#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3z s HIS 2 N 0.00 0.57 0.05 3.52 2.46 -1.26 -4.97 115.29 115.66 1j3z s HIS 2 Ca 0.00 -0.50 -0.22 0.00 0.47 0.00 0.00 55.06 54.82 1j3z s HIS 2 Cb 0.00 -0.83 -0.06 0.00 -0.13 0.00 0.00 32.58 31.56 1j3z s HIS 2 CO 0.00 -0.52 0.65 -0.51 -2.47 0.00 0.00 174.74 171.89 1j3z s LEU 3 N 2.01 4.48 0.73 8.88 1.02 -1.26 -5.06 118.68 129.48 1j3z s LEU 3 Ca 0.01 1.31 -0.11 0.00 0.02 0.00 0.00 54.13 55.37 1j3z s LEU 3 Cb -0.16 -3.03 0.03 0.00 0.02 0.00 0.00 46.19 43.06 1j3z s LEU 3 CO -0.08 0.15 1.08 0.28 0.02 0.00 0.00 176.35 177.80 1j3z s THR 4 N -0.55 3.59 0.27 5.49 -1.32 -1.26 -4.79 115.64 117.08 1j3z s THR 4 Ca 0.33 0.53 0.01 0.00 -1.21 0.00 0.00 61.69 61.35 1j3z s THR 4 Cb -0.20 -3.12 0.26 0.00 -1.51 0.00 0.00 72.50 67.94 1j3z s THR 4 CO 0.20 -0.66 1.78 -0.65 -2.21 0.00 0.00 174.62 173.08 1j3z h PRO 5 N -0.88 0.71 -0.52 7.08 0.11 -1.99 -0.77 132.00 135.74 1j3z h PRO 5 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1j3z h PRO 5 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1j3z h PRO 5 CO 0.54 0.47 -0.01 1.05 -0.21 0.00 0.00 178.00 179.84 1j3z h GLU 6 N 0.73 0.87 -0.20 1.05 9.09 -1.99 -2.10 114.58 122.04 1j3z h GLU 6 Ca 0.49 -0.25 -0.05 0.00 0.05 0.00 0.00 59.36 59.60 1j3z h GLU 6 Cb 0.65 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.65 1j3z h GLU 6 CO -0.34 0.88 -0.06 0.93 0.05 0.00 0.00 179.01 180.47 1j3z h GLU 7 N 0.81 0.38 -0.63 1.06 5.08 -1.70 -0.78 114.58 118.80 1j3z h GLU 7 Ca 0.15 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1j3z h GLU 7 Cb 0.49 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1j3z h GLU 7 CO 0.02 0.65 0.36 0.87 -1.00 0.00 0.00 179.01 179.91 1j3z h LYS 8 N 0.10 0.66 -0.26 2.33 1.57 -1.12 0.22 116.57 120.07 1j3z h LYS 8 Ca 0.05 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1j3z h LYS 8 Cb 0.51 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1j3z h LYS 8 CO 0.02 0.44 0.13 1.03 -0.57 0.00 0.00 179.45 180.50 1j3z h SER 9 N 0.68 0.19 -0.84 0.86 0.87 -1.23 -1.31 113.55 112.77 1j3z h SER 9 Ca 0.27 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1j3z h SER 9 Cb 0.13 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1j3z h SER 9 CO -0.16 0.15 0.52 0.00 -0.53 0.00 0.00 176.83 176.81 1j3z h ALA 10 N 1.13 1.06 0.12 6.23 0.00 -0.45 -1.78 119.26 125.57 1j3z h ALA 10 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j3z h ALA 10 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1j3z h ALA 10 CO -0.07 0.51 -0.06 0.28 0.00 0.00 0.00 179.25 179.91 1j3z h VAL 11 N 1.14 0.98 -0.46 0.00 2.07 -0.62 -2.38 116.25 117.00 1j3z h VAL 11 Ca 0.30 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1j3z h VAL 11 Cb -0.07 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1j3z h VAL 11 CO -0.06 0.10 0.23 0.74 0.02 0.00 0.00 177.57 178.60 1j3z h THR 12 N -0.34 1.18 -0.26 2.57 2.02 -1.14 -1.16 112.91 115.78 1j3z h THR 12 Ca -0.02 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1j3z h THR 12 Cb 0.28 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1j3z h THR 12 CO 0.03 0.19 0.02 0.00 0.37 0.00 0.00 175.52 176.13 1j3z h ALA 13 N 1.08 0.24 -0.53 6.16 0.00 -1.34 -2.42 119.26 122.45 1j3z h ALA 13 Ca 0.16 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1j3z h ALA 13 Cb 0.10 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1j3z h ALA 13 CO -0.02 -0.40 -0.13 1.25 0.00 0.00 0.00 179.25 179.96 1j3z h LEU 14 N 0.11 1.02 -0.98 0.00 6.46 -1.23 -3.25 115.31 117.43 1j3z h LEU 14 Ca 0.12 -0.35 -0.10 0.00 -0.12 0.00 0.00 57.88 57.43 1j3z h LEU 14 Cb 0.14 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 1j3z h LEU 14 CO -0.18 1.14 -0.48 -0.25 -0.62 0.00 0.00 178.44 178.04 1j3z h TRP 15 N 0.90 0.00 0.00 1.25 2.91 -0.96 -0.81 115.95 119.24 1j3z h TRP 15 Ca 0.14 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1j3z h TRP 15 Cb 0.69 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1j3z h TRP 15 CO 0.05 0.48 0.00 0.41 -1.03 0.00 0.00 178.44 178.35 1j3z n GLY 16 N -0.00 -0.98 0.72 2.65 0.00 -0.93 -1.36 105.19 105.28 1j3z n GLY 16 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1j3z n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3z n LYS 17 N -2.19 1.61 -3.07 1.61 5.02 -0.31 -5.00 118.16 115.83 1j3z n LYS 17 Ca -0.00 -1.66 -0.40 0.00 -2.02 0.00 0.00 58.31 54.24 1j3z n LYS 17 Cb 0.10 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1j3z n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j3z s VAL 18 N -1.28 4.98 -0.68 -0.18 1.01 -0.46 -5.01 120.40 118.77 1j3z s VAL 18 Ca 0.22 1.43 -0.24 0.00 0.00 0.00 0.00 61.98 63.39 1j3z s VAL 18 Cb 0.15 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1j3z s VAL 18 CO 0.21 0.30 1.06 0.21 0.00 0.00 0.00 175.10 176.88 1j3z s ASN 19 N 0.49 6.17 0.41 3.32 3.84 -1.26 -4.91 114.94 123.01 1j3z s ASN 19 Ca 0.36 -0.85 0.10 0.00 0.21 0.00 0.00 52.86 52.69 1j3z s ASN 19 Cb -0.18 -2.46 0.88 0.00 -0.55 0.00 0.00 41.25 38.94 1j3z s ASN 19 CO 0.18 -1.55 1.97 0.58 -2.79 0.00 0.00 177.10 175.49 1j3z h VAL 20 N 5.99 1.14 0.59 -5.21 2.07 -1.95 -0.75 116.25 118.14 1j3z h VAL 20 Ca -0.28 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1j3z h VAL 20 Cb 1.06 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1j3z h VAL 20 CO 1.21 0.19 -0.28 0.44 0.02 0.00 0.00 177.57 179.15 1j3z h ASP 21 N 0.22 -0.67 0.05 0.57 5.19 -1.92 0.93 116.42 120.81 1j3z h ASP 21 Ca 0.05 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1j3z h ASP 21 Cb 0.26 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1j3z h ASP 21 CO 0.01 -0.35 -0.03 -0.33 -3.12 0.00 0.00 179.24 175.42 1j3z h GLU 22 N -0.98 -0.07 -0.66 3.56 5.08 -1.96 -0.86 114.58 118.69 1j3z h GLU 22 Ca -0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1j3z h GLU 22 Cb 0.66 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1j3z h GLU 22 CO 0.13 -0.00 0.14 0.28 -1.00 0.00 0.00 179.01 178.56 1j3z h VAL 23 N -0.11 1.26 -0.07 3.13 2.07 -1.17 -0.15 116.25 121.20 1j3z h VAL 23 Ca -0.01 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1j3z h VAL 23 Cb 0.10 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1j3z h VAL 23 CO 0.01 0.37 0.04 1.23 0.02 0.00 0.00 177.57 179.24 1j3z h GLY 24 N 1.00 0.11 0.95 2.17 0.00 -0.70 0.11 103.07 106.70 1j3z h GLY 24 Ca 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1j3z h GLY 24 CO 0.01 0.05 0.54 -1.33 0.00 0.00 0.00 176.54 175.80 1j3z h GLY 25 N 0.02 1.18 0.99 4.60 0.00 -1.02 -1.36 103.07 107.48 1j3z h GLY 25 Ca 0.03 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1j3z h GLY 25 CO -0.00 0.39 -0.04 0.83 0.00 0.00 0.00 176.54 177.72 1j3z h GLU 26 N 1.08 0.80 -0.19 4.80 4.39 -0.87 -1.31 114.58 123.29 1j3z h GLU 26 Ca 0.31 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1j3z h GLU 26 Cb -0.07 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1j3z h GLU 26 CO -0.09 0.89 -0.15 0.00 -1.16 0.00 0.00 179.01 178.50 1j3z h ALA 27 N 0.89 0.27 -0.43 3.43 0.00 -0.56 0.36 119.26 123.22 1j3z h ALA 27 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1j3z h ALA 27 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1j3z h ALA 27 CO 0.03 0.16 -0.11 1.25 0.00 0.00 0.00 179.25 180.58 1j3z h LEU 28 N 0.11 0.84 -0.20 0.00 5.85 -1.30 -1.18 115.31 119.42 1j3z h LEU 28 Ca 0.03 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1j3z h LEU 28 Cb 0.68 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1j3z h LEU 28 CO 0.04 1.01 0.03 1.23 -0.34 0.00 0.00 178.44 180.41 1j3z h GLY 29 N 0.66 0.21 1.83 3.75 0.00 -1.17 -2.12 103.07 106.24 1j3z h GLY 29 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1j3z h GLY 29 CO 0.04 -0.01 -0.28 3.21 0.00 0.00 0.00 176.54 179.51 1j3z h ARG 30 N 0.11 0.20 -0.45 4.80 3.08 -0.84 -0.95 114.38 120.32 1j3z h ARG 30 Ca 0.09 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1j3z h ARG 30 Cb 0.09 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1j3z h ARG 30 CO -0.13 0.47 0.08 1.25 -1.07 0.00 0.00 179.97 180.57 1j3z h LEU 31 N 0.18 -0.01 -0.83 3.04 5.85 -0.76 0.24 115.31 123.02 1j3z h LEU 31 Ca 0.03 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1j3z h LEU 31 Cb 0.59 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1j3z h LEU 31 CO 0.04 0.03 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.64 1j3z h LEU 32 N 0.21 0.00 0.11 2.25 3.38 -0.71 -0.67 115.31 119.88 1j3z h LEU 32 Ca 0.22 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.00 1j3z h LEU 32 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1j3z h LEU 32 CO -0.30 0.46 -0.95 0.58 0.09 0.00 0.00 178.44 178.33 1j3z h VAL 33 N 0.00 1.36 0.10 1.22 2.07 -0.75 -3.26 116.25 116.99 1j3z h VAL 33 Ca -0.00 -2.46 -0.26 0.00 0.82 0.00 0.00 66.70 64.80 1j3z h VAL 33 Cb 0.99 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 1j3z h VAL 33 CO 0.06 0.68 -1.18 0.58 0.02 0.00 0.00 177.57 177.73 1j3z h VAL 34 N -0.45 1.48 -2.39 2.57 2.07 -0.53 -3.37 116.25 115.64 1j3z h VAL 34 Ca -0.19 -2.94 -0.60 0.00 0.82 0.00 0.00 66.70 63.79 1j3z h VAL 34 Cb 1.60 2.84 -0.41 0.00 -1.52 0.00 0.00 31.29 33.79 1j3z h VAL 34 CO 0.09 0.86 -0.69 -1.22 0.02 0.00 0.00 177.57 176.63 1j3z n TYR 35 N -3.58 2.64 0.28 1.57 4.01 -0.26 -4.98 117.16 116.84 1j3z n TYR 35 Ca -0.08 -4.05 0.17 0.00 -0.16 0.00 0.00 57.90 53.79 1j3z n TYR 35 Cb 0.98 -0.49 0.87 0.00 -0.31 0.00 0.00 39.34 40.40 1j3z n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j3z h PRO 36 N 4.54 0.00 0.00 -0.72 0.13 -1.73 -0.65 132.00 133.58 1j3z h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1j3z h PRO 36 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1j3z h PRO 36 CO 0.72 0.00 -0.02 0.11 -0.23 0.00 0.00 178.00 178.58 1j3z h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.25 115.95 114.44 1j3z h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j3z h TRP 37 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.36 1j3z h TRP 37 CO 0.00 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1j3z n THR 38 N -3.36 1.03 0.22 0.12 -2.24 -0.25 -2.33 114.28 107.47 1j3z n THR 38 Ca -0.02 0.32 0.06 0.00 -2.27 0.00 0.00 64.05 62.14 1j3z n THR 38 Cb 0.14 -1.21 0.30 0.00 -2.10 0.00 0.00 70.33 67.46 1j3z n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3z n GLN 39 N -1.92 0.07 0.25 -0.78 6.02 -0.47 -3.46 117.38 117.09 1j3z n GLN 39 Ca 0.02 0.46 0.14 0.00 -0.01 0.00 0.00 57.00 57.61 1j3z n GLN 39 Cb 0.16 -1.68 0.81 0.00 1.02 0.00 0.00 30.24 30.56 1j3z n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1j3z h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.69 -1.38 114.38 110.34 1j3z h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j3z h ARG 40 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1j3z h ARG 40 CO 0.00 0.00 -0.12 1.19 0.10 0.00 0.00 179.97 181.14 1j3z n PHE 41 N -4.04 0.00 -2.07 4.08 3.72 -1.22 -4.32 117.46 113.61 1j3z n PHE 41 Ca -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 1j3z n PHE 41 Cb 0.18 -0.23 0.10 0.00 -0.94 0.00 0.00 39.48 38.60 1j3z n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j3z n PHE 42 N -1.08 0.65 0.26 1.38 3.72 -0.52 -4.78 117.46 117.08 1j3z n PHE 42 Ca 0.13 -1.43 0.09 0.00 -0.05 0.00 0.00 57.45 56.19 1j3z n PHE 42 Cb 0.28 -0.24 0.68 0.00 -0.94 0.00 0.00 39.48 39.27 1j3z n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j3z h GLU 43 N 1.40 0.00 0.00 -1.08 4.39 -1.75 -1.00 114.58 116.54 1j3z h GLU 43 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1j3z h GLU 43 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1j3z h GLU 43 CO 0.19 0.02 0.00 -1.13 -1.16 0.00 0.00 179.01 176.93 1j3z n SER 44 N -4.36 0.00 0.01 1.42 3.41 -1.26 -3.49 113.62 109.35 1j3z n SER 44 Ca -0.03 0.06 0.14 0.00 -0.26 0.00 0.00 58.87 58.78 1j3z n SER 44 Cb 0.11 -0.33 0.59 0.00 -0.26 0.00 0.00 64.21 64.32 1j3z n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j3z n PHE 45 N -1.33 0.06 -1.31 7.33 3.01 -0.38 -5.02 117.46 119.82 1j3z n PHE 45 Ca 0.10 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1j3z n PHE 45 Cb 0.20 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 1j3z n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j3z n GLY 46 N 1.40 0.78 3.63 1.37 0.00 -1.23 -4.81 105.19 106.33 1j3z n GLY 46 Ca 0.07 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1j3z n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j3z s ASP 47 N -4.00 6.65 -0.14 1.61 2.15 -1.26 -4.85 116.67 116.82 1j3z s ASP 47 Ca 0.00 1.29 0.14 0.00 0.43 0.00 0.00 52.55 54.42 1j3z s ASP 47 Cb 0.00 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.44 1j3z s ASP 47 CO 0.00 -1.09 1.18 0.18 -0.17 0.00 0.00 175.17 175.27 1j3z n LEU 48 N 7.68 2.17 0.00 -1.34 4.77 -1.26 -4.23 117.00 124.79 1j3z n LEU 48 Ca 0.15 -3.20 0.12 0.00 -0.03 0.00 0.00 56.01 53.05 1j3z n LEU 48 Cb 0.46 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.46 1j3z n LEU 48 CO 0.63 1.00 0.52 -1.54 -1.33 0.00 0.00 177.39 176.67 1j3z n SER 49 N -0.90 0.44 -4.05 -1.43 3.41 -1.26 -4.70 113.62 105.13 1j3z n SER 49 Ca 0.15 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1j3z n SER 49 Cb 0.74 0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.76 1j3z n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1j3z s THR 50 N -3.00 0.13 0.20 6.66 -4.23 -1.26 -5.03 115.64 109.10 1j3z s THR 50 Ca 0.11 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 58.85 1j3z s THR 50 Cb 0.18 -1.77 0.13 0.00 1.34 0.00 0.00 72.50 72.37 1j3z s THR 50 CO 0.68 -0.58 1.82 -0.65 -0.54 0.00 0.00 174.62 175.34 1j3z h PRO 51 N 2.85 0.69 -0.11 3.99 0.11 -1.98 -1.34 132.00 136.21 1j3z h PRO 51 Ca -0.34 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.58 1j3z h PRO 51 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1j3z h PRO 51 CO 0.58 0.45 -0.57 -0.44 -0.21 0.00 0.00 178.00 177.82 1j3z h ASP 52 N 0.71 0.36 -0.72 -2.05 3.45 -1.98 -0.19 116.42 115.99 1j3z h ASP 52 Ca 0.28 -0.20 0.01 0.00 0.43 0.00 0.00 57.03 57.55 1j3z h ASP 52 Cb 0.13 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 38.76 1j3z h ASP 52 CO -0.15 0.85 0.47 0.00 -1.57 0.00 0.00 179.24 178.84 1j3z h ALA 53 N 1.15 0.92 0.13 3.45 0.00 -1.79 -1.17 119.26 121.95 1j3z h ALA 53 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j3z h ALA 53 Cb 1.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1j3z h ALA 53 CO 0.09 0.34 -0.06 0.28 0.00 0.00 0.00 179.25 179.90 1j3z h VAL 54 N 0.98 1.04 -0.34 0.00 2.07 -0.99 -2.72 116.25 116.29 1j3z h VAL 54 Ca 0.26 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1j3z h VAL 54 Cb -0.11 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1j3z h VAL 54 CO -0.06 0.19 0.03 0.24 0.02 0.00 0.00 177.57 177.99 1j3z h MET 55 N -0.56 0.51 -0.06 1.57 2.07 -0.94 -2.70 114.93 114.83 1j3z h MET 55 Ca -0.02 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.52 1j3z h MET 55 Cb 0.44 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1j3z h MET 55 CO 0.03 0.52 0.00 0.41 1.07 0.00 0.00 176.91 178.93 1j3z n GLY 56 N -0.96 0.46 3.67 8.32 0.00 -0.45 -4.76 105.19 111.46 1j3z n GLY 56 Ca 0.02 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1j3z n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3z s ASN 57 N -1.92 6.82 0.51 1.61 3.84 -1.02 -4.90 114.94 119.88 1j3z s ASN 57 Ca 0.34 2.00 0.17 0.00 0.21 0.00 0.00 52.86 55.58 1j3z s ASN 57 Cb 0.20 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.64 1j3z s ASN 57 CO 0.32 -0.81 2.13 -0.65 -2.79 0.00 0.00 177.10 175.29 1j3z h PRO 58 N 8.64 0.00 0.01 0.43 0.11 -1.91 -1.55 132.00 137.73 1j3z h PRO 58 Ca -0.34 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.56 1j3z h PRO 58 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1j3z h PRO 58 CO 0.95 0.03 -0.91 0.87 -0.21 0.00 0.00 178.00 178.73 1j3z h LYS 59 N 0.00 0.21 -0.29 1.05 1.57 -1.90 -0.53 116.57 116.68 1j3z h LYS 59 Ca -0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1j3z h LYS 59 Cb 0.06 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1j3z h LYS 59 CO 0.00 0.98 0.11 0.28 -0.57 0.00 0.00 179.45 180.26 1j3z h VAL 60 N 0.11 1.18 -0.60 0.50 2.07 -1.63 -0.67 116.25 117.21 1j3z h VAL 60 Ca -0.05 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1j3z h VAL 60 Cb 1.55 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1j3z h VAL 60 CO 0.14 0.19 0.33 0.11 0.02 0.00 0.00 177.57 178.35 1j3z h LYS 61 N 0.32 0.84 -0.29 1.57 1.57 -1.22 0.30 116.57 119.65 1j3z h LYS 61 Ca 0.10 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1j3z h LYS 61 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1j3z h LYS 61 CO -0.01 0.64 -0.05 0.00 -0.57 0.00 0.00 179.45 179.47 1j3z h ALA 62 N 1.15 0.40 -0.47 3.86 0.00 -1.02 -1.62 119.26 121.57 1j3z h ALA 62 Ca 0.21 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1j3z h ALA 62 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1j3z h ALA 62 CO -0.03 0.20 -0.19 1.25 0.00 0.00 0.00 179.25 180.48 1j3z h HIS 63 N 0.32 1.05 -0.68 0.00 -0.00 -0.98 -1.65 115.15 113.20 1j3z h HIS 63 Ca 0.08 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 1j3z h HIS 63 Cb 0.51 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 1j3z h HIS 63 CO 0.05 1.03 0.44 0.78 -0.00 0.00 0.00 177.93 180.22 1j3z h GLY 64 N 0.92 0.97 1.00 5.26 0.00 -0.84 0.59 103.07 110.98 1j3z h GLY 64 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1j3z h GLY 64 CO 0.06 0.36 0.33 1.70 0.00 0.00 0.00 176.54 178.99 1j3z h LYS 65 N 0.93 0.66 -0.13 4.80 3.64 -1.03 -0.65 116.57 124.79 1j3z h LYS 65 Ca 0.25 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1j3z h LYS 65 Cb -0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1j3z h LYS 65 CO -0.05 0.45 0.07 -0.22 -2.27 0.00 0.00 179.45 177.43 1j3z h LYS 66 N 0.68 0.18 -0.37 1.90 3.64 -0.91 0.63 116.57 122.32 1j3z h LYS 66 Ca 0.18 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1j3z h LYS 66 Cb -0.06 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1j3z h LYS 66 CO -0.04 0.20 0.23 0.28 -2.27 0.00 0.00 179.45 177.84 1j3z h VAL 67 N 0.11 1.12 0.00 2.00 2.07 -0.81 -2.40 116.25 118.34 1j3z h VAL 67 Ca 0.05 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1j3z h VAL 67 Cb 0.07 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1j3z h VAL 67 CO -0.01 0.12 -0.14 0.25 0.02 0.00 0.00 177.57 177.81 1j3z h LEU 68 N 0.49 0.00 -0.48 2.57 6.46 -0.99 -1.33 115.31 122.03 1j3z h LEU 68 Ca 0.13 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1j3z h LEU 68 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1j3z h LEU 68 CO -0.03 0.14 0.12 1.23 -0.62 0.00 0.00 178.44 179.29 1j3z h GLY 69 N 3.31 0.82 1.07 3.75 0.00 -0.67 0.16 103.07 111.50 1j3z h GLY 69 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1j3z h GLY 69 CO 0.02 0.48 -0.17 0.00 0.00 0.00 0.00 176.54 176.86 1j3z h ALA 70 N 0.98 0.65 -0.28 3.60 0.00 -1.12 -1.12 119.26 121.98 1j3z h ALA 70 Ca 0.15 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1j3z h ALA 70 Cb 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1j3z h ALA 70 CO 0.00 0.60 -0.02 0.35 0.00 0.00 0.00 179.25 180.18 1j3z h PHE 71 N 0.78 -0.05 -0.56 0.00 3.04 -1.11 -1.51 116.94 117.54 1j3z h PHE 71 Ca 0.11 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.10 1j3z h PHE 71 Cb 0.74 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1j3z h PHE 71 CO 0.05 -0.07 0.36 1.03 -2.02 0.00 0.00 178.31 177.66 1j3z h SER 72 N 0.06 0.60 -0.84 0.41 0.87 -0.39 -1.57 113.55 112.70 1j3z h SER 72 Ca 0.13 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1j3z h SER 72 Cb 0.19 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 1j3z h SER 72 CO -0.24 0.43 0.53 0.44 -0.53 0.00 0.00 176.83 177.46 1j3z h ASP 73 N 0.72 0.86 0.46 6.23 3.32 -0.97 -2.24 116.42 124.80 1j3z h ASP 73 Ca 0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1j3z h ASP 73 Cb -0.04 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1j3z h ASP 73 CO -0.07 0.58 -0.03 1.23 -1.72 0.00 0.00 179.24 179.24 1j3z h GLY 74 N 1.01 0.00 2.00 2.75 0.00 -0.26 -2.41 103.07 106.16 1j3z h GLY 74 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1j3z h GLY 74 CO -0.13 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.45 1j3z n LEU 75 N -3.21 0.25 -0.24 3.11 4.77 -0.84 -1.17 117.00 119.68 1j3z n LEU 75 Ca -0.01 0.56 0.15 0.00 -0.03 0.00 0.00 56.01 56.68 1j3z n LEU 75 Cb 0.19 -0.53 0.67 0.00 -2.33 0.00 0.00 43.42 41.42 1j3z n LEU 75 CO 0.25 -0.38 0.93 0.00 -1.33 0.00 0.00 177.39 176.86 1j3z n ALA 76 N -1.61 2.68 -2.55 -1.18 0.00 -0.91 -4.20 120.51 112.74 1j3z n ALA 76 Ca 0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1j3z n ALA 76 Cb 0.19 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.35 1j3z n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3z n HIS 77 N -0.48 1.92 0.27 0.00 8.25 -0.32 -4.92 115.22 119.94 1j3z n HIS 77 Ca 0.19 -2.49 0.12 0.00 -0.26 0.00 0.00 57.72 55.29 1j3z n HIS 77 Cb 0.26 -0.27 0.74 0.00 1.12 0.00 0.00 29.99 31.84 1j3z n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j3z h LEU 78 N 2.61 0.00 -0.92 2.41 4.07 -1.73 0.24 115.31 122.00 1j3z h LEU 78 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1j3z h LEU 78 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1j3z h LEU 78 CO 0.50 0.10 0.00 0.47 -1.08 0.00 0.00 178.44 178.44 1j3z n ASP 79 N -3.73 1.42 -2.73 -0.43 8.00 -1.26 -4.32 116.55 113.50 1j3z n ASP 79 Ca -0.02 -1.49 -0.05 0.00 0.71 0.00 0.00 54.79 53.94 1j3z n ASP 79 Cb 0.21 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1j3z n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j3z n ASN 80 N 0.11 0.92 -0.19 -2.24 5.15 0.06 -4.97 115.26 114.10 1j3z n ASN 80 Ca 0.19 -2.41 -0.08 0.00 -0.60 0.00 0.00 54.58 51.68 1j3z n ASN 80 Cb 0.34 -0.26 0.02 0.00 -0.53 0.00 0.00 39.78 39.34 1j3z n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j3z h LEU 81 N 2.61 0.80 -0.89 1.20 3.38 -1.71 -0.91 115.31 119.79 1j3z h LEU 81 Ca -0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1j3z h LEU 81 Cb 1.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1j3z h LEU 81 CO 0.28 0.79 0.51 0.11 0.09 0.00 0.00 178.44 180.22 1j3z h LYS 82 N 0.76 1.23 -0.24 1.13 1.57 -1.88 -0.21 116.57 118.92 1j3z h LYS 82 Ca 0.18 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1j3z h LYS 82 Cb 0.28 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1j3z h LYS 82 CO -0.01 0.88 -0.09 0.78 -0.57 0.00 0.00 179.45 180.44 1j3z h GLY 83 N 1.24 0.53 1.83 3.86 0.00 -1.90 -1.18 103.07 107.45 1j3z h GLY 83 Ca 0.32 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1j3z h GLY 83 CO -0.06 0.42 -0.40 0.00 0.00 0.00 0.00 176.54 176.51 1j3z h THR 84 N 0.22 1.30 -0.19 4.70 1.03 -0.94 -2.91 112.91 116.11 1j3z h THR 84 Ca 0.06 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.99 1j3z h THR 84 Cb 0.58 1.68 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 1j3z h THR 84 CO 0.03 0.43 0.00 0.49 -0.01 0.00 0.00 175.52 176.46 1j3z n PHE 85 N -4.04 0.23 -0.10 0.00 3.72 -0.11 -4.56 117.46 112.60 1j3z n PHE 85 Ca -0.01 -0.12 -0.06 0.00 -0.05 0.00 0.00 57.45 57.21 1j3z n PHE 85 Cb 0.46 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1j3z n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j3z h ALA 86 N 4.49 0.30 -0.86 4.37 0.00 -1.00 0.31 119.26 126.87 1j3z h ALA 86 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1j3z h ALA 86 Cb 0.86 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1j3z h ALA 86 CO 0.00 -0.41 0.54 1.15 0.00 0.00 0.00 179.25 180.53 1j3z h THR 87 N 0.09 1.06 -0.09 0.00 2.02 -1.81 -1.56 112.91 112.62 1j3z h THR 87 Ca 0.17 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 1j3z h THR 87 Cb 0.23 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1j3z h THR 87 CO -0.28 0.18 -0.61 -0.07 0.37 0.00 0.00 175.52 175.10 1j3z h LEU 88 N 0.99 0.37 0.09 2.58 3.38 -1.73 -1.91 115.31 119.08 1j3z h LEU 88 Ca 0.37 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1j3z h LEU 88 Cb 0.13 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1j3z h LEU 88 CO -0.16 0.89 -0.06 -1.28 0.09 0.00 0.00 178.44 177.92 1j3z h SER 89 N 0.24 -0.16 -0.91 -0.43 0.87 -0.53 -0.16 113.55 112.46 1j3z h SER 89 Ca -0.01 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1j3z h SER 89 Cb 1.14 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 1j3z h SER 89 CO 0.10 -0.10 0.59 -0.08 -0.53 0.00 0.00 176.83 176.81 1j3z h GLU 90 N -0.16 1.14 -0.28 2.24 4.81 -1.17 -1.57 114.58 119.59 1j3z h GLU 90 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1j3z h GLU 90 Cb 0.14 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1j3z h GLU 90 CO -0.00 0.75 0.12 1.25 -0.73 0.00 0.00 179.01 180.40 1j3z h LEU 91 N 1.17 0.38 -1.15 1.64 5.85 -1.06 0.00 115.31 122.14 1j3z h LEU 91 Ca 0.35 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1j3z h LEU 91 Cb -0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1j3z h LEU 91 CO -0.11 0.44 -0.37 0.45 -0.34 0.00 0.00 178.44 178.52 1j3z h HIS 92 N 0.31 0.12 0.32 1.25 3.86 -0.70 -1.46 115.15 118.85 1j3z h HIS 92 Ca 0.09 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1j3z h HIS 92 Cb 0.17 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1j3z h HIS 92 CO -0.01 0.46 -0.15 0.00 0.86 0.00 0.00 177.93 179.09 1j3z h ASP 94 N -0.83 0.62 0.00 0.00 3.32 -1.00 -3.08 116.42 115.46 1j3z h ASP 94 Ca -0.04 -0.50 -0.42 0.00 0.02 0.00 0.00 57.03 56.09 1j3z h ASP 94 Cb 0.33 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1j3z h ASP 94 CO 0.07 1.30 -2.51 0.29 -1.72 0.00 0.00 179.24 176.67 1j3z n LYS 95 N -3.77 0.62 0.05 3.56 4.01 -0.61 -4.71 118.16 117.31 1j3z n LYS 95 Ca -0.08 0.20 0.11 0.00 -0.51 0.00 0.00 58.31 58.03 1j3z n LYS 95 Cb 0.85 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.81 1j3z n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1j3z n LEU 96 N -3.69 0.51 -3.68 -0.35 4.77 -0.85 -4.99 117.00 108.72 1j3z n LEU 96 Ca -0.50 0.15 -0.23 0.00 -0.03 0.00 0.00 56.01 55.40 1j3z n LEU 96 Cb 0.94 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 42.03 1j3z n LEU 96 CO 0.16 -0.08 0.03 1.41 -1.33 0.00 0.00 177.39 177.58 1j3z n HIS 97 N -2.40 -2.15 -3.43 -1.77 8.25 -0.09 -4.96 115.22 108.68 1j3z n HIS 97 Ca -0.01 0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1j3z n HIS 97 Cb 0.53 -4.51 -0.10 0.00 1.12 0.00 0.00 29.99 27.04 1j3z n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j3z s VAL 98 N -3.50 5.19 0.03 1.59 1.01 -0.43 -5.03 120.40 119.27 1j3z s VAL 98 Ca 0.20 0.05 -0.35 0.00 0.00 0.00 0.00 61.98 61.88 1j3z s VAL 98 Cb -0.10 -3.78 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 1j3z s VAL 98 CO 0.79 -0.05 1.69 -0.67 0.00 0.00 0.00 175.10 176.86 1j3z n ASP 99 N 5.32 3.08 0.25 3.32 -0.08 -1.26 -4.72 116.55 122.47 1j3z n ASP 99 Ca -0.10 1.04 0.14 0.00 -1.51 0.00 0.00 54.79 54.37 1j3z n ASP 99 Cb 0.50 -1.37 0.77 0.00 2.34 0.00 0.00 41.12 43.36 1j3z n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j3z h PRO 100 N 7.19 0.00 -0.07 -0.67 0.11 -1.96 -1.28 132.00 135.32 1j3z h PRO 100 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1j3z h PRO 100 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1j3z h PRO 100 CO 0.91 0.00 0.05 1.49 -0.21 0.00 0.00 178.00 180.24 1j3z h GLU 101 N 0.00 0.00 -0.76 1.05 4.57 -1.98 -0.97 114.58 116.49 1j3z h GLU 101 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1j3z h GLU 101 Cb 0.26 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1j3z h GLU 101 CO 0.00 0.00 0.50 -0.91 -1.18 0.00 0.00 179.01 177.42 1j3z h ASN 102 N 0.00 0.69 -0.30 1.04 4.21 -1.59 -1.10 115.58 118.53 1j3z h ASN 102 Ca 0.03 0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.45 1j3z h ASN 102 Cb 0.14 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1j3z h ASN 102 CO -0.00 0.43 -0.18 -0.26 -1.29 0.00 0.00 177.43 176.13 1j3z h PHE 103 N 0.77 0.85 -0.36 1.19 0.04 -1.36 -0.69 116.94 117.39 1j3z h PHE 103 Ca 0.34 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 1j3z h PHE 103 Cb 0.31 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1j3z h PHE 103 CO -0.00 0.88 -0.00 0.00 -0.60 0.00 0.00 178.31 178.58 1j3z h ARG 104 N 0.67 0.63 -0.39 1.51 3.08 -1.31 -0.95 114.38 117.62 1j3z h ARG 104 Ca 0.10 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1j3z h ARG 104 Cb 0.67 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1j3z h ARG 104 CO 0.05 0.75 0.19 -0.07 -1.07 0.00 0.00 179.97 179.82 1j3z h LEU 105 N 0.44 0.51 -0.80 3.04 3.38 -1.13 -1.86 115.31 118.89 1j3z h LEU 105 Ca 0.10 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1j3z h LEU 105 Cb 0.47 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1j3z h LEU 105 CO 0.02 0.49 0.50 0.25 0.09 0.00 0.00 178.44 179.79 1j3z h LEU 106 N 0.50 0.82 -0.63 1.67 5.85 -1.03 -1.25 115.31 121.24 1j3z h LEU 106 Ca 0.14 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1j3z h LEU 106 Cb 0.11 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1j3z h LEU 106 CO -0.02 0.56 0.41 1.23 -0.34 0.00 0.00 178.44 180.28 1j3z h GLY 107 N 0.97 0.88 0.99 3.75 0.00 -0.81 0.13 103.07 108.99 1j3z h GLY 107 Ca 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1j3z h GLY 107 CO -0.13 0.30 0.32 3.43 0.00 0.00 0.00 176.54 180.46 1j3z h ASN 108 N 0.82 0.76 -0.60 0.19 2.35 -0.85 -1.87 115.58 116.38 1j3z h ASN 108 Ca 0.24 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1j3z h ASN 108 Cb -0.06 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1j3z h ASN 108 CO -0.07 0.65 0.17 0.58 -1.65 0.00 0.00 177.43 177.12 1j3z h VAL 109 N 0.82 1.25 -0.61 2.81 2.07 -0.84 -2.35 116.25 119.40 1j3z h VAL 109 Ca 0.21 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1j3z h VAL 109 Cb 0.07 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1j3z h VAL 109 CO -0.03 0.32 0.34 0.25 0.02 0.00 0.00 177.57 178.47 1j3z h LEU 110 N 0.87 0.52 -0.73 2.57 5.85 -0.49 0.35 115.31 124.25 1j3z h LEU 110 Ca 0.19 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1j3z h LEU 110 Cb 0.31 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1j3z h LEU 110 CO -0.00 0.35 0.45 0.58 -0.34 0.00 0.00 178.44 179.47 1j3z h VAL 111 N 0.65 1.07 -0.96 1.05 2.07 -1.10 0.10 116.25 119.13 1j3z h VAL 111 Ca 0.26 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j3z h VAL 111 Cb 0.13 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 1j3z h VAL 111 CO -0.15 0.16 0.61 0.00 0.02 0.00 0.00 177.57 178.20 1j3z h VAL 113 N 1.32 1.27 -0.41 0.00 2.07 -0.29 0.25 116.25 120.46 1j3z h VAL 113 Ca 0.35 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1j3z h VAL 113 Cb -0.10 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1j3z h VAL 113 CO -0.07 0.49 0.05 -0.07 0.02 0.00 0.00 177.57 177.98 1j3z h LEU 114 N 0.77 0.67 -0.72 2.57 3.38 -0.82 -0.30 115.31 120.86 1j3z h LEU 114 Ca 0.09 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1j3z h LEU 114 Cb 0.84 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1j3z h LEU 114 CO 0.07 0.78 0.44 0.00 0.09 0.00 0.00 178.44 179.83 1j3z h ALA 115 N 0.92 0.96 -0.73 1.53 0.00 -1.08 -0.31 119.26 120.55 1j3z h ALA 115 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1j3z h ALA 115 Cb 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1j3z h ALA 115 CO 0.01 0.19 0.34 1.25 0.00 0.00 0.00 179.25 181.05 1j3z h HIS 116 N 0.84 1.06 0.00 0.00 -0.00 -0.49 0.12 115.15 116.68 1j3z h HIS 116 Ca 0.30 -0.05 -0.18 0.00 -0.00 0.00 0.00 60.37 60.44 1j3z h HIS 116 Cb 0.08 -0.33 0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1j3z h HIS 116 CO -0.05 0.78 -0.69 1.25 -0.00 0.00 0.00 177.93 179.23 1j3z h HIS 117 N 1.03 0.70 0.00 5.26 6.17 -0.76 -3.36 115.15 124.18 1j3z h HIS 117 Ca 0.25 -0.38 0.00 0.00 0.71 0.00 0.00 60.37 60.95 1j3z h HIS 117 Cb 0.13 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1j3z h HIS 117 CO 0.01 1.20 -0.98 0.74 0.71 0.00 0.00 177.93 179.61 1j3z h PHE 118 N -0.01 0.00 0.00 5.26 0.04 -1.01 -3.50 116.94 117.72 1j3z h PHE 118 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1j3z h PHE 118 Cb 1.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.54 1j3z h PHE 118 CO 0.14 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.26 1j3z n GLY 119 N 1.18 3.44 0.33 -1.45 0.00 0.02 -2.24 105.19 106.48 1j3z n GLY 119 Ca 0.00 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1j3z n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j3z h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.96 -0.57 116.57 117.23 1j3z h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1j3z h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1j3z h LYS 120 CO 0.00 0.00 -0.13 1.49 -0.57 0.00 0.00 179.45 180.24 1j3z h GLU 121 N 0.00 0.00 -3.51 3.15 4.81 -1.85 -3.30 114.58 113.88 1j3z h GLU 121 Ca 0.02 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.53 1j3z h GLU 121 Cb 0.24 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 1j3z h GLU 121 CO -0.00 0.13 2.75 0.34 -0.73 0.00 0.00 179.01 181.50 1j3z n PHE 122 N -3.33 3.05 -1.03 0.92 7.35 -0.22 -4.94 117.46 119.25 1j3z n PHE 122 Ca -0.00 -2.91 -0.30 0.00 -0.76 0.00 0.00 57.45 53.49 1j3z n PHE 122 Cb 0.35 -2.24 0.16 0.00 0.35 0.00 0.00 39.48 38.10 1j3z n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j3z s THR 123 N 1.51 2.51 0.20 -2.13 -4.23 -1.24 -4.62 115.64 107.64 1j3z s THR 123 Ca 0.48 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 1j3z s THR 123 Cb 0.14 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.60 1j3z s THR 123 CO -0.05 -0.22 1.72 -0.65 -0.54 0.00 0.00 174.62 174.88 1j3z h PRO 124 N -1.74 0.28 -0.96 3.99 0.11 -1.93 0.77 132.00 132.51 1j3z h PRO 124 Ca -0.50 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1j3z h PRO 124 Cb 1.29 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1j3z h PRO 124 CO 0.52 0.18 0.64 -1.35 -0.21 0.00 0.00 178.00 177.78 1j3z h PRO 125 N 0.29 1.27 -0.37 1.05 0.11 -1.99 -0.11 132.00 132.24 1j3z h PRO 125 Ca 0.30 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1j3z h PRO 125 Cb 0.41 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1j3z h PRO 125 CO -0.36 0.84 0.13 0.28 -0.21 0.00 0.00 178.00 178.68 1j3z h VAL 126 N 1.31 1.20 -0.53 3.15 2.07 -1.69 -2.20 116.25 119.56 1j3z h VAL 126 Ca 0.35 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1j3z h VAL 126 Cb -0.15 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1j3z h VAL 126 CO -0.08 0.23 0.22 -0.61 0.02 0.00 0.00 177.57 177.36 1j3z h GLN 127 N 0.45 0.41 -0.82 1.57 4.15 -0.63 -1.87 115.11 118.37 1j3z h GLN 127 Ca 0.12 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.56 1j3z h GLN 127 Cb 0.23 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.77 1j3z h GLN 127 CO -0.01 0.27 0.51 0.00 -1.93 0.00 0.00 178.83 177.68 1j3z h ALA 128 N 1.34 1.10 -0.54 3.38 0.00 -0.74 0.27 119.26 124.06 1j3z h ALA 128 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1j3z h ALA 128 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1j3z h ALA 128 CO -0.23 0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.58 1j3z h ALA 129 N 1.37 0.70 -0.09 0.00 0.00 -1.02 -2.34 119.26 117.88 1j3z h ALA 129 Ca 0.35 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1j3z h ALA 129 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1j3z h ALA 129 CO -0.15 0.24 -0.44 1.88 0.00 0.00 0.00 179.25 180.79 1j3z h TYR 130 N 0.73 0.25 -0.70 0.00 0.05 -0.41 -1.98 116.97 114.90 1j3z h TYR 130 Ca 0.19 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 1j3z h TYR 130 Cb 0.09 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1j3z h TYR 130 CO -0.01 0.61 0.38 1.96 -1.05 0.00 0.00 178.16 180.06 1j3z h GLN 131 N 0.17 0.98 -0.26 4.88 1.08 -0.24 0.37 115.11 122.10 1j3z h GLN 131 Ca 0.01 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1j3z h GLN 131 Cb 0.85 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1j3z h GLN 131 CO 0.07 0.73 0.12 0.87 -0.95 0.00 0.00 178.83 179.68 1j3z h LYS 132 N 0.96 0.26 -0.17 1.46 1.57 -1.12 -1.67 116.57 117.86 1j3z h LYS 132 Ca 0.25 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1j3z h LYS 132 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1j3z h LYS 132 CO -0.04 0.17 0.08 0.28 -0.57 0.00 0.00 179.45 179.37 1j3z h VAL 133 N 0.27 1.13 -0.36 0.50 2.07 -0.95 -0.26 116.25 118.66 1j3z h VAL 133 Ca 0.11 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1j3z h VAL 133 Cb 0.03 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1j3z h VAL 133 CO -0.08 0.13 -0.18 -0.37 0.02 0.00 0.00 177.57 177.09 1j3z h VAL 134 N 0.15 1.26 -0.51 2.57 -1.51 -0.87 0.97 116.25 118.32 1j3z h VAL 134 Ca 0.06 -1.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.30 1j3z h VAL 134 Cb 0.13 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1j3z h VAL 134 CO -0.01 0.41 0.28 0.00 -1.23 0.00 0.00 177.57 177.02 1j3z h ALA 135 N 1.21 0.65 -0.65 5.19 0.00 -1.18 -0.89 119.26 123.60 1j3z h ALA 135 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j3z h ALA 135 Cb 0.64 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1j3z h ALA 135 CO 0.05 0.17 0.35 0.78 0.00 0.00 0.00 179.25 180.59 1j3z h GLY 136 N 0.68 0.97 0.93 0.00 0.00 -0.27 0.29 103.07 105.67 1j3z h GLY 136 Ca 0.18 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1j3z h GLY 136 CO -0.03 0.42 -0.06 -2.08 0.00 0.00 0.00 176.54 174.79 1j3z h VAL 137 N 0.88 1.27 -0.46 4.60 2.07 -0.72 0.12 116.25 124.01 1j3z h VAL 137 Ca 0.23 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1j3z h VAL 137 Cb 0.05 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1j3z h VAL 137 CO -0.04 0.36 0.23 0.00 0.02 0.00 0.00 177.57 178.15 1j3z h ALA 138 N 0.83 0.59 -0.91 1.67 0.00 -0.97 0.10 119.26 120.58 1j3z h ALA 138 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1j3z h ALA 138 Cb 0.55 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1j3z h ALA 138 CO 0.03 0.14 0.60 -0.91 0.00 0.00 0.00 179.25 179.11 1j3z h ASN 139 N 0.60 1.04 -0.58 0.00 -0.26 -0.86 -0.44 115.58 115.09 1j3z h ASN 139 Ca 0.16 -0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.79 1j3z h ASN 139 Cb 0.10 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 1j3z h ASN 139 CO -0.02 0.75 0.05 0.00 -1.06 0.00 0.00 177.43 177.15 1j3z h ALA 140 N 1.33 0.77 0.00 -0.83 0.00 -0.57 -2.00 119.26 117.96 1j3z h ALA 140 Ca 0.33 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j3z h ALA 140 Cb -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1j3z h ALA 140 CO -0.07 0.56 -0.17 -0.07 0.00 0.00 0.00 179.25 179.49 1j3z h LEU 141 N 0.88 0.00 0.00 0.00 3.38 -0.42 -2.86 115.31 116.29 1j3z h LEU 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j3z h LEU 141 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1j3z h LEU 141 CO 0.02 0.17 -0.27 0.00 0.09 0.00 0.00 178.44 178.45 1j3z h ALA 142 N 1.83 0.86 0.00 1.53 0.00 -0.69 -3.40 119.26 119.40 1j3z h ALA 142 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3z h ALA 142 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1j3z h ALA 142 CO 0.02 0.00 0.00 1.12 0.00 0.00 0.00 179.25 180.39 1j3z h HIS 143 N 0.00 0.00 -0.38 0.00 2.07 -1.13 -2.47 115.15 113.24 1j3z h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1j3z h HIS 143 Cb 0.99 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.97 1j3z h HIS 143 CO 0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 1j3z n LYS 144 N -2.77 2.22 -2.27 5.12 4.76 -1.26 -4.95 118.16 119.00 1j3z n LYS 144 Ca 0.03 -1.86 -0.41 0.00 -2.87 0.00 0.00 58.31 53.20 1j3z n LYS 144 Cb 0.37 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 1j3z n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j3z s TYR 145 N -1.51 3.29 0.00 2.13 1.51 -0.93 -4.77 117.35 117.06 1j3z s TYR 145 Ca 0.36 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 1j3z s TYR 145 Cb 0.20 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 1j3z s TYR 145 CO 0.28 -1.33 0.00 -2.39 -1.11 0.00 0.00 175.55 171.00