -5.35 -0.75 -5.07 119.36 105.82 2rc3 n ILE 97 Ca -0.01 -0.36 -0.34 0.00 -0.27 0.00 0.00 62.75 61.77 2rc3 n ILE 97 Cb 0.45 1.15 0.06 0.00 -1.74 0.00 0.00 39.64 39.56 2rc3 n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rc3 s MET 98 N -0.33 2.59 -0.13 6.28 0.23 -0.46 -4.77 119.30 122.70 2rc3 s MET 98 Ca 0.00 1.56 -0.29 0.00 -1.03 0.00 0.00 55.69 55.93 2rc3 s MET 98 Cb 0.00 -1.91 -0.01 0.00 -1.53 0.00 0.00 34.83 31.38 2rc3 s MET 98 CO 0.00 -1.45 1.16 0.99 -2.03 0.00 0.00 175.02 173.69 2rc3 s THR 99 N -2.13 4.43 -0.01 3.16 2.01 -0.01 -4.92 115.64 118.16 2rc3 s THR 99 Ca 0.71 1.73 0.08 0.00 0.31 0.00 0.00 61.69 64.51 2rc3 s THR 99 Cb -0.24 -4.11 -0.24 0.00 0.01 0.00 0.00 72.50 67.92 2rc3 s THR 99 CO 0.41 -0.08 0.77 0.03 -0.69 0.00 0.00 174.62 175.07 2rc3 h ARG 100 N 7.65 0.05 -4.87 4.92 3.08 -1.85 0.07 114.38 123.44 2rc3 h ARG 100 Ca -0.28 -0.09 -0.69 0.00 0.07 0.00 0.00 59.98 58.99 2rc3 h ARG 100 Cb 1.12 0.03 -0.19 0.00 0.08 0.00 0.00 29.97 31.02 2rc3 h ARG 100 CO 0.93 0.72 0.11 -1.14 -1.07 0.00 0.00 179.97 179.51 2rc3 s GLN 101 N -2.62 3.09 -0.35 0.04 2.00 -1.26 -4.56 119.66 116.00 2rc3 s GLN 101 Ca -0.06 -1.08 -0.12 0.00 -2.00 0.00 0.00 55.36 52.10 2rc3 s GLN 101 Cb 0.08 -4.18 -0.00 0.00 0.80 0.00 0.00 33.01 29.70 2rc3 s GLN 101 CO 0.82 -1.40 0.23 0.08 -0.50 0.00 0.00 175.29 174.52 2rc3 s VAL 102 N 2.74 5.07 0.14 1.34 1.01 -1.26 -5.01 120.40 124.43 2rc3 s VAL 102 Ca 0.14 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2rc3 s VAL 102 Cb -0.21 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 2rc3 s VAL 102 CO 0.09 -0.07 1.17 0.00 0.00 0.00 0.00 175.10 176.30 2rc3 s ALA 103 N 1.68 3.40 0.25 5.51 0.00 -1.26 -5.05 121.76 126.29 2rc3 s ALA 103 Ca 0.05 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.90 2rc3 s ALA 103 Cb -0.18 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2rc3 s ALA 103 CO 0.09 -0.35 0.22 1.52 0.00 0.00 0.00 175.76 177.24 2rc3 s TYR 104 N 0.27 1.29 0.24 0.00 -0.85 -1.26 -4.13 117.35 112.91 2rc3 s TYR 104 Ca 0.54 -1.42 0.08 0.00 -0.52 0.00 0.00 57.07 55.75 2rc3 s TYR 104 Cb -0.31 -0.53 -0.05 0.00 0.38 0.00 0.00 41.96 41.45 2rc3 s TYR 104 CO 0.34 -0.77 -0.11 0.14 -1.52 0.00 0.00 175.55 173.63 2rc3 s VAL 105 N -3.86 1.77 0.52 -3.49 -7.23 -0.58 -4.98 120.40 102.55 2rc3 s VAL 105 Ca 0.38 -2.20 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2rc3 s VAL 105 Cb 0.05 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2rc3 s VAL 105 CO 0.17 -0.46 0.27 1.51 -0.31 0.00 0.00 175.10 176.28 2rc3 s ASP 106 N -3.39 4.48 0.47 4.85 1.47 -1.26 -1.41 116.67 121.88 2rc3 s ASP 106 Ca 0.26 -1.34 0.18 0.00 1.18 0.00 0.00 52.55 52.84 2rc3 s ASP 106 Cb 0.01 0.35 1.15 0.00 -0.34 0.00 0.00 42.92 44.08 2rc3 s ASP 106 CO 0.10 -0.97 2.02 -0.07 0.68 0.00 0.00 175.17 176.92 2rc3 h LEU 107 N 0.99 0.00 -0.56 2.11 3.38 -1.94 -1.57 115.31 117.71 2rc3 h LEU 107 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2rc3 h LEU 107 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2rc3 h LEU 107 CO 0.63 0.16 -0.17 0.59 0.09 0.00 0.00 178.44 179.74 2rc3 n ASN 108 N -4.11 1.05 -4.68 -0.43 5.03 -1.26 -2.20 115.26 108.67 2rc3 n ASN 108 Ca -0.02 -0.99 -0.29 0.00 0.87 0.00 0.00 54.58 54.14 2rc3 n ASN 108 Cb 0.24 0.07 0.16 0.00 -1.02 0.00 0.00 39.78 39.24 2rc3 n ASN 108 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2rc3 s ASN 109 N -2.37 2.94 0.43 6.41 -0.87 -0.59 -4.82 114.94 116.05 2rc3 s ASN 109 Ca 0.28 1.49 0.06 0.00 -1.57 0.00 0.00 52.86 53.13 2rc3 s ASN 109 Cb 0.20 -2.16 -0.07 0.00 -0.02 0.00 0.00 41.25 39.20 2rc3 s ASN 109 CO 0.47 -2.98 0.03 0.42 -2.57 0.00 0.00 177.10 172.47 2rc3 s THR 110 N -2.85 1.91 0.28 1.60 -4.23 -1.26 -0.76 115.64 110.32 2rc3 s THR 110 Ca 0.65 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 2rc3 s THR 110 Cb -0.19 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.04 2rc3 s THR 110 CO 0.58 0.00 1.79 -0.55 -0.54 0.00 0.00 174.62 175.90 2rc3 h ASN 111 N 1.68 0.72 -0.49 3.99 -1.07 -1.13 -0.58 115.58 118.69 2rc3 h ASN 111 Ca -0.44 0.08 0.02 0.00 0.07 0.00 0.00 56.30 56.03 2rc3 h ASN 111 Cb 1.25 -0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 37.42 2rc3 h ASN 111 CO 0.79 0.32 0.29 -0.08 0.07 0.00 0.00 177.43 178.82 2rc3 h GLU 112 N 0.77 0.57 -0.14 4.14 4.81 -1.96 -0.30 114.58 122.47 2rc3 h GLU 112 Ca 0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2rc3 h GLU 112 Cb 0.67 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2rc3 h GLU 112 CO -0.34 0.38 0.09 -0.44 -0.73 0.00 0.00 179.01 177.97 2rc3 h ASP 113 N 0.59 0.16 -0.41 1.04 3.32 -1.75 -1.78 116.42 117.59 2rc3 h ASP 113 Ca 0.20 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.27 2rc3 h ASP 113 Cb 0.02 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2rc3 h ASP 113 CO -0.09 0.13 0.19 0.00 -1.72 0.00 0.00 179.24 177.74 2rc3 h MET 115 N 0.38 0.63 -0.27 0.00 2.86 -0.93 -0.55 114.93 117.05 2rc3 h MET 115 Ca 0.18 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2rc3 h MET 115 Cb 0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2rc3 h MET 115 CO -0.15 0.68 -0.07 0.00 1.06 0.00 0.00 176.91 178.43 2rc3 h ALA 116 N 1.37 0.38 -0.13 6.32 0.00 -0.99 -1.10 119.26 125.11 2rc3 h ALA 116 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2rc3 h ALA 116 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2rc3 h ALA 116 CO 0.02 0.19 0.03 -0.07 0.00 0.00 0.00 179.25 179.43 2rc3 h LEU 117 N 0.28 0.19 -0.30 0.00 3.38 -0.82 0.13 115.31 118.17 2rc3 h LEU 117 Ca 0.07 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2rc3 h LEU 117 Cb 0.55 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2rc3 h LEU 117 CO 0.03 0.36 0.07 0.40 0.09 0.00 0.00 178.44 179.39 2rc3 h ILE 118 N 0.01 0.86 -0.00 1.22 2.04 -1.12 -0.37 117.51 120.15 2rc3 h ILE 118 Ca 0.04 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2rc3 h ILE 118 Cb 0.25 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2rc3 h ILE 118 CO -0.00 0.03 -0.01 0.74 0.00 0.00 0.00 178.15 178.92 2rc3 h THR 119 N 0.18 1.50 0.13 -0.27 2.02 -1.05 -1.08 112.91 114.35 2rc3 h THR 119 Ca 0.14 -1.49 -0.28 0.00 0.77 0.00 0.00 66.41 65.55 2rc3 h THR 119 Cb 0.14 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2rc3 h THR 119 CO -0.18 0.39 -1.33 -0.33 0.37 0.00 0.00 175.52 174.44 2rc3 h GLU 120 N -0.62 0.27 0.00 6.66 4.39 -0.77 -3.20 114.58 121.31 2rc3 h GLU 120 Ca -0.00 -0.46 -0.06 0.00 0.34 0.00 0.00 59.36 59.18 2rc3 h GLU 120 Cb 0.64 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2rc3 h GLU 120 CO 0.00 1.19 -0.29 0.52 -1.16 0.00 0.00 179.01 179.28 2rc3 h MET 121 N 0.07 0.00 -4.48 2.33 2.86 -1.20 -3.48 114.93 111.03 2rc3 h MET 121 Ca -0.17 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.27 2rc3 h MET 121 Cb 1.99 0.00 0.12 0.00 0.06 0.00 0.00 31.60 33.77 2rc3 h MET 121 CO 0.19 0.29 -0.53 0.54 1.06 0.00 0.00 176.91 178.46 2rc3 n ARG 122 N -3.28 -3.60 -4.70 1.72 1.74 -0.47 -5.05 116.66 103.02 2rc3 n ARG 122 Ca 0.01 0.57 -0.25 0.00 -0.77 0.00 0.00 57.85 57.42 2rc3 n ARG 122 Cb 0.55 -4.64 -0.15 0.00 -1.02 0.00 0.00 32.46 27.20 2rc3 n ARG 122 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2rc3 s VAL 123 N -3.24 1.49 -0.64 1.55 -7.23 -0.85 -5.04 120.40 106.43 2rc3 s VAL 123 Ca 0.08 -0.99 0.23 0.00 -1.81 0.00 0.00 61.98 59.50 2rc3 s VAL 123 Cb -0.01 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2rc3 s VAL 123 CO 0.49 0.26 1.16 0.54 -0.31 0.00 0.00 175.10 177.24 2rc3 n ARG 124 N 2.19 0.28 -4.59 4.82 1.74 -1.26 -4.34 116.66 115.50 2rc3 n ARG 124 Ca -0.16 0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.73 2rc3 n ARG 124 Cb 0.54 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 2rc3 n ARG 124 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2rc3 s HIS 125 N -3.18 1.34 -0.28 -1.55 3.76 -1.26 -0.83 115.29 113.29 2rc3 s HIS 125 Ca 0.05 -0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 2rc3 s HIS 125 Cb 0.14 -0.83 0.09 0.00 1.11 0.00 0.00 32.58 33.08 2rc3 s HIS 125 CO 0.77 0.00 0.06 -0.51 -0.85 0.00 0.00 174.74 174.21 2rc3 s LEU 126 N -0.63 2.14 0.64 0.89 1.43 0.12 -4.95 118.68 118.31 2rc3 s LEU 126 Ca 0.05 -1.42 -0.18 0.00 -1.03 0.00 0.00 54.13 51.56 2rc3 s LEU 126 Cb -0.07 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2rc3 s LEU 126 CO 0.00 -0.37 1.03 -2.65 0.23 0.00 0.00 176.35 174.59 2rc3 n PRO 127 N 4.85 0.84 -4.01 1.29 -0.02 -1.26 -1.33 135.00 135.36 2rc3 n PRO 127 Ca -0.05 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 2rc3 n PRO 127 Cb 0.43 -2.25 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 2rc3 n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rc3 s VAL 128 N -1.55 3.55 -0.13 -1.45 1.01 0.05 -1.53 120.40 120.35 2rc3 s VAL 128 Ca 0.77 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2rc3 s VAL 128 Cb -0.39 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2rc3 s VAL 128 CO 0.46 0.43 -0.08 -0.76 0.00 0.00 0.00 175.10 175.14 2rc3 s LEU 129 N 1.28 3.01 -0.28 3.92 1.02 -0.50 -0.94 118.68 126.19 2rc3 s LEU 129 Ca 0.03 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.02 2rc3 s LEU 129 Cb -0.14 -1.70 0.07 0.00 0.02 0.00 0.00 46.19 44.44 2rc3 s LEU 129 CO -0.01 0.19 -0.07 -0.62 0.02 0.00 0.00 176.35 175.87 2rc3 s ASP 130 N 0.19 4.48 -1.52 2.29 2.15 0.83 -4.32 116.67 120.77 2rc3 s ASP 130 Ca -0.05 -1.56 -0.08 0.00 0.43 0.00 0.00 52.55 51.30 2rc3 s ASP 130 Cb -0.14 -1.54 0.06 0.00 -0.30 0.00 0.00 42.92 41.00 2rc3 s ASP 130 CO 0.04 -0.24 0.59 -0.67 -0.17 0.00 0.00 175.17 174.72 2rc3 n ASP 131 N 4.41 -1.73 0.00 -0.34 2.03 -1.26 -1.14 116.55 118.53 2rc3 n ASP 131 Ca -0.10 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.22 2rc3 n ASP 131 Cb 0.42 -3.01 0.00 0.00 -0.72 0.00 0.00 41.12 37.82 2rc3 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rc3 n GLY 132 N -1.76 0.37 3.46 0.27 0.00 -1.26 -5.06 105.19 101.21 2rc3 n GLY 132 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2rc3 n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rc3 s LYS 133 N -0.90 2.88 -0.27 1.61 2.20 -0.29 -4.99 119.74 119.99 2rc3 s LYS 133 Ca 0.00 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 2rc3 s LYS 133 Cb 0.00 -2.51 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 2rc3 s LYS 133 CO 0.00 0.48 1.12 0.08 -0.36 0.00 0.00 175.35 176.66 2rc3 s VAL 134 N -0.33 4.49 -0.80 4.02 1.01 -1.26 -0.12 120.40 127.41 2rc3 s VAL 134 Ca 0.03 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.84 2rc3 s VAL 134 Cb -0.13 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.99 2rc3 s VAL 134 CO 0.02 -0.33 0.63 2.30 0.00 0.00 0.00 175.10 177.72 2rc3 n ILE 135 N 5.66 0.00 -0.46 2.22 -5.35 -0.12 -4.97 119.36 116.35 2rc3 n ILE 135 Ca 0.13 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2rc3 n ILE 135 Cb 0.46 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 2rc3 n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rc3 n GLY 136 N 0.60 -1.57 3.10 3.28 0.00 -1.21 -4.74 105.19 104.65 2rc3 n GLY 136 Ca 0.04 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2rc3 n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rc3 s LEU 137 N 0.00 1.01 -0.05 0.99 0.20 -1.26 -0.77 118.68 118.81 2rc3 s LEU 137 Ca 0.00 0.46 0.05 0.00 0.69 0.00 0.00 54.13 55.33 2rc3 s LEU 137 Cb 0.00 0.76 -0.02 0.00 -0.43 0.00 0.00 46.19 46.50 2rc3 s LEU 137 CO 0.00 -0.09 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.02 2rc3 s LEU 138 N 0.32 2.46 0.39 -0.68 1.43 -0.44 -4.95 118.68 117.20 2rc3 s LEU 138 Ca -0.02 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2rc3 s LEU 138 Cb -0.03 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 2rc3 s LEU 138 CO -0.01 0.32 0.02 -0.94 0.23 0.00 0.00 176.35 175.97 2rc3 s SER 139 N -0.57 3.48 0.28 2.29 1.04 -1.26 0.12 113.70 119.08 2rc3 s SER 139 Ca 0.08 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.13 2rc3 s SER 139 Cb -0.11 -0.28 0.51 0.00 0.10 0.00 0.00 66.02 66.24 2rc3 s SER 139 CO 0.01 -0.51 1.85 -0.29 0.98 0.00 0.00 173.24 175.28 2rc3 h ILE 140 N 1.85 0.97 -0.46 -1.02 2.10 -1.32 -1.10 117.51 118.52 2rc3 h ILE 140 Ca -0.43 -0.36 -0.02 0.00 1.08 0.00 0.00 64.86 65.13 2rc3 h ILE 140 Cb 1.24 -0.18 -0.02 0.00 -1.09 0.00 0.00 36.82 36.78 2rc3 h ILE 140 CO 0.78 0.19 0.21 1.23 -1.08 0.00 0.00 178.15 179.48 2rc3 h GLY 141 N 1.05 0.69 1.01 8.18 0.00 -1.96 -1.58 103.07 110.46 2rc3 h GLY 141 Ca 0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 2rc3 h GLY 141 CO -0.24 0.30 0.21 -0.55 0.00 0.00 0.00 176.54 176.26 2rc3 h ASP 142 N 0.65 0.90 -0.46 0.19 3.32 -1.61 -0.19 116.42 119.22 2rc3 h ASP 142 Ca 0.16 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 2rc3 h ASP 142 Cb 0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2rc3 h ASP 142 CO -0.02 0.85 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.06 2rc3 h LEU 143 N 0.89 0.99 -0.27 1.55 -0.00 -1.09 -0.85 115.31 116.54 2rc3 h LEU 143 Ca 0.20 -0.40 -0.01 0.00 -0.00 0.00 0.00 57.88 57.67 2rc3 h LEU 143 Cb 0.27 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2rc3 h LEU 143 CO -0.01 1.18 0.13 0.58 -0.00 0.00 0.00 178.44 180.31 2rc3 h VAL 144 N 0.81 1.15 -0.25 1.22 2.07 -1.16 -1.94 116.25 118.15 2rc3 h VAL 144 Ca 0.10 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2rc3 h VAL 144 Cb 0.80 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2rc3 h VAL 144 CO 0.07 0.15 0.15 0.50 0.02 0.00 0.00 177.57 178.46 2rc3 h LYS 145 N 0.30 0.33 -0.77 1.57 3.64 -0.86 -2.03 116.57 118.75 2rc3 h LYS 145 Ca 0.09 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2rc3 h LYS 145 Cb 0.13 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 2rc3 h LYS 145 CO -0.01 0.25 0.49 0.22 -2.27 0.00 0.00 179.45 178.13 2rc3 h ASP 146 N 0.31 0.82 -0.87 4.20 3.58 -1.13 -1.72 116.42 121.62 2rc3 h ASP 146 Ca 0.09 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2rc3 h ASP 146 Cb 0.00 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.83 2rc3 h ASP 146 CO -0.02 0.57 0.46 0.00 -2.88 0.00 0.00 179.24 177.37 2rc3 h ALA 147 N 1.32 1.11 -0.01 -0.78 0.00 -0.99 -2.98 119.26 116.92 2rc3 h ALA 147 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2rc3 h ALA 147 Cb -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2rc3 h ALA 147 CO -0.10 0.64 -0.13 0.44 0.00 0.00 0.00 179.25 180.09 2rc3 n ILE 148 N -4.34 0.00 1.49 0.00 -5.35 -0.80 -5.11 119.36 105.25 2rc3 n ILE 148 Ca 0.09 -0.20 0.14 0.00 -0.27 0.00 0.00 62.75 62.51 2rc3 n ILE 148 Cb 0.11 0.49 0.51 0.00 -1.74 0.00 0.00 39.64 39.01 2rc3 n ILE 148 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59