#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 0.59 -0.28 3.69 2.86 -2.01 -1.31 114.93 118.47 2j4b h MET 19 Ca 0.00 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 2j4b h MET 19 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2j4b h MET 19 CO 0.00 0.89 0.08 1.49 1.06 0.00 0.00 176.91 180.43 2j4b h GLU 20 N 0.30 0.44 -0.92 1.72 4.81 -1.99 -1.64 114.58 117.30 2j4b h GLU 20 Ca 0.04 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 2j4b h GLU 20 Cb 0.77 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 2j4b h GLU 20 CO 0.06 0.51 0.56 1.15 -0.73 0.00 0.00 179.01 180.56 2j4b h THR 21 N 0.29 0.93 -0.15 0.32 2.02 -1.99 -0.63 112.91 113.70 2j4b h THR 21 Ca 0.09 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 2j4b h THR 21 Cb 0.26 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2j4b h THR 21 CO -0.00 0.17 -0.15 0.28 0.37 0.00 0.00 175.52 176.18 2j4b h SER 22 N 0.92 0.39 0.14 4.18 0.02 -1.05 -1.37 113.55 116.79 2j4b h SER 22 Ca 0.45 -0.48 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2j4b h SER 22 Cb 0.41 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 2j4b h SER 22 CO -0.25 0.79 -0.43 0.22 -1.14 0.00 0.00 176.83 176.02 2j4b h TYR 23 N -0.01 -1.22 -0.92 3.45 3.20 -0.90 -1.52 116.97 119.05 2j4b h TYR 23 Ca 0.02 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.04 2j4b h TYR 23 Cb 0.69 0.52 -0.08 0.00 1.54 0.00 0.00 36.73 39.39 2j4b h TYR 23 CO 0.09 -0.53 0.55 0.28 -1.64 0.00 0.00 178.16 176.90 2j4b h VAL 24 N -0.68 0.87 -0.75 1.81 2.07 -1.12 0.18 116.25 118.63 2j4b h VAL 24 Ca 0.01 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2j4b h VAL 24 Cb 0.70 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2j4b h VAL 24 CO -0.24 0.16 0.25 0.28 0.02 0.00 0.00 177.57 178.04 2j4b h SER 25 N 0.85 1.07 0.04 0.57 0.02 -0.67 -0.85 113.55 114.58 2j4b h SER 25 Ca 0.47 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2j4b h SER 25 Cb 0.50 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2j4b h SER 25 CO -0.28 0.98 -0.02 0.25 -1.14 0.00 0.00 176.83 176.61 2j4b h LEU 26 N 1.11 -0.05 -0.64 5.07 5.85 -0.33 -2.24 115.31 124.08 2j4b h LEU 26 Ca 0.24 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.74 2j4b h LEU 26 Cb 0.28 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 2j4b h LEU 26 CO -0.01 0.27 -0.52 0.50 -0.34 0.00 0.00 178.44 178.35 2j4b h LYS 27 N -0.38 -0.22 0.00 1.25 1.63 -0.50 0.81 116.57 119.17 2j4b h LYS 27 Ca -0.01 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.72 2j4b h LYS 27 Cb 0.34 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2j4b h LYS 27 CO 0.01 -0.15 -0.41 1.79 -3.45 0.00 0.00 179.45 177.24 2j4b h THR 28 N -0.23 1.17 -0.35 1.00 1.35 -1.18 -1.03 112.91 113.65 2j4b h THR 28 Ca 0.14 -1.48 -0.11 0.00 -0.55 0.00 0.00 66.41 64.42 2j4b h THR 28 Cb 0.54 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 2j4b h THR 28 CO -0.73 0.41 -0.22 -0.25 -0.25 0.00 0.00 175.52 174.47 2j4b h TRP 29 N 0.00 0.76 -0.25 4.73 7.01 -0.65 -2.26 115.95 125.29 2j4b h TRP 29 Ca -0.00 -0.16 -0.17 0.00 2.11 0.00 0.00 58.89 60.66 2j4b h TRP 29 Cb 0.79 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.67 2j4b h TRP 29 CO 0.00 0.84 -0.54 0.82 -2.79 0.00 0.00 178.44 176.76 2j4b h ILE 30 N 0.59 1.30 0.00 2.65 2.04 -0.29 -2.18 117.51 121.62 2j4b h ILE 30 Ca 0.09 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2j4b h ILE 30 Cb 0.70 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2j4b h ILE 30 CO 0.05 0.56 0.00 -0.33 0.00 0.00 0.00 178.15 178.43 2j4b h GLU 31 N 0.56 0.00 0.00 2.37 5.08 -1.09 -3.02 114.58 118.49 2j4b h GLU 31 Ca 0.01 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.11 2j4b h GLU 31 Cb 1.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2j4b h GLU 31 CO 0.11 0.00 -2.17 -0.25 -1.00 0.00 0.00 179.01 175.70 2j4b n ASP 32 N -2.41 0.14 -4.78 1.42 8.00 -0.86 -5.00 116.55 113.06 2j4b n ASP 32 Ca 0.01 0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.26 2j4b n ASP 32 Cb 0.20 1.06 0.07 0.00 -0.02 0.00 0.00 41.12 42.44 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 -5.35 4.78 0.17 -2.24 1.04 -0.84 -4.90 113.70 106.36 2j4b s SER 33 Ca -0.09 1.84 -0.33 0.00 0.48 0.00 0.00 55.95 57.86 2j4b s SER 33 Cb 0.08 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.52 2j4b s SER 33 CO 0.84 -1.85 1.21 0.18 0.98 0.00 0.00 173.24 174.60 2j4b n LEU 34 N -3.16 1.73 0.24 2.42 4.77 -1.26 -4.79 117.00 116.94 2j4b n LEU 34 Ca 0.09 1.14 0.16 0.00 -0.03 0.00 0.00 56.01 57.38 2j4b n LEU 34 Cb 0.53 -1.24 0.74 0.00 -2.33 0.00 0.00 43.42 41.12 2j4b n LEU 34 CO 0.52 -1.18 1.14 0.44 -1.33 0.00 0.00 177.39 176.98 2j4b h ASP 35 N 3.57 0.00 0.24 -1.43 3.32 -1.93 -0.74 116.42 119.46 2j4b h ASP 35 Ca -0.44 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 2j4b h ASP 35 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2j4b h ASP 35 CO 0.71 0.00 -0.20 0.25 -1.72 0.00 0.00 179.24 178.28 2j4b h LEU 36 N 0.00 0.00 -1.71 1.55 5.85 -2.01 -3.06 115.31 115.93 2j4b h LEU 36 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2j4b h LEU 36 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2j4b h LEU 36 CO -0.00 0.20 0.00 0.49 -0.34 0.00 0.00 178.44 178.79 2j4b n PHE 37 N -4.16 0.07 -0.18 1.25 3.72 -0.29 -4.51 117.46 113.36 2j4b n PHE 37 Ca -0.02 -0.06 -0.08 0.00 -0.05 0.00 0.00 57.45 57.23 2j4b n PHE 37 Cb 0.27 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.86 2j4b n PHE 37 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2j4b h LYS 38 N 2.80 1.00 -0.86 -1.08 1.57 -1.52 -2.56 116.57 115.92 2j4b h LYS 38 Ca 0.00 -0.33 0.18 0.00 -1.87 0.00 0.00 60.65 58.62 2j4b h LYS 38 Cb 0.62 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.74 2j4b h LYS 38 CO 0.00 1.01 0.41 -0.91 -0.57 0.00 0.00 179.45 179.39 2j4b h ASN 39 N 0.90 0.43 1.02 0.86 2.35 -1.79 -0.27 115.58 119.08 2j4b h ASN 39 Ca 0.15 0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.83 2j4b h ASN 39 Cb 0.59 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 2j4b h ASN 39 CO 0.04 0.12 -1.02 0.44 -1.65 0.00 0.00 177.43 175.36 2j4b h ASP 40 N 0.52 0.00 0.09 5.81 3.32 -1.86 -3.39 116.42 120.91 2j4b h ASP 40 Ca 0.50 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.29 2j4b h ASP 40 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2j4b h ASP 40 CO -0.43 0.84 -1.33 -0.07 -1.72 0.00 0.00 179.24 176.52 2j4b h LEU 41 N 0.00 0.30 -0.84 1.55 3.38 -0.92 -3.39 115.31 115.39 2j4b h LEU 41 Ca -0.06 -0.82 0.17 0.00 0.09 0.00 0.00 57.88 57.26 2j4b h LEU 41 Cb 1.70 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 42.24 2j4b h LEU 41 CO 0.10 1.58 0.39 -0.07 0.09 0.00 0.00 178.44 180.52 2j4b h LEU 42 N -0.43 0.39 -1.67 1.67 3.38 -1.29 -1.49 115.31 115.88 2j4b h LEU 42 Ca -0.30 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2j4b h LEU 42 Cb 1.66 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2j4b h LEU 42 CO 0.02 0.12 0.33 -0.65 0.09 0.00 0.00 178.44 178.34 2j4b h PRO 43 N 0.50 0.00 0.00 1.13 0.11 -1.76 -0.71 132.00 131.28 2j4b h PRO 43 Ca 0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.54 2j4b h PRO 43 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2j4b h PRO 43 CO -0.43 0.00 -0.27 1.25 -0.21 0.00 0.00 178.00 178.34 2j4b h LEU 44 N 0.00 0.00 -0.38 2.35 5.85 -1.51 -3.32 115.31 118.30 2j4b h LEU 44 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2j4b h LEU 44 Cb 0.65 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2j4b h LEU 44 CO 0.00 0.27 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.19 2j4b h LEU 45 N 0.00 0.75 0.58 2.25 3.38 -1.30 -3.11 115.31 117.86 2j4b h LEU 45 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2j4b h LEU 45 Cb 0.85 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2j4b h LEU 45 CO 0.03 0.95 -0.48 0.22 0.09 0.00 0.00 178.44 179.26 2j4b h TYR 46 N 0.55 -1.31 -0.58 1.13 3.20 -1.75 0.24 116.97 118.44 2j4b h TYR 46 Ca 0.09 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2j4b h TYR 46 Cb 0.63 0.50 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 2j4b h TYR 46 CO 0.05 -0.67 0.15 -1.00 -1.64 0.00 0.00 178.16 175.05 2j4b h PRO 47 N -1.03 0.28 -0.07 1.82 0.13 -1.75 -1.33 132.00 130.05 2j4b h PRO 47 Ca -0.07 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2j4b h PRO 47 Cb 0.88 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2j4b h PRO 47 CO -0.01 0.19 -0.05 1.25 -0.23 0.00 0.00 178.00 179.15 2j4b h LEU 48 N 0.29 -0.15 -0.73 1.56 5.85 -1.42 -0.01 115.31 120.70 2j4b h LEU 48 Ca 0.30 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.21 2j4b h LEU 48 Cb 0.42 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 2j4b h LEU 48 CO -0.36 -0.07 -0.03 0.15 -0.34 0.00 0.00 178.44 177.79 2j4b h PHE 49 N -0.05 -0.12 -0.42 1.25 3.57 -0.16 0.11 116.94 121.13 2j4b h PHE 49 Ca 0.04 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 2j4b h PHE 49 Cb 0.12 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2j4b h PHE 49 CO -0.15 -0.25 -0.18 0.82 -2.23 0.00 0.00 178.31 176.32 2j4b h ILE 50 N 0.08 1.28 -0.52 1.41 1.08 -0.36 -1.80 117.51 118.68 2j4b h ILE 50 Ca 0.39 -1.31 -0.11 0.00 -0.39 0.00 0.00 64.86 63.43 2j4b h ILE 50 Cb 0.66 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 2j4b h ILE 50 CO -0.66 0.44 -0.13 0.45 -0.69 0.00 0.00 178.15 177.56 2j4b h HIS 51 N 0.68 1.11 -0.24 1.37 3.86 -0.33 0.28 115.15 121.88 2j4b h HIS 51 Ca 0.10 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2j4b h HIS 51 Cb 0.73 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2j4b h HIS 51 CO 0.06 1.04 0.15 0.82 0.86 0.00 0.00 177.93 180.85 2j4b h ILE 52 N 0.88 1.09 -0.04 2.45 2.04 -0.81 0.14 117.51 123.25 2j4b h ILE 52 Ca 0.13 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.83 2j4b h ILE 52 Cb 0.69 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 2j4b h ILE 52 CO 0.05 0.08 -0.24 0.22 0.00 0.00 0.00 178.15 178.26 2j4b h TYR 53 N 0.30 -0.65 -0.24 1.37 3.20 -0.79 -0.62 116.97 119.55 2j4b h TYR 53 Ca 0.09 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2j4b h TYR 53 Cb 0.01 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2j4b h TYR 53 CO -0.05 -0.33 -0.10 0.74 -1.64 0.00 0.00 178.16 176.78 2j4b h PHE 54 N -0.36 0.40 -0.22 -3.82 -1.00 -0.39 -2.27 116.94 109.27 2j4b h PHE 54 Ca 0.07 -0.05 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 2j4b h PHE 54 Cb 0.46 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 2j4b h PHE 54 CO -0.30 0.48 -0.30 -0.44 -1.61 0.00 0.00 178.31 176.14 2j4b h ASP 55 N 0.36 0.65 -0.44 2.17 3.32 -0.22 -0.25 116.42 122.01 2j4b h ASP 55 Ca 0.07 -0.51 0.09 0.00 0.02 0.00 0.00 57.03 56.71 2j4b h ASP 55 Cb 0.40 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.68 2j4b h ASP 55 CO 0.02 1.03 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.37 2j4b h LEU 56 N 0.29 -0.47 -0.71 1.55 3.38 -1.02 -1.75 115.31 116.58 2j4b h LEU 56 Ca 0.03 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2j4b h LEU 56 Cb 0.88 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2j4b h LEU 56 CO 0.07 -0.17 0.46 0.40 0.09 0.00 0.00 178.44 179.29 2j4b h ILE 57 N -0.03 1.12 0.00 1.22 2.04 -1.14 -0.99 117.51 119.74 2j4b h ILE 57 Ca 0.21 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2j4b h ILE 57 Cb 0.35 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2j4b h ILE 57 CO -0.47 0.16 -0.11 -0.61 0.00 0.00 0.00 178.15 177.13 2j4b h GLN 58 N 0.90 0.00 -0.14 2.37 4.15 -0.59 0.87 115.11 122.67 2j4b h GLN 58 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 2j4b h GLN 58 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2j4b h GLN 58 CO -0.09 0.11 0.00 1.04 -1.93 0.00 0.00 178.83 177.95 2j4b n GLN 59 N -3.87 1.68 -1.74 1.69 6.02 -0.43 -4.91 117.38 115.82 2j4b n GLN 59 Ca -0.02 -1.02 -0.15 0.00 -0.01 0.00 0.00 57.00 55.80 2j4b n GLN 59 Cb 0.20 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 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 0.24 -4.64 -4.26 1.08 3.02 0.30 -4.93 115.26 106.08 2j4b n ASN 60 Ca 0.16 0.22 -0.44 0.00 -0.03 0.00 0.00 54.58 54.50 2j4b n ASN 60 Cb 0.32 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 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 -2.51 3.60 -0.01 3.52 5.02 -0.87 -4.87 118.16 122.03 2j4b n LYS 61 Ca -0.16 -4.01 -0.13 0.00 -2.02 0.00 0.00 58.31 52.00 2j4b n LYS 61 Cb 0.54 -2.84 -0.08 0.00 -0.02 0.00 0.00 35.03 32.62 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 4.08 1.29 0.16 -0.18 2.02 -1.89 -1.38 112.91 117.00 2j4b h THR 62 Ca 0.29 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.61 2j4b h THR 62 Cb 0.79 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 2j4b h THR 62 CO 1.29 0.24 -0.36 0.44 0.37 0.00 0.00 175.52 177.50 2j4b h ASP 63 N -0.26 -1.02 -0.90 4.18 3.32 -1.96 -1.20 116.42 118.58 2j4b h ASP 63 Ca 0.01 0.11 0.18 0.00 0.02 0.00 0.00 57.03 57.35 2j4b h ASP 63 Cb 0.38 0.38 -0.11 0.00 0.22 0.00 0.00 39.33 40.21 2j4b h ASP 63 CO 0.00 -0.45 0.46 -0.33 -1.72 0.00 0.00 179.24 177.21 2j4b h GLU 64 N -0.61 0.57 0.33 3.56 5.08 -1.96 0.10 114.58 121.65 2j4b h GLU 64 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2j4b h GLU 64 Cb 0.62 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2j4b h GLU 64 CO -0.19 0.37 -0.23 0.00 -1.00 0.00 0.00 179.01 177.97 2j4b h ALA 65 N 1.62 -0.54 -0.86 3.43 0.00 -0.30 -1.35 119.26 121.27 2j4b h ALA 65 Ca 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 2j4b h ALA 65 Cb 0.84 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2j4b h ALA 65 CO -0.42 -0.82 0.41 0.87 0.00 0.00 0.00 179.25 179.30 2j4b h LYS 66 N -0.55 1.23 0.11 0.00 1.57 -0.24 -0.55 116.57 118.15 2j4b h LYS 66 Ca -0.03 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2j4b h LYS 66 Cb 0.46 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2j4b h LYS 66 CO 0.02 0.94 -0.05 0.93 -0.57 0.00 0.00 179.45 180.72 2j4b h GLU 67 N 1.22 -0.14 -0.71 3.15 5.08 -0.71 -1.51 114.58 120.95 2j4b h GLU 67 Ca 0.30 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.73 2j4b h GLU 67 Cb 0.12 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2j4b h GLU 67 CO -0.04 -0.07 0.40 0.35 -1.00 0.00 0.00 179.01 178.65 2j4b h PHE 68 N -0.18 0.72 -0.29 4.33 3.57 -0.89 -1.95 116.94 122.25 2j4b h PHE 68 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2j4b h PHE 68 Cb 0.14 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2j4b h PHE 68 CO -0.06 0.34 0.17 0.35 -2.23 0.00 0.00 178.31 176.88 2j4b h PHE 69 N 0.72 0.39 -0.42 0.41 3.04 -0.86 -2.80 116.94 117.41 2j4b h PHE 69 Ca 0.32 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.17 2j4b h PHE 69 Cb 0.22 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 2j4b h PHE 69 CO -0.08 0.29 -0.13 1.49 -2.02 0.00 0.00 178.31 177.87 2j4b h GLU 70 N 0.37 0.76 0.00 1.11 4.57 -1.09 -0.93 114.58 119.37 2j4b h GLU 70 Ca 0.10 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 2j4b h GLU 70 Cb 0.02 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2j4b h GLU 70 CO -0.02 0.86 -0.27 -0.22 -1.18 0.00 0.00 179.01 178.18 2j4b h LYS 71 N 0.69 0.00 0.00 1.92 3.64 -1.17 -3.35 116.57 118.29 2j4b h LYS 71 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2j4b h LYS 71 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2j4b h LYS 71 CO 0.04 0.27 0.00 0.66 -2.27 0.00 0.00 179.45 178.15 2j4b n TYR 72 N -3.35 0.00 0.25 1.91 4.01 -1.07 -4.75 117.16 114.15 2j4b n TYR 72 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 2j4b n TYR 72 Cb 0.49 0.00 0.63 0.00 -0.31 0.00 0.00 39.34 40.15 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 -1.31 -0.31 114.38 112.15 2j4b h ARG 73 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2j4b h ARG 73 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2j4b h ARG 73 CO 0.00 0.07 0.00 0.78 0.10 0.00 0.00 179.97 180.92 2j4b h GLY 74 N 0.22 0.00 2.00 0.08 0.00 -1.84 -2.17 103.07 101.35 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 -0.71 0.19 3.32 -1.38 -3.24 116.42 114.60 2j4b h ASP 75 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2j4b h ASP 75 Cb 0.38 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.50 2j4b h ASP 75 CO 0.00 0.00 -0.89 1.41 -1.72 0.00 0.00 179.24 178.04 2j4b n HIS 76 N -2.51 2.39 0.28 4.55 8.25 -0.82 -4.81 115.22 122.56 2j4b n HIS 76 Ca 0.01 -2.25 0.15 0.00 -0.26 0.00 0.00 57.72 55.37 2j4b n HIS 76 Cb 0.22 -0.30 0.85 0.00 1.12 0.00 0.00 29.99 31.88 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 2.31 0.00 0.00 4.41 -0.00 -1.65 0.13 116.97 122.17 2j4b h TYR 77 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.97 2j4b h TYR 77 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.17 2j4b h TYR 77 CO 0.76 0.06 0.00 0.27 -0.00 0.00 0.00 178.16 179.25 2j4b n ASN 78 N -3.65 0.00 -2.37 0.10 6.94 -1.26 -2.41 115.26 112.61 2j4b n ASN 78 Ca -0.02 0.44 -0.11 0.00 -0.02 0.00 0.00 54.58 54.87 2j4b n ASN 78 Cb 0.16 -0.45 0.04 0.00 -2.36 0.00 0.00 39.78 37.17 2j4b n ASN 78 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2j4b n LYS 79 N -1.45 2.55 0.24 -3.83 5.02 0.44 -4.92 118.16 116.21 2j4b n LYS 79 Ca 0.01 -3.77 0.09 0.00 -2.02 0.00 0.00 58.31 52.61 2j4b n LYS 79 Cb 0.02 -1.88 0.61 0.00 -0.02 0.00 0.00 35.03 33.77 2j4b n LYS 79 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2j4b h SER 80 N 2.33 0.00 0.42 4.39 4.64 -1.55 -2.32 113.55 121.46 2j4b h SER 80 Ca 0.10 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2j4b h SER 80 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2j4b h SER 80 CO 0.44 0.15 -0.20 -0.33 -0.87 0.00 0.00 176.83 176.02 2j4b h GLU 81 N 0.00 -0.54 -0.85 4.77 3.07 -1.91 -2.43 114.58 116.69 2j4b h GLU 81 Ca -0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2j4b h GLU 81 Cb 0.31 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2j4b h GLU 81 CO 0.02 -0.24 0.54 0.93 -1.40 0.00 0.00 179.01 178.85 2j4b h GLU 82 N -0.86 1.13 -0.56 2.33 5.08 -1.94 -2.51 114.58 117.26 2j4b h GLU 82 Ca -0.06 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2j4b h GLU 82 Cb 0.55 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2j4b h GLU 82 CO 0.09 0.77 0.34 0.82 -1.00 0.00 0.00 179.01 180.04 2j4b h ILE 83 N 1.16 1.17 -0.43 3.13 1.08 -1.42 -1.43 117.51 120.76 2j4b h ILE 83 Ca 0.31 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2j4b h ILE 83 Cb -0.09 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 2j4b h ILE 83 CO -0.06 0.17 0.29 0.50 -0.69 0.00 0.00 178.15 178.35 2j4b h LYS 84 N 0.76 0.56 0.26 2.37 3.64 -1.01 -1.54 116.57 121.61 2j4b h LYS 84 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2j4b h LYS 84 Cb -0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2j4b h LYS 84 CO -0.04 0.37 -0.18 1.96 -2.27 0.00 0.00 179.45 179.28 2j4b h GLN 85 N 0.57 -0.43 0.00 1.90 4.20 -0.97 -3.23 115.11 117.15 2j4b h GLN 85 Ca 0.16 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2j4b h GLN 85 Cb -0.05 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2j4b h GLN 85 CO -0.04 -0.29 -0.21 0.74 -0.67 0.00 0.00 178.83 178.37 2j4b h PHE 86 N -0.45 0.00 0.00 2.96 0.04 -0.41 -3.27 116.94 115.81 2j4b h PHE 86 Ca -0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 2j4b h PHE 86 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2j4b h PHE 86 CO -0.11 0.21 -0.00 1.05 -0.60 0.00 0.00 178.31 178.86 2j4b h GLU 87 N 0.00 0.00 -0.10 1.51 4.11 -1.33 -1.43 114.58 117.34 2j4b h GLU 87 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2j4b h GLU 87 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2j4b h GLU 87 CO 0.03 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.98 2j4b n SER 88 N -3.84 3.00 -4.54 3.06 3.41 -1.23 -4.77 113.62 108.71 2j4b n SER 88 Ca -0.03 -1.97 -0.43 0.00 -0.26 0.00 0.00 58.87 56.18 2j4b n SER 88 Cb 0.08 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.90 4.47 -0.11 -1.33 -1.09 -0.54 -4.88 121.20 115.81 2j4b s ILE 89 Ca 0.31 0.47 0.07 0.00 -2.23 0.00 0.00 60.65 59.27 2j4b s ILE 89 Cb 0.21 -4.46 -0.10 0.00 -1.58 0.00 0.00 42.46 36.53 2j4b s ILE 89 CO 0.30 -0.94 0.19 -1.22 -1.23 0.00 0.00 174.94 172.05 2j4b n TYR 90 N 7.21 0.00 -4.21 3.97 4.01 -1.26 -5.02 117.16 121.86 2j4b n TYR 90 Ca 0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.63 2j4b n TYR 90 Cb 0.48 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.20 0.00 0.19 -0.72 -4.23 -1.26 -4.86 115.64 102.56 2j4b s THR 91 Ca -0.01 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 2j4b s THR 91 Cb 0.05 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.49 2j4b s THR 91 CO 0.28 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.63 2j4b h VAL 92 N 2.40 1.26 -0.02 2.29 2.07 -1.97 -2.66 116.25 119.63 2j4b h VAL 92 Ca -0.31 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 2j4b h VAL 92 Cb 1.24 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2j4b h VAL 92 CO 0.45 0.39 -0.35 -0.61 0.02 0.00 0.00 177.57 177.47 2j4b h GLN 93 N 1.04 0.04 -0.64 1.57 5.75 -1.98 -2.61 115.11 118.28 2j4b h GLN 93 Ca 0.21 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 2j4b h GLN 93 Cb 0.43 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2j4b h GLN 93 CO 0.01 0.39 0.10 0.45 -2.65 0.00 0.00 178.83 177.12 2j4b h HIS 94 N 0.03 1.11 -0.54 3.99 3.86 -1.88 -0.63 115.15 121.09 2j4b h HIS 94 Ca 0.00 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 2j4b h HIS 94 Cb 0.64 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2j4b h HIS 94 CO 0.00 0.94 0.15 0.82 0.86 0.00 0.00 177.93 180.70 2j4b h ILE 95 N 0.98 1.24 -0.29 2.45 2.04 -1.20 -2.68 117.51 120.06 2j4b h ILE 95 Ca 0.19 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 65.11 2j4b h ILE 95 Cb 0.43 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2j4b h ILE 95 CO 0.01 0.31 -0.28 0.45 0.00 0.00 0.00 178.15 178.64 2j4b h HIS 96 N 0.76 0.67 0.00 1.37 3.86 -1.27 -2.86 115.15 117.68 2j4b h HIS 96 Ca 0.17 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 2j4b h HIS 96 Cb 0.31 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2j4b h HIS 96 CO 0.02 0.81 -0.58 0.93 0.86 0.00 0.00 177.93 179.97 2j4b h GLU 97 N 0.51 0.00 -4.76 2.45 5.08 -0.91 -3.43 114.58 113.52 2j4b h GLU 97 Ca 0.07 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.74 2j4b h GLU 97 Cb 0.75 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.72 2j4b h GLU 97 CO 0.06 0.58 -0.62 -0.80 -1.00 0.00 0.00 179.01 177.23 2j4b s ASN 98 N -6.66 5.15 0.24 1.42 0.01 -1.03 -5.01 114.94 109.07 2j4b s ASN 98 Ca -0.00 -0.88 -0.06 0.00 -0.71 0.00 0.00 52.86 51.21 2j4b s ASN 98 Cb 0.11 -1.86 0.29 0.00 0.41 0.00 0.00 41.25 40.20 2j4b s ASN 98 CO 0.74 -0.24 1.88 0.78 -1.51 0.00 0.00 177.10 178.76 2j4b h ASN 99 N 8.22 0.96 -0.60 -1.22 4.21 -1.83 -0.78 115.58 124.53 2j4b h ASN 99 Ca -0.28 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 2j4b h ASN 99 Cb 1.11 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 38.07 2j4b h ASN 99 CO 0.60 0.65 0.37 2.19 -1.29 0.00 0.00 177.43 179.95 2j4b h PHE 100 N 1.11 0.79 -0.01 1.19 -5.15 -1.95 0.18 116.94 113.11 2j4b h PHE 100 Ca 0.36 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.13 2j4b h PHE 100 Cb 0.03 -0.26 0.00 0.00 0.22 0.00 0.00 35.95 35.94 2j4b h PHE 100 CO -0.02 0.52 -0.03 0.00 -2.00 0.00 0.00 178.31 176.78 2j4b h ALA 101 N 1.57 0.01 -0.38 12.09 0.00 -1.67 -2.62 119.26 128.27 2j4b h ALA 101 Ca 0.22 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2j4b h ALA 101 Cb -0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2j4b h ALA 101 CO -0.04 -0.13 -0.01 -0.92 0.00 0.00 0.00 179.25 178.15 2j4b h TYR 102 N -0.62 -0.04 0.00 0.00 3.20 -0.90 -1.54 116.97 117.07 2j4b h TYR 102 Ca -0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2j4b h TYR 102 Cb 0.70 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2j4b h TYR 102 CO 0.16 -0.08 -0.52 1.79 -1.64 0.00 0.00 178.16 177.86 2j4b h THR 103 N 0.09 1.33 -0.44 1.81 1.35 -0.72 -1.18 112.91 115.16 2j4b h THR 103 Ca 0.19 -1.81 -0.07 0.00 -0.55 0.00 0.00 66.41 64.17 2j4b h THR 103 Cb 0.27 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 2j4b h THR 103 CO -0.32 0.51 -0.01 0.15 -0.25 0.00 0.00 175.52 175.60 2j4b h PHE 104 N 0.00 0.75 0.00 4.73 3.04 -1.04 0.40 116.94 124.82 2j4b h PHE 104 Ca -0.01 -0.10 -0.07 0.00 3.98 0.00 0.00 57.97 61.77 2j4b h PHE 104 Cb 0.94 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 2j4b h PHE 104 CO 0.00 0.71 -0.37 -0.22 -2.02 0.00 0.00 178.31 176.42 2j4b h LYS 105 N 0.67 0.00 -0.00 1.11 3.64 -0.59 -3.36 116.57 118.03 2j4b h LYS 105 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2j4b h LYS 105 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2j4b h LYS 105 CO 0.02 0.34 -0.06 0.09 -2.27 0.00 0.00 179.45 177.57 2j4b n ASN 106 N -3.18 0.98 -4.44 4.20 3.02 -0.51 -5.04 115.26 110.29 2j4b n ASN 106 Ca 0.02 -0.99 -0.24 0.00 -0.03 0.00 0.00 54.58 53.34 2j4b n ASN 106 Cb 0.67 0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 40.06 2j4b n ASN 106 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2j4b s SER 107 N -0.67 3.42 0.37 6.41 1.04 0.14 -5.03 113.70 119.38 2j4b s SER 107 Ca 0.04 -0.97 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 2j4b s SER 107 Cb 0.03 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.80 2j4b s SER 107 CO 0.09 0.05 1.13 -0.54 0.98 0.00 0.00 173.24 174.95 2j4b s LYS 108 N -3.21 4.20 -0.21 4.02 -0.14 -1.26 -4.77 119.74 118.36 2j4b s LYS 108 Ca 0.26 1.77 -0.08 0.00 -1.36 0.00 0.00 55.97 56.56 2j4b s LYS 108 Cb -0.06 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 2j4b s LYS 108 CO 0.12 -0.17 0.08 -0.47 -0.76 0.00 0.00 175.35 174.15 2j4b s TYR 109 N -1.41 3.21 -0.01 3.18 6.14 -0.77 -4.92 117.35 122.76 2j4b s TYR 109 Ca 0.55 -0.04 -0.17 0.00 0.64 0.00 0.00 57.07 58.04 2j4b s TYR 109 Cb -0.29 -2.16 -0.06 0.00 0.42 0.00 0.00 41.96 39.87 2j4b s TYR 109 CO 0.37 -0.01 0.49 -1.01 0.64 0.00 0.00 175.55 176.03 2j4b s HIS 110 N 0.86 3.69 0.09 4.97 3.76 -1.26 -1.27 115.29 126.14 2j4b s HIS 110 Ca 0.04 1.07 0.03 0.00 -0.15 0.00 0.00 55.06 56.05 2j4b s HIS 110 Cb -0.14 -2.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 2j4b s HIS 110 CO 0.03 0.48 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.80 2j4b s LEU 111 N -0.57 2.42 -0.05 0.89 1.43 0.02 -4.94 118.68 117.88 2j4b s LEU 111 Ca 0.26 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2j4b s LEU 111 Cb -0.17 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 2j4b s LEU 111 CO 0.15 -0.33 -0.20 -0.94 0.23 0.00 0.00 176.35 175.26 2j4b s SER 112 N -2.53 2.44 0.02 2.29 1.04 -1.26 0.02 113.70 115.71 2j4b s SER 112 Ca 0.05 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2j4b s SER 112 Cb -0.01 -0.66 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 2j4b s SER 112 CO -0.02 0.18 -0.03 -0.04 0.98 0.00 0.00 173.24 174.31 2j4b s MET 113 N -0.05 0.31 0.47 4.02 -1.94 -0.14 -4.82 119.30 117.15 2j4b s MET 113 Ca -0.03 -0.57 -0.24 0.00 -1.71 0.00 0.00 55.69 53.14 2j4b s MET 113 Cb -0.12 0.05 -0.07 0.00 2.01 0.00 0.00 34.83 36.70 2j4b s MET 113 CO 0.02 -0.03 1.29 0.20 -0.01 0.00 0.00 175.02 176.49 2j4b s GLY 114 N -1.33 2.87 0.36 -0.03 0.00 -1.26 -0.76 107.32 107.17 2j4b s GLY 114 Ca -0.14 1.20 0.13 0.00 0.00 0.00 0.00 44.72 45.91 2j4b s GLY 114 CO -0.01 1.73 1.79 -0.09 0.00 0.00 0.00 173.10 176.52 2j4b h ARG 115 N 2.09 0.54 -0.20 2.90 9.65 -1.60 -0.99 114.38 126.77 2j4b h ARG 115 Ca -0.50 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.19 2j4b h ARG 115 Cb 1.26 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2j4b h ARG 115 CO 0.60 0.36 -0.50 -0.92 2.80 0.00 0.00 179.97 182.31 2j4b h TYR 116 N 0.56 0.89 -0.73 2.20 3.20 -1.92 -1.87 116.97 119.30 2j4b h TYR 116 Ca 0.56 -0.34 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2j4b h TYR 116 Cb 1.16 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2j4b h TYR 116 CO -0.00 1.13 0.41 0.00 -1.64 0.00 0.00 178.16 178.06 2j4b h ALA 117 N 0.59 0.93 -0.19 1.82 0.00 -1.86 -2.55 119.26 118.00 2j4b h ALA 117 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2j4b h ALA 117 Cb 1.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2j4b h ALA 117 CO 0.11 0.42 0.10 0.35 0.00 0.00 0.00 179.25 180.23 2j4b h PHE 118 N 1.00 0.27 -0.58 0.00 3.57 -0.94 -0.48 116.94 119.77 2j4b h PHE 118 Ca 0.26 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 2j4b h PHE 118 Cb 0.01 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2j4b h PHE 118 CO -0.01 0.26 0.35 -0.44 -2.23 0.00 0.00 178.31 176.24 2j4b h ASP 119 N 0.20 0.70 -0.24 0.41 3.32 -1.34 -1.25 116.42 118.22 2j4b h ASP 119 Ca 0.07 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.12 2j4b h ASP 119 Cb 0.08 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 2j4b h ASP 119 CO -0.01 0.56 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.74 2j4b h LEU 120 N 0.79 -0.81 0.47 1.55 3.38 -1.15 0.06 115.31 119.60 2j4b h LEU 120 Ca 0.21 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2j4b h LEU 120 Cb -0.01 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2j4b h LEU 120 CO -0.04 -0.29 -0.42 0.25 0.09 0.00 0.00 178.44 178.03 2j4b h LEU 121 N -0.26 -1.13 -0.40 1.67 5.85 -0.53 -0.12 115.31 120.38 2j4b h LEU 121 Ca 0.13 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2j4b h LEU 121 Cb 0.47 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2j4b h LEU 121 CO -0.39 -0.59 0.23 0.40 -0.34 0.00 0.00 178.44 177.74 2j4b h ILE 122 N -0.90 1.15 -0.27 4.05 1.08 -1.24 0.24 117.51 121.62 2j4b h ILE 122 Ca -0.05 -0.38 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 2j4b h ILE 122 Cb 0.78 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 35.12 2j4b h ILE 122 CO -0.03 0.15 -0.21 0.78 -0.69 0.00 0.00 178.15 178.15 2j4b h ASN 123 N 0.52 -0.69 -0.68 1.72 2.35 -0.73 0.16 115.58 118.24 2j4b h ASN 123 Ca 0.14 0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 2j4b h ASN 123 Cb 0.05 0.34 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 2j4b h ASN 123 CO -0.02 -0.25 0.39 0.15 -1.65 0.00 0.00 177.43 176.04 2j4b h PHE 124 N -0.20 0.91 -0.58 1.19 3.57 -0.53 0.27 116.94 121.57 2j4b h PHE 124 Ca 0.15 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2j4b h PHE 124 Cb 0.43 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2j4b h PHE 124 CO -0.39 0.64 0.08 -0.07 -2.23 0.00 0.00 178.31 176.34 2j4b h LEU 125 N 0.92 0.89 -0.33 0.59 3.38 -0.15 -2.04 115.31 118.58 2j4b h LEU 125 Ca 0.24 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2j4b h LEU 125 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2j4b h LEU 125 CO -0.04 0.90 -0.83 -0.33 0.09 0.00 0.00 178.44 178.24 2j4b h GLU 126 N 0.88 0.29 -0.30 1.13 5.08 -0.35 -1.31 114.58 120.00 2j4b h GLU 126 Ca 0.18 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2j4b h GLU 126 Cb 0.41 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2j4b h GLU 126 CO 0.01 0.96 0.08 0.93 -1.00 0.00 0.00 179.01 179.99 2j4b h GLU 127 N 0.18 0.47 -0.55 2.33 5.08 -0.83 -3.02 114.58 118.23 2j4b h GLU 127 Ca -0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2j4b h GLU 127 Cb 1.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2j4b h GLU 127 CO 0.13 0.55 0.00 0.54 -1.00 0.00 0.00 179.01 179.23 2j4b n ARG 128 N -4.68 2.10 -4.28 2.33 5.12 -0.78 -4.92 116.66 111.56 2j4b n ARG 128 Ca -0.02 -1.15 -0.36 0.00 -1.93 0.00 0.00 57.85 54.39 2j4b n ARG 128 Cb 0.18 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.93 2j4b n ARG 128 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2j4b n ASN 129 N 0.30 -2.31 -4.04 0.55 5.03 -1.06 -4.82 115.26 108.92 2j4b n ASN 129 Ca 0.10 -1.09 -0.43 0.00 0.87 0.00 0.00 54.58 54.04 2j4b n ASN 129 Cb 0.43 -2.43 0.00 0.00 -1.02 0.00 0.00 39.78 36.76 2j4b n ASN 129 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2j4b n LEU 130 N -4.33 6.21 0.11 3.41 4.77 -0.52 -4.75 117.00 121.90 2j4b n LEU 130 Ca 0.01 -4.34 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 2j4b n LEU 130 Cb 0.52 -1.60 0.30 0.00 -2.33 0.00 0.00 43.42 40.31 2j4b n LEU 130 CO 0.87 0.99 0.75 0.71 -1.33 0.00 0.00 177.39 179.38 2j4b h THR 131 N 4.27 1.25 -0.29 -5.08 1.35 -1.87 -2.26 112.91 110.27 2j4b h THR 131 Ca 0.45 -1.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.06 2j4b h THR 131 Cb 0.71 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 2j4b h THR 131 CO 1.62 0.36 -0.01 0.22 -0.25 0.00 0.00 175.52 177.47 2j4b h TYR 132 N 0.19 0.56 -0.65 4.73 3.20 -1.98 -0.71 116.97 122.31 2j4b h TYR 132 Ca 0.03 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 2j4b h TYR 132 Cb 0.62 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2j4b h TYR 132 CO 0.01 0.66 0.18 0.82 -1.64 0.00 0.00 178.16 178.19 2j4b h ILE 133 N 0.30 1.25 0.00 1.81 2.04 -1.92 -1.82 117.51 119.17 2j4b h ILE 133 Ca 0.08 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2j4b h ILE 133 Cb 0.44 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2j4b h ILE 133 CO 0.02 0.33 -0.14 -0.07 0.00 0.00 0.00 178.15 178.29 2j4b h LEU 134 N 0.96 0.00 -0.18 1.44 3.38 -1.17 -1.86 115.31 117.88 2j4b h LEU 134 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2j4b h LEU 134 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2j4b h LEU 134 CO -0.00 0.14 -0.17 0.50 0.09 0.00 0.00 178.44 179.00 2j4b h LYS 135 N 0.00 0.43 -0.47 1.13 3.64 -0.31 -2.82 116.57 118.16 2j4b h LYS 135 Ca -0.00 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2j4b h LYS 135 Cb 0.30 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2j4b h LYS 135 CO 0.02 0.78 0.18 0.82 -2.27 0.00 0.00 179.45 178.98 2j4b h ILE 136 N 0.08 1.21 0.42 2.00 1.08 -1.03 0.24 117.51 121.52 2j4b h ILE 136 Ca 0.03 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 2j4b h ILE 136 Cb 0.70 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 2j4b h ILE 136 CO 0.04 0.25 -0.43 -0.07 -0.69 0.00 0.00 178.15 177.25 2j4b h LEU 137 N 0.62 -1.17 -0.84 1.44 4.07 -1.41 0.30 115.31 118.33 2j4b h LEU 137 Ca 0.16 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 2j4b h LEU 137 Cb 0.21 0.39 -0.04 0.00 1.08 0.00 0.00 40.66 42.30 2j4b h LEU 137 CO -0.01 -0.58 0.41 0.78 -1.08 0.00 0.00 178.44 177.96 2j4b h ASN 138 N -0.87 1.09 0.64 -0.43 2.35 -1.27 0.36 115.58 117.45 2j4b h ASN 138 Ca -0.04 -0.13 -0.27 0.00 -0.55 0.00 0.00 56.30 55.31 2j4b h ASN 138 Cb 0.77 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2j4b h ASN 138 CO -0.07 0.91 -1.41 1.56 -1.65 0.00 0.00 177.43 176.77 2j4b h GLN 139 N 1.18 0.09 0.00 0.81 4.20 -0.53 -3.42 115.11 117.45 2j4b h GLN 139 Ca 0.29 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2j4b h GLN 139 Cb 0.10 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2j4b h GLN 139 CO -0.04 0.90 0.00 0.72 -0.67 0.00 0.00 178.83 179.74 2j4b n HIS 140 N -3.30 0.00 -5.20 2.96 8.25 0.10 -4.93 115.22 113.10 2j4b n HIS 140 Ca -0.11 -0.06 -0.31 0.00 -0.26 0.00 0.00 57.72 56.97 2j4b n HIS 140 Cb 1.01 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.96 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 -0.13 2.16 -0.36 2.41 1.43 0.11 -1.85 118.68 122.45 2j4b s LEU 141 Ca 0.00 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2j4b s LEU 141 Cb 0.00 -1.36 0.10 0.00 0.03 0.00 0.00 46.19 44.96 2j4b s LEU 141 CO 0.00 0.32 0.08 -0.62 0.23 0.00 0.00 176.35 176.36 2j4b s ASP 142 N -0.71 4.61 -0.26 2.29 -1.08 -0.39 -4.68 116.67 116.45 2j4b s ASP 142 Ca 0.10 -2.22 -0.09 0.00 -0.52 0.00 0.00 52.55 49.82 2j4b s ASP 142 Cb -0.10 -1.54 -0.04 0.00 -1.46 0.00 0.00 42.92 39.78 2j4b s ASP 142 CO -0.00 -0.36 0.13 -0.63 0.52 0.00 0.00 175.17 174.83 2j4b s ILE 143 N 0.82 4.85 -0.48 4.11 1.01 -1.26 -0.80 121.20 129.44 2j4b s ILE 143 Ca 0.12 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 2j4b s ILE 143 Cb -0.20 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.01 2j4b s ILE 143 CO -0.09 0.30 0.95 -0.75 0.00 0.00 0.00 174.94 175.35 2j4b s LYS 144 N 1.66 3.51 -0.31 2.79 2.20 0.10 -4.96 119.74 124.73 2j4b s LYS 144 Ca 0.07 0.12 -0.18 0.00 -0.36 0.00 0.00 55.97 55.61 2j4b s LYS 144 Cb -0.15 -3.95 -0.01 0.00 -1.51 0.00 0.00 37.83 32.20 2j4b s LYS 144 CO 0.07 -1.30 0.53 0.08 -0.36 0.00 0.00 175.35 174.38 2j4b s VAL 145 N 3.89 5.02 -0.14 4.02 1.01 -1.26 -0.97 120.40 131.97 2j4b s VAL 145 Ca 0.37 0.64 -0.22 0.00 0.00 0.00 0.00 61.98 62.77 2j4b s VAL 145 Cb -0.10 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2j4b s VAL 145 CO 0.26 -0.08 0.66 -0.47 0.00 0.00 0.00 175.10 175.46 2j4b s TYR 146 N 2.40 3.46 -0.18 5.22 6.14 0.06 -4.88 117.35 129.57 2j4b s TYR 146 Ca 0.21 1.07 -0.05 0.00 0.64 0.00 0.00 57.07 58.93 2j4b s TYR 146 Cb -0.15 -2.80 -0.03 0.00 0.42 0.00 0.00 41.96 39.40 2j4b s TYR 146 CO 0.12 -0.05 0.00 0.14 0.64 0.00 0.00 175.55 176.39 2j4b s VAL 147 N 1.42 4.14 0.00 3.14 -7.23 -1.26 -1.49 120.40 119.12 2j4b s VAL 147 Ca 0.32 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2j4b s VAL 147 Cb -0.16 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2j4b s VAL 147 CO 0.13 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.99