#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4b h MET 19 N 0.00 0.09 -0.62 3.69 2.86 -1.99 0.10 114.93 119.06 2j4b h MET 19 Ca 0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2j4b h MET 19 Cb 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 2j4b h MET 19 CO 0.00 0.06 0.41 1.49 1.06 0.00 0.00 176.91 179.93 2j4b h GLU 20 N 0.09 0.82 -0.66 1.72 4.81 -1.99 -0.06 114.58 119.31 2j4b h GLU 20 Ca 0.24 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2j4b h GLU 20 Cb 0.35 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2j4b h GLU 20 CO -0.41 0.54 0.39 1.15 -0.73 0.00 0.00 179.01 179.95 2j4b h THR 21 N 0.84 1.20 -0.45 0.32 2.02 -1.81 -0.84 112.91 114.19 2j4b h THR 21 Ca 0.23 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 2j4b h THR 21 Cb -0.09 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2j4b h THR 21 CO -0.05 0.21 -0.21 0.28 0.37 0.00 0.00 175.52 176.11 2j4b h SER 22 N 0.90 0.92 -0.25 4.18 0.02 -0.55 -1.01 113.55 117.76 2j4b h SER 22 Ca 0.24 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2j4b h SER 22 Cb -0.01 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 2j4b h SER 22 CO -0.04 1.10 -0.01 0.22 -1.14 0.00 0.00 176.83 176.96 2j4b h TYR 23 N 0.78 -0.04 -0.73 3.45 3.20 -0.56 -0.67 116.97 122.41 2j4b h TYR 23 Ca 0.11 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2j4b h TYR 23 Cb 0.76 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 2j4b h TYR 23 CO 0.05 -0.05 0.24 0.28 -1.64 0.00 0.00 178.16 177.03 2j4b h VAL 24 N 0.06 1.26 -0.57 1.81 2.07 -0.94 -0.70 116.25 119.24 2j4b h VAL 24 Ca 0.12 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2j4b h VAL 24 Cb 0.16 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2j4b h VAL 24 CO -0.21 0.35 0.23 0.28 0.02 0.00 0.00 177.57 178.24 2j4b h SER 25 N 1.08 0.79 -0.07 0.57 0.02 -0.89 0.10 113.55 115.15 2j4b h SER 25 Ca 0.24 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2j4b h SER 25 Cb 0.29 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2j4b h SER 25 CO -0.01 0.74 0.02 0.25 -1.14 0.00 0.00 176.83 176.69 2j4b h LEU 26 N 0.79 0.10 -0.67 5.07 5.85 -0.84 -1.92 115.31 123.70 2j4b h LEU 26 Ca 0.19 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.79 2j4b h LEU 26 Cb 0.20 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 2j4b h LEU 26 CO -0.02 0.30 0.27 0.50 -0.34 0.00 0.00 178.44 179.16 2j4b h LYS 27 N -0.10 0.45 -0.05 1.25 3.64 -1.01 0.55 116.57 121.30 2j4b h LYS 27 Ca 0.02 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2j4b h LYS 27 Cb 0.24 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2j4b h LYS 27 CO -0.00 0.30 -0.00 1.15 -2.27 0.00 0.00 179.45 178.63 2j4b h THR 28 N 0.47 1.26 -0.45 1.00 2.02 -0.91 0.30 112.91 116.61 2j4b h THR 28 Ca 0.34 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.75 2j4b h THR 28 Cb 0.43 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2j4b h THR 28 CO -0.32 0.22 0.26 -0.25 0.37 0.00 0.00 175.52 175.80 2j4b h TRP 29 N -0.21 0.50 -0.85 3.16 7.01 -0.86 -1.55 115.95 123.15 2j4b h TRP 29 Ca 0.01 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.04 2j4b h TRP 29 Cb 0.34 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 2j4b h TRP 29 CO 0.04 0.29 0.56 0.82 -2.79 0.00 0.00 178.44 177.36 2j4b h ILE 30 N 0.53 1.20 0.00 2.65 2.04 0.29 -1.76 117.51 122.47 2j4b h ILE 30 Ca 0.18 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2j4b h ILE 30 Cb 0.01 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.05 2j4b h ILE 30 CO -0.08 0.21 -0.14 -0.33 0.00 0.00 0.00 178.15 177.81 2j4b h GLU 31 N 1.14 0.00 -0.16 2.37 5.08 -0.44 -2.99 114.58 119.58 2j4b h GLU 31 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2j4b h GLU 31 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2j4b h GLU 31 CO -0.07 0.14 0.00 -0.25 -1.00 0.00 0.00 179.01 177.83 2j4b n ASP 32 N -3.26 2.20 -4.67 1.42 8.00 -0.63 -4.95 116.55 114.66 2j4b n ASP 32 Ca 0.01 -1.76 -0.25 0.00 0.71 0.00 0.00 54.79 53.49 2j4b n ASP 32 Cb 0.41 -0.10 0.10 0.00 -0.02 0.00 0.00 41.12 41.52 2j4b n ASP 32 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2j4b s SER 33 N -1.71 4.34 0.28 -2.24 1.04 -1.05 -5.04 113.70 109.31 2j4b s SER 33 Ca 0.34 -0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.47 2j4b s SER 33 Cb 0.20 -0.44 -0.10 0.00 0.10 0.00 0.00 66.02 65.79 2j4b s SER 33 CO 0.30 -1.88 1.17 -0.22 0.98 0.00 0.00 173.24 173.59 2j4b s LEU 34 N -5.26 4.50 0.33 2.42 2.96 -1.26 -4.83 118.68 117.54 2j4b s LEU 34 Ca 0.65 2.37 0.08 0.00 -0.22 0.00 0.00 54.13 57.02 2j4b s LEU 34 Cb -0.07 -3.63 0.80 0.00 0.50 0.00 0.00 46.19 43.79 2j4b s LEU 34 CO 0.45 -0.28 1.79 -0.78 -1.32 0.00 0.00 176.35 176.21 2j4b h ASP 35 N 3.96 0.72 -0.98 3.68 3.58 -1.96 0.10 116.42 125.52 2j4b h ASP 35 Ca -0.47 0.08 0.24 0.00 0.42 0.00 0.00 57.03 57.30 2j4b h ASP 35 Cb 1.22 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 42.14 2j4b h ASP 35 CO 0.68 0.27 0.64 0.25 -2.88 0.00 0.00 179.24 178.20 2j4b h LEU 36 N 0.70 0.42 0.01 2.28 5.85 -2.02 -2.48 115.31 120.07 2j4b h LEU 36 Ca 0.55 0.06 -0.37 0.00 0.84 0.00 0.00 57.88 58.97 2j4b h LEU 36 Cb 0.94 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 2j4b h LEU 36 CO -0.33 0.13 -2.31 0.49 -0.34 0.00 0.00 178.44 176.07 2j4b n PHE 37 N -4.55 0.18 -0.31 1.25 3.72 0.23 -4.34 117.46 113.63 2j4b n PHE 37 Ca 0.22 0.05 0.07 0.00 -0.05 0.00 0.00 57.45 57.74 2j4b n PHE 37 Cb 0.79 -1.03 0.27 0.00 -0.94 0.00 0.00 39.48 38.58 2j4b n PHE 37 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2j4b h LYS 38 N 0.00 0.91 -0.88 -1.08 3.64 -0.78 -1.03 116.57 117.36 2j4b h LYS 38 Ca -0.52 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 58.95 2j4b h LYS 38 Cb 2.13 -0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 33.65 2j4b h LYS 38 CO 0.01 0.60 0.47 -0.97 -2.27 0.00 0.00 179.45 177.29 2j4b h ASN 39 N 0.94 0.59 1.29 4.20 -1.24 -1.65 0.52 115.58 120.22 2j4b h ASN 39 Ca 0.43 0.09 -0.06 0.00 0.71 0.00 0.00 56.30 57.47 2j4b h ASN 39 Cb 0.39 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2j4b h ASN 39 CO -0.19 0.25 -0.73 0.44 -1.29 0.00 0.00 177.43 175.90 2j4b h ASP 40 N 0.67 0.00 0.48 1.15 3.32 -1.51 -3.38 116.42 117.14 2j4b h ASP 40 Ca 0.48 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.23 2j4b h ASP 40 Cb 0.66 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2j4b h ASP 40 CO -0.36 0.24 -1.62 -0.07 -1.72 0.00 0.00 179.24 175.72 2j4b h LEU 41 N 0.00 0.19 -0.82 1.55 3.38 0.09 -3.39 115.31 116.31 2j4b h LEU 41 Ca -0.04 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2j4b h LEU 41 Cb 1.22 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2j4b h LEU 41 CO 0.02 1.28 0.45 -0.07 0.09 0.00 0.00 178.44 180.22 2j4b h LEU 42 N 0.03 1.02 -1.04 1.67 3.38 -1.15 -2.78 115.31 116.45 2j4b h LEU 42 Ca -0.26 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2j4b h LEU 42 Cb 1.99 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2j4b h LEU 42 CO 0.11 0.82 0.00 -2.65 0.09 0.00 0.00 178.44 176.82 2j4b n PRO 43 N -4.40 0.12 0.12 1.13 -0.02 -1.26 -1.61 135.00 129.08 2j4b n PRO 43 Ca 0.08 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 2j4b n PRO 43 Cb 0.09 -1.86 0.25 0.00 -0.02 0.00 0.00 33.50 31.96 2j4b n PRO 43 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2j4b h LEU 44 N 0.00 0.17 -1.49 2.45 6.46 -1.74 -3.21 115.31 117.95 2j4b h LEU 44 Ca 0.00 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2j4b h LEU 44 Cb 0.08 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 2j4b h LEU 44 CO 0.00 0.58 0.39 -0.07 -0.62 0.00 0.00 178.44 178.72 2j4b h LEU 45 N 0.14 0.57 0.93 2.25 3.38 -1.48 -2.75 115.31 118.36 2j4b h LEU 45 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2j4b h LEU 45 Cb 0.81 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.44 2j4b h LEU 45 CO 0.06 0.39 -0.46 0.22 0.09 0.00 0.00 178.44 178.74 2j4b h TYR 46 N 0.66 -1.19 -0.26 1.13 3.20 -1.72 0.31 116.97 119.11 2j4b h TYR 46 Ca 0.24 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2j4b h TYR 46 Cb 0.12 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2j4b h TYR 46 CO -0.00 -0.73 -0.05 -1.00 -1.64 0.00 0.00 178.16 174.74 2j4b h PRO 47 N -1.27 0.40 -0.28 1.82 0.13 -1.75 -1.47 132.00 129.58 2j4b h PRO 47 Ca -0.13 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2j4b h PRO 47 Cb 0.97 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 2j4b h PRO 47 CO 0.20 0.46 0.18 1.25 -0.23 0.00 0.00 178.00 179.87 2j4b h LEU 48 N 0.38 0.30 -0.61 1.56 5.85 -1.33 -1.41 115.31 120.06 2j4b h LEU 48 Ca 0.08 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2j4b h LEU 48 Cb 0.33 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2j4b h LEU 48 CO 0.01 0.22 0.28 0.15 -0.34 0.00 0.00 178.44 178.77 2j4b h PHE 49 N 0.37 0.50 -0.33 1.25 3.57 0.21 -1.56 116.94 120.95 2j4b h PHE 49 Ca 0.11 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 2j4b h PHE 49 Cb -0.03 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2j4b h PHE 49 CO -0.06 0.19 -0.10 0.82 -2.23 0.00 0.00 178.31 176.92 2j4b h ILE 50 N 0.51 1.28 -0.53 1.41 1.08 -1.09 -2.15 117.51 118.02 2j4b h ILE 50 Ca 0.29 -1.17 -0.06 0.00 -0.39 0.00 0.00 64.86 63.52 2j4b h ILE 50 Cb 0.29 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 2j4b h ILE 50 CO -0.24 0.38 0.07 0.45 -0.69 0.00 0.00 178.15 178.12 2j4b h HIS 51 N 0.44 0.89 -0.44 1.37 3.86 -1.09 -0.99 115.15 119.18 2j4b h HIS 51 Ca 0.08 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 2j4b h HIS 51 Cb 0.61 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2j4b h HIS 51 CO 0.05 0.78 -0.22 0.82 0.86 0.00 0.00 177.93 180.22 2j4b h ILE 52 N 0.80 1.27 0.47 2.45 2.04 -1.23 -0.54 117.51 122.77 2j4b h ILE 52 Ca 0.17 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 2j4b h ILE 52 Cb 0.38 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2j4b h ILE 52 CO 0.01 0.47 -0.37 0.22 0.00 0.00 0.00 178.15 178.48 2j4b h TYR 53 N 0.76 -0.99 -0.53 1.37 3.20 -1.12 -0.09 116.97 119.57 2j4b h TYR 53 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2j4b h TYR 53 Cb 0.79 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 2j4b h TYR 53 CO 0.06 -0.53 0.34 0.74 -1.64 0.00 0.00 178.16 177.12 2j4b h PHE 54 N -0.83 0.66 -0.38 -3.82 0.04 -1.09 -2.00 116.94 109.53 2j4b h PHE 54 Ca -0.05 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 2j4b h PHE 54 Cb 0.71 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2j4b h PHE 54 CO -0.16 0.42 -0.14 -0.44 -0.60 0.00 0.00 178.31 177.40 2j4b h ASP 55 N 0.71 0.78 -0.65 2.17 3.32 -0.79 0.90 116.42 122.86 2j4b h ASP 55 Ca 0.19 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2j4b h ASP 55 Cb -0.07 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2j4b h ASP 55 CO -0.04 0.99 0.35 -0.07 -1.72 0.00 0.00 179.24 178.75 2j4b h LEU 56 N 0.56 0.81 -0.35 1.55 3.38 -0.51 -0.04 115.31 120.71 2j4b h LEU 56 Ca 0.09 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2j4b h LEU 56 Cb 0.67 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2j4b h LEU 56 CO 0.05 0.68 0.15 0.40 0.09 0.00 0.00 178.44 179.81 2j4b h ILE 57 N 0.88 0.95 -0.02 1.22 2.04 -1.29 -0.11 117.51 121.19 2j4b h ILE 57 Ca 0.23 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2j4b h ILE 57 Cb 0.05 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2j4b h ILE 57 CO -0.04 0.06 -0.09 -0.61 0.00 0.00 0.00 178.15 177.47 2j4b h GLN 58 N 0.33 0.02 -0.57 2.37 4.15 -0.09 -0.59 115.11 120.73 2j4b h GLN 58 Ca 0.15 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2j4b h GLN 58 Cb 0.08 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2j4b h GLN 58 CO -0.12 0.12 0.00 1.04 -1.93 0.00 0.00 178.83 177.94 2j4b n GLN 59 N -4.41 2.34 -3.05 1.69 6.02 -0.10 -4.91 117.38 114.96 2j4b n GLN 59 Ca -0.02 -1.39 -0.22 0.00 -0.01 0.00 0.00 57.00 55.35 2j4b n GLN 59 Cb 0.18 -1.57 0.02 0.00 1.02 0.00 0.00 30.24 29.89 2j4b n GLN 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2j4b n ASN 60 N 0.42 -5.53 -3.70 1.08 3.02 -0.23 -4.94 115.26 105.39 2j4b n ASN 60 Ca 0.13 -0.28 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 2j4b n ASN 60 Cb 0.50 -4.50 -0.04 0.00 -0.61 0.00 0.00 39.78 35.13 2j4b n ASN 60 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2j4b n LYS 61 N -3.88 3.42 -0.16 3.52 5.02 -0.10 -4.90 118.16 121.07 2j4b n LYS 61 Ca -0.10 -4.62 -0.10 0.00 -2.02 0.00 0.00 58.31 51.47 2j4b n LYS 61 Cb 0.61 -2.38 -0.00 0.00 -0.02 0.00 0.00 35.03 33.24 2j4b n LYS 61 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2j4b h THR 62 N 3.30 1.26 -0.71 -0.18 2.02 -1.86 -2.23 112.91 114.50 2j4b h THR 62 Ca 0.20 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 2j4b h THR 62 Cb 0.64 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2j4b h THR 62 CO 1.06 0.36 0.26 0.44 0.37 0.00 0.00 175.52 178.01 2j4b h ASP 63 N 0.65 1.00 0.14 4.18 3.32 -1.94 -0.68 116.42 123.09 2j4b h ASP 63 Ca 0.13 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 2j4b h ASP 63 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2j4b h ASP 63 CO 0.02 0.91 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.65 2j4b h GLU 64 N 1.05 0.39 -0.44 3.56 3.07 -1.93 -1.41 114.58 118.86 2j4b h GLU 64 Ca 0.24 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 2j4b h GLU 64 Cb 0.24 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2j4b h GLU 64 CO -0.01 0.78 0.19 0.00 -1.40 0.00 0.00 179.01 178.56 2j4b h ALA 65 N 1.19 0.56 -0.28 3.43 0.00 -0.94 -1.48 119.26 121.75 2j4b h ALA 65 Ca 0.02 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2j4b h ALA 65 Cb 0.94 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2j4b h ALA 65 CO 0.08 0.15 -0.53 0.87 0.00 0.00 0.00 179.25 179.82 2j4b h LYS 66 N 0.56 0.82 -0.53 0.00 1.57 -0.87 -0.78 116.57 117.35 2j4b h LYS 66 Ca 0.15 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2j4b h LYS 66 Cb 0.16 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2j4b h LYS 66 CO -0.01 1.14 0.34 1.49 -0.57 0.00 0.00 179.45 181.84 2j4b h GLU 67 N 0.63 0.70 0.03 3.15 4.81 -1.20 -1.55 114.58 121.16 2j4b h GLU 67 Ca 0.02 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2j4b h GLU 67 Cb 1.13 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2j4b h GLU 67 CO 0.12 0.47 -0.02 0.35 -0.73 0.00 0.00 179.01 179.20 2j4b h PHE 68 N 0.71 -0.04 0.11 0.92 3.57 -1.15 -2.01 116.94 119.04 2j4b h PHE 68 Ca 0.19 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2j4b h PHE 68 Cb -0.07 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2j4b h PHE 68 CO -0.04 0.01 -0.26 0.35 -2.23 0.00 0.00 178.31 176.14 2j4b h PHE 69 N -0.08 -0.70 0.00 0.41 3.57 -0.82 -1.54 116.94 117.78 2j4b h PHE 69 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2j4b h PHE 69 Cb 0.07 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2j4b h PHE 69 CO -0.07 -0.36 -0.19 0.93 -2.23 0.00 0.00 178.31 176.39 2j4b h GLU 70 N -0.46 0.00 0.03 1.11 4.39 -1.35 -1.20 114.58 117.10 2j4b h GLU 70 Ca 0.03 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.50 2j4b h GLU 70 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2j4b h GLU 70 CO -0.16 0.19 -1.01 -0.22 -1.16 0.00 0.00 179.01 176.65 2j4b h LYS 71 N 0.00 0.36 0.00 2.33 3.64 -0.54 -3.36 116.57 119.00 2j4b h LYS 71 Ca -0.00 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2j4b h LYS 71 Cb 0.41 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2j4b h LYS 71 CO 0.02 1.12 0.00 0.66 -2.27 0.00 0.00 179.45 178.99 2j4b n TYR 72 N -3.69 0.00 0.25 1.91 4.01 -0.67 -4.70 117.16 114.27 2j4b n TYR 72 Ca -0.07 -0.37 0.08 0.00 -0.16 0.00 0.00 57.90 57.39 2j4b n TYR 72 Cb 0.88 -0.04 0.63 0.00 -0.31 0.00 0.00 39.34 40.50 2j4b n TYR 72 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 2j4b h ARG 73 N 0.00 0.00 0.00 -0.72 0.11 -1.37 -2.72 114.38 109.69 2j4b h ARG 73 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2j4b h ARG 73 Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 2j4b h ARG 73 CO 0.00 0.09 -0.10 0.78 0.10 0.00 0.00 179.97 180.84 2j4b h GLY 74 N 0.33 0.00 2.00 0.08 0.00 -1.84 -2.62 103.07 101.01 2j4b h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j4b h GLY 74 CO 0.01 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.00 2j4b h ASP 75 N 0.00 0.00 -1.44 0.19 3.32 -1.84 -3.17 116.42 113.47 2j4b h ASP 75 Ca -0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2j4b h ASP 75 Cb 0.55 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.70 2j4b h ASP 75 CO 0.01 0.00 -0.46 1.41 -1.72 0.00 0.00 179.24 178.48 2j4b n HIS 76 N -3.06 3.25 -0.24 4.55 8.25 -0.99 -4.83 115.22 122.15 2j4b n HIS 76 Ca -0.02 -2.87 0.20 0.00 -0.26 0.00 0.00 57.72 54.77 2j4b n HIS 76 Cb 0.14 -0.31 0.52 0.00 1.12 0.00 0.00 29.99 31.46 2j4b n HIS 76 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 2j4b h TYR 77 N 2.55 0.52 0.00 4.41 -0.00 -1.74 0.19 116.97 122.90 2j4b h TYR 77 Ca 0.36 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 59.10 2j4b h TYR 77 Cb 0.90 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 37.47 2j4b h TYR 77 CO 0.89 0.13 0.00 -2.95 -0.00 0.00 0.00 178.16 176.23 2j4b h ASN 78 N 0.38 0.00 -0.07 0.10 -1.07 -1.92 -2.66 115.58 110.35 2j4b h ASN 78 Ca 0.47 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.81 2j4b h ASN 78 Cb 1.21 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.44 2j4b h ASN 78 CO -0.17 0.00 -0.31 0.29 0.07 0.00 0.00 177.43 177.31 2j4b n LYS 79 N -2.51 1.62 -0.31 4.14 4.76 0.66 -4.79 118.16 121.73 2j4b n LYS 79 Ca -0.01 -3.12 0.02 0.00 -2.87 0.00 0.00 58.31 52.33 2j4b n LYS 79 Cb 0.09 -1.64 0.21 0.00 -1.84 0.00 0.00 35.03 31.85 2j4b n LYS 79 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2j4b h SER 80 N 0.82 0.96 -0.86 4.39 4.64 -1.50 0.27 113.55 122.27 2j4b h SER 80 Ca 0.04 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2j4b h SER 80 Cb 1.12 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 2j4b h SER 80 CO 0.07 0.64 0.55 -0.33 -0.87 0.00 0.00 176.83 176.89 2j4b h GLU 81 N 1.10 1.15 0.16 4.77 3.07 -1.86 -1.07 114.58 121.90 2j4b h GLU 81 Ca 0.37 -0.09 -0.24 0.00 -0.50 0.00 0.00 59.36 58.91 2j4b h GLU 81 Cb 0.09 -0.25 0.03 0.00 -0.84 0.00 0.00 28.75 27.77 2j4b h GLU 81 CO -0.12 0.78 -1.05 0.93 -1.40 0.00 0.00 179.01 178.15 2j4b h GLU 82 N 1.18 0.42 -0.54 2.33 5.08 -1.70 -3.12 114.58 118.23 2j4b h GLU 82 Ca 0.31 -0.67 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 2j4b h GLU 82 Cb -0.10 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2j4b h GLU 82 CO -0.06 1.31 0.36 0.82 -1.00 0.00 0.00 179.01 180.44 2j4b h ILE 83 N -0.12 0.92 0.00 3.13 2.04 -0.43 0.07 117.51 123.12 2j4b h ILE 83 Ca -0.18 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2j4b h ILE 83 Cb 1.81 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2j4b h ILE 83 CO 0.20 0.07 -0.30 0.50 0.00 0.00 0.00 178.15 178.61 2j4b h LYS 84 N 0.38 0.00 -0.15 2.37 3.64 -1.15 -1.11 116.57 120.55 2j4b h LYS 84 Ca 0.24 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 2j4b h LYS 84 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2j4b h LYS 84 CO -0.06 0.30 -0.51 1.96 -2.27 0.00 0.00 179.45 178.87 2j4b h GLN 85 N 0.00 0.42 0.00 1.90 4.20 -0.94 -3.27 115.11 117.42 2j4b h GLN 85 Ca -0.00 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2j4b h GLN 85 Cb 0.55 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2j4b h GLN 85 CO 0.04 0.83 -0.41 0.74 -0.67 0.00 0.00 178.83 179.35 2j4b h PHE 86 N 0.33 0.00 -0.05 2.96 0.04 -0.96 -3.39 116.94 115.87 2j4b h PHE 86 Ca 0.01 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2j4b h PHE 86 Cb 1.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2j4b h PHE 86 CO 0.03 0.10 0.10 1.05 -0.60 0.00 0.00 178.31 178.99 2j4b h GLU 87 N 0.00 0.00 -0.01 1.51 4.11 -1.28 -1.45 114.58 117.46 2j4b h GLU 87 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2j4b h GLU 87 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2j4b h GLU 87 CO 0.01 0.00 -0.16 -1.13 0.07 0.00 0.00 179.01 177.80 2j4b n SER 88 N -3.42 1.55 -4.67 3.06 3.41 -1.26 -4.90 113.62 107.39 2j4b n SER 88 Ca -0.02 -1.32 -0.41 0.00 -0.26 0.00 0.00 58.87 56.86 2j4b n SER 88 Cb 0.18 0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 2j4b n SER 88 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2j4b s ILE 89 N -2.26 4.88 0.00 -1.33 1.01 -0.55 -4.90 121.20 118.05 2j4b s ILE 89 Ca 0.29 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.57 2j4b s ILE 89 Cb 0.20 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2j4b s ILE 89 CO 0.44 0.03 0.00 -1.22 0.00 0.00 0.00 174.94 174.18 2j4b n TYR 90 N 5.22 0.00 -4.37 3.97 4.01 -1.26 -5.02 117.16 119.71 2j4b n TYR 90 Ca 0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.60 2j4b n TYR 90 Cb 0.49 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.41 2j4b n TYR 90 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2j4b s THR 91 N -1.60 1.14 0.49 -0.72 -4.23 -1.26 -4.77 115.64 104.69 2j4b s THR 91 Ca 0.00 -2.04 0.18 0.00 -1.18 0.00 0.00 61.69 58.65 2j4b s THR 91 Cb 0.00 -2.45 0.24 0.00 1.34 0.00 0.00 72.50 71.64 2j4b s THR 91 CO 0.00 -0.25 2.09 -0.37 -0.54 0.00 0.00 174.62 175.54 2j4b h VAL 92 N 2.38 0.96 -0.20 2.29 -1.51 -1.97 -2.07 116.25 116.12 2j4b h VAL 92 Ca -0.39 -0.33 -0.07 0.00 -1.23 0.00 0.00 66.70 64.68 2j4b h VAL 92 Cb 1.23 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2j4b h VAL 92 CO 0.66 0.09 -0.15 -0.61 -1.23 0.00 0.00 177.57 176.33 2j4b h GLN 93 N 0.00 0.46 -0.77 5.19 5.75 -1.98 -2.09 115.11 121.67 2j4b h GLN 93 Ca -0.00 -0.22 0.11 0.00 -0.15 0.00 0.00 58.65 58.38 2j4b h GLN 93 Cb 0.18 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 2j4b h GLN 93 CO 0.01 0.78 0.50 0.45 -2.65 0.00 0.00 178.83 177.93 2j4b h HIS 94 N 0.15 0.70 -0.46 3.99 3.86 -1.79 0.97 115.15 122.57 2j4b h HIS 94 Ca 0.04 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 2j4b h HIS 94 Cb 0.67 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2j4b h HIS 94 CO 0.07 0.32 0.10 0.82 0.86 0.00 0.00 177.93 180.10 2j4b h ILE 95 N 0.64 1.24 -0.48 2.45 2.04 -1.17 -2.36 117.51 119.87 2j4b h ILE 95 Ca 0.36 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 2j4b h ILE 95 Cb 0.53 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2j4b h ILE 95 CO -0.13 0.30 -0.05 -0.74 0.00 0.00 0.00 178.15 177.52 2j4b h HIS 96 N 0.62 0.98 -0.55 1.37 2.76 -0.53 -3.12 115.15 116.67 2j4b h HIS 96 Ca 0.14 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 2j4b h HIS 96 Cb 0.34 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 2j4b h HIS 96 CO 0.02 0.94 0.19 0.93 -1.30 0.00 0.00 177.93 178.71 2j4b h GLU 97 N 0.74 0.81 -5.13 5.26 5.08 -0.86 -3.43 114.58 117.05 2j4b h GLU 97 Ca 0.13 -0.14 -0.64 0.00 -1.00 0.00 0.00 59.36 57.71 2j4b h GLU 97 Cb 0.58 -0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.54 2j4b h GLU 97 CO 0.03 0.69 -0.18 1.21 -1.00 0.00 0.00 179.01 179.77 2j4b s ASN 98 N -6.56 6.26 0.28 1.42 2.47 -0.89 -4.98 114.94 112.95 2j4b s ASN 98 Ca -0.10 0.03 0.06 0.00 0.42 0.00 0.00 52.86 53.28 2j4b s ASN 98 Cb 0.16 -2.23 0.41 0.00 -1.45 0.00 0.00 41.25 38.14 2j4b s ASN 98 CO 0.79 -0.34 1.67 -1.13 -3.72 0.00 0.00 177.10 174.37 2j4b h ASN 99 N 8.35 0.23 -0.01 -4.21 -1.24 -1.83 -2.77 115.58 114.11 2j4b h ASN 99 Ca -0.30 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.59 2j4b h ASN 99 Cb 1.14 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 2j4b h ASN 99 CO 0.71 0.67 -0.04 -0.26 -1.29 0.00 0.00 177.43 177.21 2j4b h PHE 100 N 0.17 0.14 0.07 0.67 0.04 -1.93 -1.31 116.94 114.79 2j4b h PHE 100 Ca 0.01 -0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.50 2j4b h PHE 100 Cb 0.90 -0.04 0.02 0.00 2.20 0.00 0.00 35.95 39.02 2j4b h PHE 100 CO 0.01 0.19 -1.15 0.00 -0.60 0.00 0.00 178.31 176.77 2j4b h ALA 101 N 1.82 0.10 0.33 2.45 0.00 -1.79 -3.01 119.26 119.15 2j4b h ALA 101 Ca 0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 2j4b h ALA 101 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2j4b h ALA 101 CO 0.01 0.73 -0.16 -0.92 0.00 0.00 0.00 179.25 178.91 2j4b h TYR 102 N 0.29 -0.41 0.00 0.00 3.20 -1.10 -0.18 116.97 118.77 2j4b h TYR 102 Ca -0.15 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.66 2j4b h TYR 102 Cb 1.81 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 40.21 2j4b h TYR 102 CO 0.10 -0.16 -0.22 1.79 -1.64 0.00 0.00 178.16 178.03 2j4b h THR 103 N -0.61 0.82 -0.16 1.81 1.35 -1.41 -2.30 112.91 112.42 2j4b h THR 103 Ca -0.05 -0.88 -0.11 0.00 -0.55 0.00 0.00 66.41 64.82 2j4b h THR 103 Cb 0.44 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2j4b h THR 103 CO 0.07 0.22 -0.32 0.15 -0.25 0.00 0.00 175.52 175.40 2j4b h PHE 104 N 0.00 0.62 -0.16 4.73 3.04 -1.38 -1.56 116.94 122.23 2j4b h PHE 104 Ca -0.00 -0.23 -0.06 0.00 3.98 0.00 0.00 57.97 61.66 2j4b h PHE 104 Cb 0.51 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 2j4b h PHE 104 CO 0.00 0.95 -0.19 -0.22 -2.02 0.00 0.00 178.31 176.83 2j4b h LYS 105 N 0.12 0.28 0.01 1.11 3.64 -0.60 -3.28 116.57 117.84 2j4b h LYS 105 Ca 0.00 -0.08 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 2j4b h LYS 105 Cb 0.91 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2j4b h LYS 105 CO 0.07 0.46 -1.18 -0.91 -2.27 0.00 0.00 179.45 175.62 2j4b h ASN 106 N 0.26 0.03 -4.26 4.20 2.35 -1.49 -3.49 115.58 113.18 2j4b h ASN 106 Ca 0.05 -0.59 -0.39 0.00 -0.55 0.00 0.00 56.30 54.81 2j4b h ASN 106 Cb 0.48 -0.01 0.13 0.00 0.05 0.00 0.00 38.32 38.97 2j4b h ASN 106 CO 0.03 1.47 0.27 -1.54 -1.65 0.00 0.00 177.43 176.01 2j4b n SER 107 N -4.39 0.51 -4.85 5.81 3.41 -0.59 -5.04 113.62 108.48 2j4b n SER 107 Ca -0.30 -1.65 -0.35 0.00 -0.26 0.00 0.00 58.87 56.31 2j4b n SER 107 Cb 0.69 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 2j4b n SER 107 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2j4b s LYS 108 N -5.29 3.92 -0.21 4.33 -0.14 -1.26 -4.88 119.74 116.20 2j4b s LYS 108 Ca 0.64 0.40 -0.09 0.00 -1.36 0.00 0.00 55.97 55.56 2j4b s LYS 108 Cb -0.02 -2.98 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 2j4b s LYS 108 CO 0.44 0.52 0.10 -0.47 -0.76 0.00 0.00 175.35 175.18 2j4b s TYR 109 N -1.41 3.27 -0.17 3.18 5.04 -0.16 -4.91 117.35 122.19 2j4b s TYR 109 Ca 0.35 0.09 -0.13 0.00 -2.44 0.00 0.00 57.07 54.94 2j4b s TYR 109 Cb -0.15 -2.17 -0.05 0.00 0.35 0.00 0.00 41.96 39.95 2j4b s TYR 109 CO 0.18 0.08 0.26 -1.01 -1.34 0.00 0.00 175.55 173.72 2j4b s HIS 110 N 0.74 3.45 0.26 4.97 3.76 -1.26 -1.74 115.29 125.47 2j4b s HIS 110 Ca 0.05 0.54 0.06 0.00 -0.15 0.00 0.00 55.06 55.57 2j4b s HIS 110 Cb -0.13 -2.30 -0.06 0.00 1.11 0.00 0.00 32.58 31.20 2j4b s HIS 110 CO 0.02 0.25 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.60 2j4b s LEU 111 N 0.43 2.43 -0.04 0.89 1.43 -0.53 -4.99 118.68 118.30 2j4b s LEU 111 Ca 0.15 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 2j4b s LEU 111 Cb -0.13 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.55 2j4b s LEU 111 CO 0.03 -0.36 -0.04 -0.55 0.23 0.00 0.00 176.35 175.66 2j4b s SER 112 N -3.40 0.88 0.03 2.29 0.15 -1.26 -1.51 113.70 110.88 2j4b s SER 112 Ca 0.28 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.64 2j4b s SER 112 Cb 0.04 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.95 2j4b s SER 112 CO 0.11 -0.05 0.39 0.00 1.20 0.00 0.00 173.24 174.88 2j4b s MET 113 N 0.88 0.86 0.38 5.44 0.23 -1.04 -4.83 119.30 121.22 2j4b s MET 113 Ca -0.12 -0.33 -0.26 0.00 -1.03 0.00 0.00 55.69 53.95 2j4b s MET 113 Cb -0.14 0.38 -0.09 0.00 -1.53 0.00 0.00 34.83 33.45 2j4b s MET 113 CO 0.00 -0.28 1.18 0.20 -2.03 0.00 0.00 175.02 174.09 2j4b s GLY 114 N -1.86 2.90 0.34 3.16 0.00 -1.26 -1.78 107.32 108.82 2j4b s GLY 114 Ca -0.07 0.99 0.13 0.00 0.00 0.00 0.00 44.72 45.77 2j4b s GLY 114 CO -0.01 1.52 1.64 -0.09 0.00 0.00 0.00 173.10 176.17 2j4b h ARG 115 N 2.83 0.23 -0.24 2.90 2.43 -1.63 -0.57 114.38 120.33 2j4b h ARG 115 Ca -0.49 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 2j4b h ARG 115 Cb 1.23 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2j4b h ARG 115 CO 0.63 0.15 -0.24 -0.92 -1.51 0.00 0.00 179.97 178.09 2j4b h TYR 116 N 0.24 0.71 -0.40 2.20 5.03 -1.92 -0.19 116.97 122.64 2j4b h TYR 116 Ca 0.72 -0.21 0.04 0.00 2.58 0.00 0.00 58.73 61.85 2j4b h TYR 116 Cb 1.65 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.74 2j4b h TYR 116 CO -0.08 0.91 0.17 0.00 -1.32 0.00 0.00 178.16 177.85 2j4b h ALA 117 N 0.68 0.48 -0.27 1.82 0.00 -1.58 -0.20 119.26 120.18 2j4b h ALA 117 Ca 0.04 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2j4b h ALA 117 Cb 0.79 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2j4b h ALA 117 CO 0.06 -0.21 0.02 0.35 0.00 0.00 0.00 179.25 179.47 2j4b h PHE 118 N 0.35 0.02 -0.33 0.00 3.57 -0.96 0.13 116.94 119.73 2j4b h PHE 118 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2j4b h PHE 118 Cb 0.12 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2j4b h PHE 118 CO -0.12 -0.02 0.18 -0.44 -2.23 0.00 0.00 178.31 175.67 2j4b h ASP 119 N 0.11 0.27 -0.07 0.41 3.32 -0.76 -1.40 116.42 118.30 2j4b h ASP 119 Ca 0.13 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2j4b h ASP 119 Cb 0.15 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 2j4b h ASP 119 CO -0.20 0.20 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.19 2j4b h LEU 120 N 0.37 -0.82 0.05 1.55 3.38 -0.39 -2.37 115.31 117.08 2j4b h LEU 120 Ca 0.13 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2j4b h LEU 120 Cb 0.03 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2j4b h LEU 120 CO -0.08 -0.33 -0.31 0.25 0.09 0.00 0.00 178.44 178.07 2j4b h LEU 121 N -0.37 -0.93 -0.88 1.67 5.85 -0.46 -1.76 115.31 118.42 2j4b h LEU 121 Ca 0.08 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2j4b h LEU 121 Cb 0.49 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 2j4b h LEU 121 CO -0.28 -0.32 0.54 0.40 -0.34 0.00 0.00 178.44 178.44 2j4b h ILE 122 N -0.43 0.97 -0.12 4.05 1.08 -1.26 0.15 117.51 121.96 2j4b h ILE 122 Ca -0.00 -0.32 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2j4b h ILE 122 Cb 0.43 -0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 2j4b h ILE 122 CO -0.18 0.17 -0.15 0.78 -0.69 0.00 0.00 178.15 178.08 2j4b h ASN 123 N 0.92 -0.47 -0.21 1.72 2.35 -1.31 -0.83 115.58 117.75 2j4b h ASN 123 Ca 0.41 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2j4b h ASN 123 Cb 0.30 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2j4b h ASN 123 CO -0.22 -0.20 0.14 0.15 -1.65 0.00 0.00 177.43 175.65 2j4b h PHE 124 N -0.19 0.26 -0.07 1.19 3.57 -0.24 0.01 116.94 121.46 2j4b h PHE 124 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2j4b h PHE 124 Cb 0.32 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2j4b h PHE 124 CO -0.26 0.16 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.85 2j4b h LEU 125 N 0.28 0.09 0.09 0.59 3.38 -0.83 -1.19 115.31 117.72 2j4b h LEU 125 Ca 0.08 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2j4b h LEU 125 Cb -0.03 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2j4b h LEU 125 CO -0.02 0.16 -0.81 -0.33 0.09 0.00 0.00 178.44 177.53 2j4b h GLU 126 N 0.10 0.20 -0.55 1.13 5.08 -0.81 0.13 114.58 119.85 2j4b h GLU 126 Ca 0.02 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2j4b h GLU 126 Cb 0.17 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2j4b h GLU 126 CO 0.01 1.16 0.26 0.93 -1.00 0.00 0.00 179.01 180.37 2j4b h GLU 127 N -0.55 0.79 -0.00 2.33 5.08 -0.89 -1.23 114.58 120.12 2j4b h GLU 127 Ca -0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2j4b h GLU 127 Cb 1.50 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2j4b h GLU 127 CO 0.07 0.66 -0.01 0.54 -1.00 0.00 0.00 179.01 179.26 2j4b n ARG 128 N -4.56 0.67 -3.59 2.33 5.12 -0.46 -4.95 116.66 111.22 2j4b n ARG 128 Ca 0.03 -0.04 -0.26 0.00 -1.93 0.00 0.00 57.85 55.65 2j4b n ARG 128 Cb 0.12 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 29.97 2j4b n ARG 128 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2j4b n ASN 129 N -1.13 -4.87 -4.29 0.55 2.85 -0.46 -4.90 115.26 103.01 2j4b n ASN 129 Ca 0.18 -0.91 -0.44 0.00 -0.11 0.00 0.00 54.58 53.29 2j4b n ASN 129 Cb 0.20 -3.91 0.00 0.00 1.24 0.00 0.00 39.78 37.31 2j4b n ASN 129 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2j4b n LEU 130 N -3.98 5.66 0.28 1.20 4.77 -0.01 -4.88 117.00 120.04 2j4b n LEU 130 Ca -0.12 -4.94 0.16 0.00 -0.03 0.00 0.00 56.01 51.08 2j4b n LEU 130 Cb 0.61 -1.48 0.79 0.00 -2.33 0.00 0.00 43.42 41.02 2j4b n LEU 130 CO 0.66 1.28 1.01 0.71 -1.33 0.00 0.00 177.39 179.71 2j4b h THR 131 N 3.81 0.29 -0.07 -5.08 1.35 -1.90 -2.50 112.91 108.80 2j4b h THR 131 Ca 0.22 -0.48 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 2j4b h THR 131 Cb 0.82 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2j4b h THR 131 CO 1.14 0.07 -0.09 0.22 -0.25 0.00 0.00 175.52 176.61 2j4b h TYR 132 N 0.00 0.23 -0.48 4.73 3.20 -1.98 -2.59 116.97 120.08 2j4b h TYR 132 Ca -0.00 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 2j4b h TYR 132 Cb 0.36 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2j4b h TYR 132 CO 0.00 0.65 0.05 0.82 -1.64 0.00 0.00 178.16 178.04 2j4b h ILE 133 N -0.25 1.23 -0.72 1.81 2.04 -1.91 -2.31 117.51 117.39 2j4b h ILE 133 Ca 0.01 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 2j4b h ILE 133 Cb 0.62 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2j4b h ILE 133 CO 0.02 0.32 0.41 -0.07 0.00 0.00 0.00 178.15 178.83 2j4b h LEU 134 N 0.72 0.89 -0.39 1.44 3.38 -1.48 -1.68 115.31 118.20 2j4b h LEU 134 Ca 0.15 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2j4b h LEU 134 Cb 0.36 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2j4b h LEU 134 CO 0.01 0.72 -0.51 0.07 0.09 0.00 0.00 178.44 178.81 2j4b h LYS 135 N 0.99 0.80 -0.29 1.13 2.10 -1.21 -1.33 116.57 118.75 2j4b h LYS 135 Ca 0.26 -0.49 0.05 0.00 -2.00 0.00 0.00 60.65 58.47 2j4b h LYS 135 Cb 0.01 0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.35 2j4b h LYS 135 CO -0.04 1.12 0.02 0.82 -2.00 0.00 0.00 179.45 179.36 2j4b h ILE 136 N 0.62 0.81 -0.24 0.07 1.08 -1.33 0.21 117.51 118.74 2j4b h ILE 136 Ca 0.02 -0.04 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 2j4b h ILE 136 Cb 1.10 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 2j4b h ILE 136 CO 0.11 0.02 -0.14 0.25 -0.69 0.00 0.00 178.15 177.70 2j4b h LEU 137 N 0.11 -0.45 -0.53 1.44 5.85 -1.10 0.36 115.31 120.99 2j4b h LEU 137 Ca 0.14 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.80 2j4b h LEU 137 Cb 0.17 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2j4b h LEU 137 CO -0.22 -0.17 -0.58 0.78 -0.34 0.00 0.00 178.44 177.91 2j4b h ASN 138 N -0.12 0.55 0.05 1.25 2.35 -0.90 -2.88 115.58 115.89 2j4b h ASN 138 Ca 0.13 -0.31 -0.17 0.00 -0.55 0.00 0.00 56.30 55.40 2j4b h ASN 138 Cb 0.31 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2j4b h ASN 138 CO -0.31 1.01 -0.88 1.56 -1.65 0.00 0.00 177.43 177.16 2j4b h GLN 139 N 0.37 0.11 -0.02 0.81 4.20 -0.40 -3.42 115.11 116.76 2j4b h GLN 139 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2j4b h GLN 139 Cb 1.12 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2j4b h GLN 139 CO 0.10 1.09 0.00 0.72 -0.67 0.00 0.00 178.83 180.07 2j4b n HIS 140 N -4.29 0.02 -4.54 2.96 8.25 0.13 -4.94 115.22 112.81 2j4b n HIS 140 Ca -0.21 -0.14 -0.30 0.00 -0.26 0.00 0.00 57.72 56.81 2j4b n HIS 140 Cb 0.71 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.64 2j4b n HIS 140 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2j4b s LEU 141 N -0.41 1.84 -0.43 2.41 1.43 -1.09 -0.99 118.68 121.45 2j4b s LEU 141 Ca 0.03 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 2j4b s LEU 141 Cb 0.02 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 45.07 2j4b s LEU 141 CO 0.03 0.04 0.35 -1.81 0.23 0.00 0.00 176.35 175.18 2j4b s ASP 142 N 0.92 6.13 -0.28 2.29 1.01 -0.71 -4.71 116.67 121.33 2j4b s ASP 142 Ca -0.07 -0.95 -0.08 0.00 0.71 0.00 0.00 52.55 52.17 2j4b s ASP 142 Cb -0.15 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 2j4b s ASP 142 CO -0.01 -0.52 0.09 -0.63 0.21 0.00 0.00 175.17 174.31 2j4b s ILE 143 N 1.76 4.28 -0.28 0.77 1.01 -1.26 -1.45 121.20 126.04 2j4b s ILE 143 Ca 0.06 -0.37 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 2j4b s ILE 143 Cb -0.20 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 2j4b s ILE 143 CO 0.10 0.20 0.83 -0.75 0.00 0.00 0.00 174.94 175.32 2j4b s LYS 144 N 1.58 4.08 -0.31 2.79 2.20 -0.57 -4.98 119.74 124.54 2j4b s LYS 144 Ca 0.05 0.80 -0.14 0.00 -0.36 0.00 0.00 55.97 56.32 2j4b s LYS 144 Cb -0.16 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 2j4b s LYS 144 CO 0.04 -0.62 0.30 0.08 -0.36 0.00 0.00 175.35 174.79 2j4b s VAL 145 N 2.95 5.22 0.13 4.02 1.01 -1.26 -2.48 120.40 129.99 2j4b s VAL 145 Ca 0.35 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2j4b s VAL 145 Cb -0.15 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 2j4b s VAL 145 CO 0.10 0.07 1.05 -0.47 0.00 0.00 0.00 175.10 175.85 2j4b s TYR 146 N 1.92 3.67 0.00 5.22 5.04 -0.73 -4.83 117.35 127.64 2j4b s TYR 146 Ca 0.10 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2j4b s TYR 146 Cb -0.16 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 38.96 2j4b s TYR 146 CO 0.11 -0.30 0.39 1.33 -1.34 0.00 0.00 175.55 175.74