#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3z s LEU 2 N 0.00 3.96 0.63 7.52 1.43 -1.26 -5.01 118.68 125.96 1j3z s LEU 2 Ca 0.00 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 1j3z s LEU 2 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1j3z s LEU 2 CO 0.00 -0.94 1.04 -0.94 0.23 0.00 0.00 176.35 175.74 1j3z s SER 3 N 2.25 5.88 0.39 2.29 1.04 -1.26 -4.88 113.70 119.41 1j3z s SER 3 Ca 0.52 1.57 0.14 0.00 0.48 0.00 0.00 55.95 58.67 1j3z s SER 3 Cb -0.16 -2.49 0.98 0.00 0.10 0.00 0.00 66.02 64.45 1j3z s SER 3 CO 0.19 -1.10 1.85 -0.65 0.98 0.00 0.00 173.24 174.50 1j3z h PRO 4 N -0.21 0.50 -0.46 4.02 0.11 -1.99 -1.11 132.00 132.86 1j3z h PRO 4 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1j3z h PRO 4 Cb 1.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1j3z h PRO 4 CO 0.59 0.33 -0.12 0.00 -0.21 0.00 0.00 178.00 178.59 1j3z h ALA 5 N 1.61 0.93 -0.61 -0.75 0.00 -2.00 -1.58 119.26 116.87 1j3z h ALA 5 Ca 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j3z h ALA 5 Cb 1.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1j3z h ALA 5 CO -0.20 0.62 0.37 -0.44 0.00 0.00 0.00 179.25 179.59 1j3z h ASP 6 N 0.75 0.73 -0.68 0.00 3.32 -1.60 -2.14 116.42 116.80 1j3z h ASP 6 Ca 0.12 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1j3z h ASP 6 Cb 0.63 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1j3z h ASP 6 CO 0.04 0.57 0.26 0.11 -1.72 0.00 0.00 179.24 178.51 1j3z h LYS 7 N 0.82 1.02 -0.48 3.56 1.57 -0.95 0.29 116.57 122.41 1j3z h LYS 7 Ca 0.22 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1j3z h LYS 7 Cb -0.02 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.07 1j3z h LYS 7 CO -0.04 0.86 0.17 1.15 -0.57 0.00 0.00 179.45 181.01 1j3z h THR 8 N 0.97 0.83 -0.59 -0.16 2.02 -1.15 -1.02 112.91 113.81 1j3z h THR 8 Ca 0.23 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 1j3z h THR 8 Cb 0.22 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1j3z h THR 8 CO -0.02 0.06 -0.03 0.78 0.37 0.00 0.00 175.52 176.68 1j3z h ASN 9 N 0.34 1.06 -0.18 4.18 2.35 -0.66 -2.22 115.58 120.45 1j3z h ASN 9 Ca 0.23 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1j3z h ASN 9 Cb 0.24 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1j3z h ASN 9 CO -0.24 1.12 -0.02 0.58 -1.65 0.00 0.00 177.43 177.23 1j3z h VAL 10 N 0.97 1.27 -0.71 2.81 2.07 -0.73 -1.08 116.25 120.86 1j3z h VAL 10 Ca 0.16 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1j3z h VAL 10 Cb 0.60 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1j3z h VAL 10 CO 0.04 0.28 0.45 0.11 0.02 0.00 0.00 177.57 178.47 1j3z h LYS 11 N 0.05 0.88 -0.04 1.57 1.57 -1.17 -0.10 116.57 119.33 1j3z h LYS 11 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1j3z h LYS 11 Cb 0.43 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1j3z h LYS 11 CO 0.01 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.48 1j3z h ALA 12 N 1.28 0.06 -0.50 3.86 0.00 -1.31 -1.63 119.26 121.02 1j3z h ALA 12 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j3z h ALA 12 Cb -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1j3z h ALA 12 CO -0.09 -0.29 0.31 0.00 0.00 0.00 0.00 179.25 179.19 1j3z h ALA 13 N 0.74 0.63 -0.04 0.00 0.00 -0.97 -2.31 119.26 117.32 1j3z h ALA 13 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1j3z h ALA 13 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j3z h ALA 13 CO 0.00 0.10 -0.45 2.35 0.00 0.00 0.00 179.25 181.26 1j3z h TRP 14 N 0.67 0.10 -0.58 0.00 2.91 -1.05 -2.04 115.95 115.96 1j3z h TRP 14 Ca 0.18 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.19 1j3z h TRP 14 Cb -0.04 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.55 1j3z h TRP 14 CO -0.03 0.52 0.36 0.78 -1.03 0.00 0.00 178.44 179.04 1j3z h GLY 15 N 1.33 0.83 1.04 2.65 0.00 -0.98 -1.38 103.07 106.55 1j3z h GLY 15 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1j3z h GLY 15 CO 0.06 0.24 0.11 1.70 0.00 0.00 0.00 176.54 178.65 1j3z h LYS 16 N 0.72 1.01 -0.38 4.80 1.63 -1.04 -2.61 116.57 120.70 1j3z h LYS 16 Ca 0.23 -0.27 0.08 0.00 -0.85 0.00 0.00 60.65 59.84 1j3z h LYS 16 Cb -0.01 -0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 31.43 1j3z h LYS 16 CO -0.09 0.94 -0.12 0.28 -3.45 0.00 0.00 179.45 177.02 1j3z h VAL 17 N 0.92 0.58 0.00 2.00 2.07 -1.02 -3.46 116.25 117.33 1j3z h VAL 17 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1j3z h VAL 17 Cb 0.42 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1j3z h VAL 17 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1j3z n GLY 18 N -1.31 2.99 0.00 2.17 0.00 -0.55 -1.77 105.19 106.71 1j3z n GLY 18 Ca 0.02 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1j3z n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3z n ALA 19 N 9.30 1.88 1.42 4.61 0.00 -1.26 -1.90 120.51 134.55 1j3z n ALA 19 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1j3z n ALA 19 Cb 0.00 -1.26 0.74 0.00 0.00 0.00 0.00 19.45 18.93 1j3z n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3z n HIS 20 N -1.28 0.00 -0.11 0.00 -0.00 -0.73 -4.30 115.22 108.79 1j3z n HIS 20 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.74 1j3z n HIS 20 Cb 0.13 -0.24 0.01 0.00 -0.00 0.00 0.00 29.99 29.88 1j3z n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j3z h ALA 21 N 3.42 0.19 -0.40 -1.41 0.00 -1.53 -1.10 119.26 118.41 1j3z h ALA 21 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1j3z h ALA 21 Cb 0.22 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1j3z h ALA 21 CO 0.00 -0.50 0.18 0.78 0.00 0.00 0.00 179.25 179.71 1j3z h GLY 22 N -0.05 0.54 0.70 0.00 0.00 -1.86 0.13 103.07 102.53 1j3z h GLY 22 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1j3z h GLY 22 CO -0.42 0.07 0.16 -2.09 0.00 0.00 0.00 176.54 174.27 1j3z h GLU 23 N 0.37 0.33 -0.18 4.80 4.81 -1.71 -1.85 114.58 121.14 1j3z h GLU 23 Ca 0.18 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 1j3z h GLU 23 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1j3z h GLU 23 CO -0.15 0.22 -0.36 1.88 -0.73 0.00 0.00 179.01 179.87 1j3z h TYR 24 N 0.34 0.45 -0.29 0.92 0.05 -0.58 -1.07 116.97 116.79 1j3z h TYR 24 Ca 0.18 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1j3z h TYR 24 Cb 0.13 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1j3z h TYR 24 CO -0.13 0.70 0.17 0.78 -1.05 0.00 0.00 178.16 178.63 1j3z h GLY 25 N 1.11 0.41 1.00 3.88 0.00 -0.42 0.37 103.07 109.43 1j3z h GLY 25 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1j3z h GLY 25 CO 0.06 0.17 0.38 0.00 0.00 0.00 0.00 176.54 177.15 1j3z h ALA 26 N 1.07 0.82 -0.70 3.60 0.00 -1.07 -1.86 119.26 121.12 1j3z h ALA 26 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1j3z h ALA 26 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1j3z h ALA 26 CO -0.02 0.31 0.33 1.49 0.00 0.00 0.00 179.25 181.35 1j3z h GLU 27 N 0.87 1.01 -0.85 0.00 4.81 -0.97 -0.93 114.58 118.52 1j3z h GLU 27 Ca 0.23 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1j3z h GLU 27 Cb -0.01 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1j3z h GLU 27 CO -0.04 0.80 0.46 0.00 -0.73 0.00 0.00 179.01 179.50 1j3z h ALA 28 N 1.16 1.08 -0.33 2.92 0.00 -0.68 0.15 119.26 123.56 1j3z h ALA 28 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1j3z h ALA 28 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1j3z h ALA 28 CO -0.03 0.60 0.05 -0.07 0.00 0.00 0.00 179.25 179.80 1j3z h LEU 29 N 1.18 0.53 -0.34 0.00 3.38 -0.97 -0.60 115.31 118.50 1j3z h LEU 29 Ca 0.30 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1j3z h LEU 29 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1j3z h LEU 29 CO -0.05 0.66 0.14 -0.08 0.09 0.00 0.00 178.44 179.21 1j3z h GLU 30 N 0.38 0.30 -0.98 1.13 4.81 -0.81 -0.40 114.58 119.00 1j3z h GLU 30 Ca 0.10 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1j3z h GLU 30 Cb 0.36 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1j3z h GLU 30 CO 0.01 0.20 0.64 0.00 -0.73 0.00 0.00 179.01 179.13 1j3z h ARG 31 N 0.31 1.23 -0.31 1.92 3.08 -0.56 -2.08 114.38 117.97 1j3z h ARG 31 Ca 0.15 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1j3z h ARG 31 Cb 0.10 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1j3z h ARG 31 CO -0.13 0.81 -0.10 1.98 -1.07 0.00 0.00 179.97 181.46 1j3z h MET 32 N 1.27 0.62 -0.66 0.04 4.05 -0.49 0.36 114.93 120.12 1j3z h MET 32 Ca 0.38 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.50 1j3z h MET 32 Cb -0.05 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1j3z h MET 32 CO -0.11 0.82 0.22 0.74 0.23 0.00 0.00 176.91 178.81 1j3z h PHE 33 N 0.39 1.02 -0.03 1.39 0.04 -0.88 0.56 116.94 119.44 1j3z h PHE 33 Ca 0.08 -0.09 -0.17 0.00 2.80 0.00 0.00 57.97 60.59 1j3z h PHE 33 Cb 0.61 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.47 1j3z h PHE 33 CO 0.05 0.81 -0.63 -0.07 -0.60 0.00 0.00 178.31 177.87 1j3z h LEU 34 N 0.97 0.61 0.04 1.54 3.38 -1.31 -3.28 115.31 117.25 1j3z h LEU 34 Ca 0.22 -0.72 -0.23 0.00 0.09 0.00 0.00 57.88 57.23 1j3z h LEU 34 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1j3z h LEU 34 CO -0.01 1.25 -1.09 0.28 0.09 0.00 0.00 178.44 178.95 1j3z h SER 35 N 0.02 0.17 -2.28 -0.43 0.02 -0.83 -3.38 113.55 106.84 1j3z h SER 35 Ca -0.07 -0.18 -0.59 0.00 -0.84 0.00 0.00 61.79 60.11 1j3z h SER 35 Cb 1.32 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.40 1j3z h SER 35 CO 0.13 1.14 -0.85 0.49 -1.14 0.00 0.00 176.83 176.60 1j3z n PHE 36 N -3.43 1.31 0.29 3.45 3.72 0.18 -4.99 117.46 117.99 1j3z n PHE 36 Ca -0.03 -3.81 0.18 0.00 -0.05 0.00 0.00 57.45 53.74 1j3z n PHE 36 Cb 0.97 -0.35 0.98 0.00 -0.94 0.00 0.00 39.48 40.14 1j3z n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1j3z h PRO 37 N 4.55 0.00 -0.01 -1.08 0.11 -1.73 -0.05 132.00 133.78 1j3z h PRO 37 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1j3z h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1j3z h PRO 37 CO 0.60 0.00 0.02 1.79 -0.21 0.00 0.00 178.00 180.20 1j3z h THR 38 N 0.00 0.43 0.00 -1.15 1.35 -1.91 -1.07 112.91 110.57 1j3z h THR 38 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1j3z h THR 38 Cb 0.21 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1j3z h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1j3z h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.31 -2.08 112.91 117.69 1j3z h THR 39 Ca 0.01 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1j3z h THR 39 Cb 0.05 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1j3z h THR 39 CO -0.00 0.00 -0.01 0.11 -0.25 0.00 0.00 175.52 175.37 1j3z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.38 -2.38 116.57 119.10 1j3z h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3z h LYS 40 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1j3z h LYS 40 CO 0.00 0.01 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1j3z h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.53 -0.48 112.91 112.08 1j3z h THR 41 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1j3z h THR 41 Cb 0.34 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1j3z h THR 41 CO 0.00 0.00 -0.43 -1.22 -0.25 0.00 0.00 175.52 173.62 1j3z n TYR 42 N -2.78 0.00 -2.30 4.73 4.01 -0.90 -4.35 117.16 115.57 1j3z n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1j3z n TYR 42 Cb 0.09 -0.28 0.03 0.00 -0.31 0.00 0.00 39.34 38.86 1j3z n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j3z n PHE 43 N -1.48 2.40 0.28 -0.72 3.01 -0.19 -4.82 117.46 115.93 1j3z n PHE 43 Ca 0.06 -2.34 0.16 0.00 1.01 0.00 0.00 57.45 56.35 1j3z n PHE 43 Cb 0.34 -0.28 0.61 0.00 -0.01 0.00 0.00 39.48 40.14 1j3z n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1j3z h PRO 44 N 2.37 0.00 0.00 -1.08 0.13 -1.75 -1.45 132.00 130.22 1j3z h PRO 44 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1j3z h PRO 44 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1j3z h PRO 44 CO 0.62 0.00 -0.15 -2.39 -0.23 0.00 0.00 178.00 175.85 1j3z n HIS 45 N -3.06 0.09 -2.87 1.56 1.44 -1.26 -4.88 115.22 106.25 1j3z n HIS 45 Ca 0.01 0.03 -0.31 0.00 -2.01 0.00 0.00 57.72 55.44 1j3z n HIS 45 Cb 0.33 -0.48 -0.03 0.00 0.12 0.00 0.00 29.99 29.93 1j3z n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j3z s PHE 46 N -3.01 3.46 -0.37 -1.40 0.40 -0.55 -5.04 117.98 111.46 1j3z s PHE 46 Ca 0.13 1.08 -0.28 0.00 -0.60 0.00 0.00 56.93 57.25 1j3z s PHE 46 Cb 0.18 -2.46 0.02 0.00 0.51 0.00 0.00 43.02 41.26 1j3z s PHE 46 CO 0.59 -0.10 1.05 0.34 0.70 0.00 0.00 175.22 177.80 1j3z s ASP 47 N -3.06 6.78 -0.11 1.36 2.15 -1.26 -4.92 116.67 117.62 1j3z s ASP 47 Ca 0.52 0.77 0.17 0.00 0.43 0.00 0.00 52.55 54.43 1j3z s ASP 47 Cb -0.10 -2.52 0.61 0.00 -0.30 0.00 0.00 42.92 40.60 1j3z s ASP 47 CO 0.30 -0.97 1.52 0.18 -0.17 0.00 0.00 175.17 176.03 1j3z n LEU 48 N 7.08 4.26 -4.69 -1.34 4.77 -1.26 -4.37 117.00 121.45 1j3z n LEU 48 Ca 0.11 -2.48 -0.32 0.00 -0.03 0.00 0.00 56.01 53.29 1j3z n LEU 48 Cb 0.48 -0.51 0.14 0.00 -2.33 0.00 0.00 43.42 41.21 1j3z n LEU 48 CO 0.62 0.77 0.71 -0.94 -1.33 0.00 0.00 177.39 177.22 1j3z s SER 49 N -1.12 3.32 0.08 -1.43 1.04 -1.26 -4.87 113.70 109.46 1j3z s SER 49 Ca 0.44 2.20 -0.35 0.00 0.48 0.00 0.00 55.95 58.72 1j3z s SER 49 Cb 0.29 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.70 1j3z s SER 49 CO 0.20 -2.84 1.60 1.57 0.98 0.00 0.00 173.24 174.75 1j3z n HIS 50 N -3.85 2.14 -1.13 5.02 -0.00 -1.26 -1.33 115.22 114.81 1j3z n HIS 50 Ca 0.12 0.30 -0.05 0.00 0.46 0.00 0.00 57.72 58.55 1j3z n HIS 50 Cb 0.52 -2.52 -0.02 0.00 -0.12 0.00 0.00 29.99 27.84 1j3z n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3z n GLY 51 N 3.47 0.68 3.64 1.57 0.00 -1.26 -4.93 105.19 108.36 1j3z n GLY 51 Ca 0.19 -0.28 -0.61 0.00 0.00 0.00 0.00 46.02 45.31 1j3z n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3z n SER 52 N -0.03 1.09 0.09 1.61 2.88 -0.44 -4.84 113.62 113.98 1j3z n SER 52 Ca -0.05 1.15 0.02 0.00 -1.33 0.00 0.00 58.87 58.66 1j3z n SER 52 Cb 0.27 -0.98 0.36 0.00 -0.75 0.00 0.00 64.21 63.11 1j3z n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3z h ALA 53 N 4.70 1.45 -0.39 -1.46 0.00 -1.90 -1.15 119.26 120.51 1j3z h ALA 53 Ca -0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1j3z h ALA 53 Cb 1.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1j3z h ALA 53 CO 0.85 0.38 0.12 0.37 0.00 0.00 0.00 179.25 180.97 1j3z h GLN 54 N 0.28 0.60 -0.33 0.00 4.15 -1.88 0.56 115.11 118.49 1j3z h GLN 54 Ca 0.06 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1j3z h GLN 54 Cb 0.39 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1j3z h GLN 54 CO 0.02 0.61 0.13 0.28 -1.93 0.00 0.00 178.83 177.95 1j3z h VAL 55 N 0.48 1.18 -0.74 2.39 2.07 -1.68 -1.30 116.25 118.65 1j3z h VAL 55 Ca 0.12 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1j3z h VAL 55 Cb 0.26 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1j3z h VAL 55 CO -0.00 0.19 0.46 0.11 0.02 0.00 0.00 177.57 178.35 1j3z h LYS 56 N 0.38 0.86 -0.61 1.57 1.57 -1.01 0.85 116.57 120.17 1j3z h LYS 56 Ca 0.11 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1j3z h LYS 56 Cb 0.18 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1j3z h LYS 56 CO -0.01 0.57 0.30 0.78 -0.57 0.00 0.00 179.45 180.51 1j3z h GLY 57 N 0.88 0.95 1.28 3.86 0.00 -0.70 -2.05 103.07 107.29 1j3z h GLY 57 Ca 0.30 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1j3z h GLY 57 CO -0.13 0.45 -0.01 0.84 0.00 0.00 0.00 176.54 177.69 1j3z h HIS 58 N 0.84 0.93 -0.65 5.60 -0.00 -0.58 -2.61 115.15 118.69 1j3z h HIS 58 Ca 0.21 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1j3z h HIS 58 Cb 0.12 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1j3z h HIS 58 CO 0.00 0.85 0.35 0.78 -0.00 0.00 0.00 177.93 179.91 1j3z h GLY 59 N 0.99 0.96 1.01 5.26 0.00 -0.49 -0.72 103.07 110.08 1j3z h GLY 59 Ca 0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1j3z h GLY 59 CO 0.02 0.41 0.48 1.70 0.00 0.00 0.00 176.54 179.15 1j3z h LYS 60 N 0.91 1.12 -0.36 4.80 3.64 -1.03 0.06 116.57 125.70 1j3z h LYS 60 Ca 0.23 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1j3z h LYS 60 Cb 0.03 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1j3z h LYS 60 CO -0.04 0.80 -0.01 0.87 -2.27 0.00 0.00 179.45 178.80 1j3z h LYS 61 N 1.12 0.64 -0.33 1.90 1.57 -0.98 -0.32 116.57 120.17 1j3z h LYS 61 Ca 0.29 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1j3z h LYS 61 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1j3z h LYS 61 CO -0.05 0.76 0.18 0.28 -0.57 0.00 0.00 179.45 180.04 1j3z h VAL 62 N 0.45 1.01 -0.68 0.50 2.07 -1.00 -1.69 116.25 116.92 1j3z h VAL 62 Ca 0.10 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1j3z h VAL 62 Cb 0.47 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1j3z h VAL 62 CO 0.02 0.07 0.38 0.00 0.02 0.00 0.00 177.57 178.06 1j3z h ALA 63 N 1.16 0.86 -0.52 1.67 0.00 -0.81 -1.60 119.26 120.02 1j3z h ALA 63 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1j3z h ALA 63 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1j3z h ALA 63 CO -0.08 0.37 0.04 -0.44 0.00 0.00 0.00 179.25 179.14 1j3z h ASP 64 N 0.92 0.82 -0.64 0.00 3.32 -0.80 0.06 116.42 120.11 1j3z h ASP 64 Ca 0.24 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1j3z h ASP 64 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1j3z h ASP 64 CO -0.04 0.86 0.26 0.00 -1.72 0.00 0.00 179.24 178.60 1j3z h ALA 65 N 1.24 0.83 -0.61 3.45 0.00 -0.88 -0.73 119.26 122.56 1j3z h ALA 65 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1j3z h ALA 65 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j3z h ALA 65 CO 0.02 0.45 0.08 -0.07 0.00 0.00 0.00 179.25 179.73 1j3z h LEU 66 N 0.90 0.99 -0.66 0.00 3.38 -0.78 -0.64 115.31 118.50 1j3z h LEU 66 Ca 0.21 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1j3z h LEU 66 Cb 0.20 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1j3z h LEU 66 CO -0.02 1.00 0.42 0.74 0.09 0.00 0.00 178.44 180.67 1j3z h THR 67 N 0.93 1.11 -0.73 0.22 2.02 -0.72 -0.11 112.91 115.64 1j3z h THR 67 Ca 0.18 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1j3z h THR 67 Cb 0.45 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1j3z h THR 67 CO 0.01 0.15 0.47 -1.13 0.37 0.00 0.00 175.52 175.39 1j3z h ASN 68 N 0.83 0.84 -0.60 4.18 -1.24 -0.96 -1.51 115.58 117.13 1j3z h ASN 68 Ca 0.26 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 1j3z h ASN 68 Cb -0.02 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 1j3z h ASN 68 CO -0.09 0.63 0.14 0.00 -1.29 0.00 0.00 177.43 176.82 1j3z h ALA 69 N 1.25 1.05 -0.54 1.57 0.00 -0.16 -1.21 119.26 121.21 1j3z h ALA 69 Ca 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1j3z h ALA 69 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1j3z h ALA 69 CO -0.05 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.14 1j3z h VAL 70 N 0.96 1.26 0.00 0.00 2.07 -0.84 -0.84 116.25 118.86 1j3z h VAL 70 Ca 0.20 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1j3z h VAL 70 Cb 0.37 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1j3z h VAL 70 CO 0.00 0.37 -0.10 0.00 0.02 0.00 0.00 177.57 177.86 1j3z h ALA 71 N 0.97 1.09 -0.57 1.67 0.00 -0.84 -3.02 119.26 118.56 1j3z h ALA 71 Ca 0.16 -0.09 -0.41 0.00 0.00 0.00 0.00 54.91 54.56 1j3z h ALA 71 Cb 0.47 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 17.88 1j3z h ALA 71 CO 0.02 0.13 -0.84 0.72 0.00 0.00 0.00 179.25 179.28 1j3z n HIS 72 N -3.34 2.04 0.32 0.00 8.25 -0.50 -4.89 115.22 117.10 1j3z n HIS 72 Ca -0.01 -2.05 0.20 0.00 -0.26 0.00 0.00 57.72 55.60 1j3z n HIS 72 Cb 0.30 -0.30 1.06 0.00 1.12 0.00 0.00 29.99 32.16 1j3z n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1j3z h VAL 73 N 2.79 0.15 0.00 1.59 3.04 -1.03 0.13 116.25 122.91 1j3z h VAL 73 Ca 0.21 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1j3z h VAL 73 Cb 1.44 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1j3z h VAL 73 CO 0.54 0.01 -0.19 0.47 -1.01 0.00 0.00 177.57 177.39 1j3z n ASP 74 N -3.28 0.65 -2.79 3.17 8.00 -1.26 -4.24 116.55 116.80 1j3z n ASP 74 Ca -0.02 0.40 -0.02 0.00 0.71 0.00 0.00 54.79 55.85 1j3z n ASP 74 Cb 0.12 -0.45 0.05 0.00 -0.02 0.00 0.00 41.12 40.82 1j3z n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j3z n ASP 75 N -2.07 1.52 -0.25 -2.24 2.03 0.41 -4.96 116.55 110.99 1j3z n ASP 75 Ca 0.05 -2.20 -0.06 0.00 0.52 0.00 0.00 54.79 53.11 1j3z n ASP 75 Cb 0.41 -0.48 0.09 0.00 -0.72 0.00 0.00 41.12 40.41 1j3z n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1j3z h MET 76 N 2.70 1.10 -0.84 -0.67 2.86 -1.66 -2.11 114.93 116.31 1j3z h MET 76 Ca -0.13 -0.23 0.15 0.00 -2.06 0.00 0.00 59.70 57.42 1j3z h MET 76 Cb 1.25 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.68 1j3z h MET 76 CO 0.26 0.94 0.55 -1.35 1.06 0.00 0.00 176.91 178.37 1j3z h PRO 77 N 1.06 0.57 0.00 -0.22 0.11 -1.93 -0.58 132.00 131.01 1j3z h PRO 77 Ca 0.23 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1j3z h PRO 77 Cb 0.30 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.29 1j3z h PRO 77 CO -0.01 0.37 -0.32 -0.91 -0.21 0.00 0.00 178.00 176.93 1j3z h ASN 78 N 0.58 0.28 -0.69 -2.05 4.21 -1.88 -3.02 115.58 113.01 1j3z h ASN 78 Ca 0.42 -0.78 0.01 0.00 1.21 0.00 0.00 56.30 57.16 1j3z h ASN 78 Cb 0.78 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.86 1j3z h ASN 78 CO -0.17 1.02 0.46 0.00 -1.29 0.00 0.00 177.43 177.45 1j3z h ALA 79 N 0.26 1.52 -0.69 -0.83 0.00 -1.06 -2.71 119.26 115.76 1j3z h ALA 79 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j3z h ALA 79 Cb 1.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1j3z h ALA 79 CO 0.06 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1j3z n LEU 80 N -4.43 4.28 -0.13 0.00 4.77 -0.25 -4.70 117.00 116.53 1j3z n LEU 80 Ca 0.07 -2.19 -0.05 0.00 -0.03 0.00 0.00 56.01 53.81 1j3z n LEU 80 Cb 0.05 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.65 1j3z n LEU 80 CO 0.36 0.91 0.92 -1.28 -1.33 0.00 0.00 177.39 176.96 1j3z h SER 81 N 4.13 0.04 0.03 -1.43 0.87 -1.34 0.12 113.55 115.98 1j3z h SER 81 Ca 0.00 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1j3z h SER 81 Cb 1.18 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1j3z h SER 81 CO 0.10 0.06 -0.32 0.00 -0.53 0.00 0.00 176.83 176.14 1j3z h ALA 82 N 1.30 1.07 -0.15 6.23 0.00 -1.84 -1.39 119.26 124.48 1j3z h ALA 82 Ca 0.20 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1j3z h ALA 82 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1j3z h ALA 82 CO -0.25 0.58 -0.64 1.25 0.00 0.00 0.00 179.25 180.19 1j3z h LEU 83 N 0.36 0.64 -0.62 0.00 5.85 -1.63 -1.39 115.31 118.52 1j3z h LEU 83 Ca 0.05 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 1j3z h LEU 83 Cb 0.75 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1j3z h LEU 83 CO 0.06 1.11 0.20 -1.28 -0.34 0.00 0.00 178.44 178.19 1j3z h SER 84 N 0.41 0.90 -0.40 1.25 0.87 -0.61 -1.57 113.55 114.40 1j3z h SER 84 Ca -0.01 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1j3z h SER 84 Cb 1.20 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 1j3z h SER 84 CO 0.12 0.87 0.24 0.44 -0.53 0.00 0.00 176.83 177.96 1j3z h ASP 85 N 0.89 0.38 -0.03 6.23 3.32 -1.09 -1.63 116.42 124.49 1j3z h ASP 85 Ca 0.20 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1j3z h ASP 85 Cb 0.28 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1j3z h ASP 85 CO -0.01 0.28 0.01 0.25 -1.72 0.00 0.00 179.24 178.05 1j3z h LEU 86 N 0.48 0.03 -0.86 1.55 5.85 -1.03 -0.20 115.31 121.14 1j3z h LEU 86 Ca 0.16 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1j3z h LEU 86 Cb 0.01 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1j3z h LEU 86 CO -0.07 0.13 -0.12 0.45 -0.34 0.00 0.00 178.44 178.48 1j3z h HIS 87 N -0.06 0.79 -0.19 1.25 3.86 -1.25 -1.04 115.15 118.51 1j3z h HIS 87 Ca 0.01 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 1j3z h HIS 87 Cb 0.10 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 1j3z h HIS 87 CO -0.04 0.80 -0.27 0.00 0.86 0.00 0.00 177.93 179.28 1j3z h ALA 88 N 1.21 0.29 0.00 2.45 0.00 -1.11 0.26 119.26 122.37 1j3z h ALA 88 Ca 0.11 -0.39 -0.35 0.00 0.00 0.00 0.00 54.91 54.27 1j3z h ALA 88 Cb 0.58 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1j3z h ALA 88 CO 0.04 0.29 -2.33 0.72 0.00 0.00 0.00 179.25 177.97 1j3z n HIS 89 N -4.37 0.00 -0.04 0.00 8.25 -0.10 -4.39 115.22 114.57 1j3z n HIS 89 Ca -0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.35 1j3z n HIS 89 Cb 0.46 -0.94 -0.02 0.00 1.12 0.00 0.00 29.99 30.60 1j3z n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1j3z n LYS 90 N -2.80 0.30 -0.10 -0.41 4.81 -0.61 -4.78 118.16 114.58 1j3z n LYS 90 Ca -0.33 0.12 -0.12 0.00 -0.87 0.00 0.00 58.31 57.11 1j3z n LYS 90 Cb 1.09 -1.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.10 1j3z n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1j3z h LEU 91 N -0.57 0.63 -1.18 3.14 3.38 -1.32 -3.47 115.31 115.92 1j3z h LEU 91 Ca 0.00 -0.41 -0.39 0.00 0.09 0.00 0.00 57.88 57.16 1j3z h LEU 91 Cb 0.57 -0.18 0.12 0.00 0.09 0.00 0.00 40.66 41.26 1j3z h LEU 91 CO 0.00 0.91 -0.73 0.54 0.09 0.00 0.00 178.44 179.25 1j3z n ARG 92 N -4.40 -7.00 -2.43 1.13 1.74 0.91 -4.94 116.66 101.68 1j3z n ARG 92 Ca -0.03 0.78 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 1j3z n ARG 92 Cb 0.38 -5.76 -0.03 0.00 -1.02 0.00 0.00 32.46 26.03 1j3z n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j3z s VAL 93 N -3.36 4.14 0.23 1.55 1.01 -1.25 -4.96 120.40 117.76 1j3z s VAL 93 Ca 0.38 1.50 -0.32 0.00 0.00 0.00 0.00 61.98 63.55 1j3z s VAL 93 Cb -0.17 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 1j3z s VAL 93 CO 0.75 0.05 1.44 -0.67 0.00 0.00 0.00 175.10 176.67 1j3z n ASP 94 N 4.66 2.83 -0.08 3.32 -0.08 -1.26 -4.83 116.55 121.10 1j3z n ASP 94 Ca 0.10 1.13 0.26 0.00 -1.51 0.00 0.00 54.79 54.77 1j3z n ASP 94 Cb 0.46 -1.43 0.71 0.00 2.34 0.00 0.00 41.12 43.20 1j3z n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j3z h PRO 95 N 4.47 0.00 0.00 -0.67 0.11 -2.00 -1.95 132.00 131.96 1j3z h PRO 95 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j3z h PRO 95 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1j3z h PRO 95 CO 0.78 0.00 -0.00 -0.39 -0.21 0.00 0.00 178.00 178.17 1j3z h VAL 96 N 0.00 0.56 0.00 3.15 -1.51 -2.04 -2.37 116.25 114.04 1j3z h VAL 96 Ca 0.35 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.78 1j3z h VAL 96 Cb 1.60 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1j3z h VAL 96 CO -0.00 0.00 -0.09 0.78 -1.23 0.00 0.00 177.57 177.03 1j3z h ASN 97 N 0.00 0.00 -0.06 4.19 4.21 -1.71 -3.08 115.58 119.13 1j3z h ASN 97 Ca -0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1j3z h ASN 97 Cb 0.01 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1j3z h ASN 97 CO 0.00 0.09 -0.10 -0.26 -1.29 0.00 0.00 177.43 175.87 1j3z h PHE 98 N 0.00 0.37 0.00 1.19 -1.00 -1.61 -1.21 116.94 114.67 1j3z h PHE 98 Ca -0.00 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 1j3z h PHE 98 Cb 0.77 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 1j3z h PHE 98 CO 0.00 0.46 -0.37 0.87 -1.61 0.00 0.00 178.31 177.66 1j3z h LYS 99 N 0.33 0.00 -0.03 1.51 1.57 -1.72 -0.77 116.57 117.47 1j3z h LYS 99 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1j3z h LYS 99 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1j3z h LYS 99 CO 0.02 0.37 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.86 1j3z h LEU 100 N 0.00 0.34 -0.75 2.94 3.38 -1.36 -1.57 115.31 118.30 1j3z h LEU 100 Ca -0.00 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 1j3z h LEU 100 Cb 0.71 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1j3z h LEU 100 CO 0.05 1.01 0.38 0.25 0.09 0.00 0.00 178.44 180.21 1j3z h LEU 101 N -0.29 0.96 -0.72 1.67 5.85 -1.34 -2.03 115.31 119.41 1j3z h LEU 101 Ca -0.03 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1j3z h LEU 101 Cb 1.03 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1j3z h LEU 101 CO 0.07 0.81 0.45 0.28 -0.34 0.00 0.00 178.44 179.71 1j3z h SER 102 N 1.05 0.85 -0.55 1.25 0.02 -1.08 0.44 113.55 115.54 1j3z h SER 102 Ca 0.26 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1j3z h SER 102 Cb 0.09 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1j3z h SER 102 CO -0.04 0.65 0.35 -0.74 -1.14 0.00 0.00 176.83 175.91 1j3z h HIS 103 N 0.98 0.70 -0.24 3.45 -0.00 -1.13 -0.75 115.15 118.16 1j3z h HIS 103 Ca 0.26 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.54 1j3z h HIS 103 Cb -0.06 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 1j3z h HIS 103 CO -0.02 0.47 -0.25 0.00 -0.00 0.00 0.00 177.93 178.13 1j3z h LEU 105 N 0.41 0.58 -0.43 0.00 3.38 -0.48 -1.15 115.31 117.61 1j3z h LEU 105 Ca 0.06 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1j3z h LEU 105 Cb 0.65 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1j3z h LEU 105 CO 0.05 0.53 0.25 -0.07 0.09 0.00 0.00 178.44 179.29 1j3z h LEU 106 N 0.58 0.39 -0.61 1.67 3.38 -0.59 -0.50 115.31 119.62 1j3z h LEU 106 Ca 0.15 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1j3z h LEU 106 Cb 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1j3z h LEU 106 CO -0.02 0.28 0.40 0.58 0.09 0.00 0.00 178.44 179.77 1j3z h VAL 107 N 0.50 1.13 -0.16 1.22 2.07 -0.93 0.14 116.25 120.22 1j3z h VAL 107 Ca 0.18 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1j3z h VAL 107 Cb 0.03 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1j3z h VAL 107 CO -0.09 0.15 0.10 0.74 0.02 0.00 0.00 177.57 178.49 1j3z h THR 108 N 0.80 1.04 -0.48 2.57 2.02 -0.90 -1.06 112.91 116.90 1j3z h THR 108 Ca 0.23 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.35 1j3z h THR 108 Cb -0.06 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1j3z h THR 108 CO -0.06 0.04 0.30 -0.07 0.37 0.00 0.00 175.52 176.09 1j3z h LEU 109 N 0.21 0.49 -0.66 2.58 3.38 -0.63 -2.45 115.31 118.23 1j3z h LEU 109 Ca 0.06 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1j3z h LEU 109 Cb -0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1j3z h LEU 109 CO -0.01 0.35 0.34 0.00 0.09 0.00 0.00 178.44 179.21 1j3z h ALA 110 N 1.20 0.88 0.00 1.53 0.00 -0.51 0.11 119.26 122.47 1j3z h ALA 110 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1j3z h ALA 110 Cb -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1j3z h ALA 110 CO -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.12 1j3z h ALA 111 N 1.37 1.06 -0.00 0.00 0.00 -0.76 -3.18 119.26 117.75 1j3z h ALA 111 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1j3z h ALA 111 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1j3z h ALA 111 CO -0.22 0.06 -0.17 0.72 0.00 0.00 0.00 179.25 179.64 1j3z n HIS 112 N -3.23 0.00 -3.06 0.00 -0.00 -0.77 -4.81 115.22 103.35 1j3z n HIS 112 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 1j3z n HIS 112 Cb 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.18 1j3z n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1j3z n LEU 113 N -0.79 3.59 -0.20 2.41 4.77 0.32 -4.95 117.00 122.15 1j3z n LEU 113 Ca 0.01 -5.50 0.00 0.00 -0.03 0.00 0.00 56.01 50.50 1j3z n LEU 113 Cb 0.09 -0.30 0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1j3z n LEU 113 CO 0.08 2.29 0.94 1.55 -1.33 0.00 0.00 177.39 180.92 1j3z h PRO 114 N 3.19 0.29 -0.02 3.23 0.13 -1.85 -1.64 132.00 135.33 1j3z h PRO 114 Ca 0.13 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 65.00 1j3z h PRO 114 Cb 0.62 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.70 1j3z h PRO 114 CO 0.75 0.19 -0.96 0.00 -0.23 0.00 0.00 178.00 177.75 1j3z h ALA 115 N 1.46 0.27 0.00 -0.56 0.00 -1.95 -3.37 119.26 115.11 1j3z h ALA 115 Ca 0.31 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1j3z h ALA 115 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1j3z h ALA 115 CO -0.38 0.74 -0.87 0.93 0.00 0.00 0.00 179.25 179.68 1j3z h GLU 116 N 0.33 0.00 -3.10 0.00 3.07 -1.88 -3.39 114.58 109.61 1j3z h GLU 116 Ca -0.10 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.06 1j3z h GLU 116 Cb 1.60 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.48 1j3z h GLU 116 CO 0.18 0.29 3.29 0.34 -1.40 0.00 0.00 179.01 181.71 1j3z n PHE 117 N -3.00 2.67 -1.40 4.33 7.35 -0.65 -4.75 117.46 122.01 1j3z n PHE 117 Ca -0.02 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.37 1j3z n PHE 117 Cb 0.72 -2.32 0.11 0.00 0.35 0.00 0.00 39.48 38.35 1j3z n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j3z s THR 118 N 1.43 2.91 0.24 -2.13 -4.23 -1.26 -4.74 115.64 107.86 1j3z s THR 118 Ca 0.61 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 61.37 1j3z s THR 118 Cb 0.17 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 71.30 1j3z s THR 118 CO -0.07 -0.39 1.73 -0.65 -0.54 0.00 0.00 174.62 174.71 1j3z h PRO 119 N -1.28 0.45 -0.74 3.99 0.11 -1.99 0.13 132.00 132.67 1j3z h PRO 119 Ca -0.48 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1j3z h PRO 119 Cb 1.27 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1j3z h PRO 119 CO 0.57 0.30 0.36 0.00 -0.21 0.00 0.00 178.00 179.02 1j3z h ALA 120 N 1.54 0.95 -0.26 -0.75 0.00 -1.96 -0.67 119.26 118.11 1j3z h ALA 120 Ca 0.41 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 1j3z h ALA 120 Cb 0.61 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j3z h ALA 120 CO -0.39 0.51 -0.45 0.28 0.00 0.00 0.00 179.25 179.20 1j3z h VAL 121 N 1.04 1.30 -0.38 0.00 2.07 -1.70 -1.63 116.25 116.94 1j3z h VAL 121 Ca 0.26 -1.65 0.07 0.00 0.82 0.00 0.00 66.70 66.19 1j3z h VAL 121 Cb 0.11 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1j3z h VAL 121 CO -0.03 0.53 0.02 -0.74 0.02 0.00 0.00 177.57 177.36 1j3z h HIS 122 N 0.51 0.01 -0.53 1.57 6.17 -0.63 0.12 115.15 122.36 1j3z h HIS 122 Ca 0.02 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.12 1j3z h HIS 122 Cb 1.05 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 31.01 1j3z h HIS 122 CO 0.08 -0.05 0.32 0.00 0.71 0.00 0.00 177.93 178.98 1j3z h ALA 123 N 1.32 0.68 -0.52 5.26 0.00 -0.98 -0.60 119.26 124.42 1j3z h ALA 123 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1j3z h ALA 123 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1j3z h ALA 123 CO -0.29 0.17 0.04 0.77 0.00 0.00 0.00 179.25 179.93 1j3z h SER 124 N 0.72 0.87 -0.68 0.00 0.02 -0.85 -1.53 113.55 112.09 1j3z h SER 124 Ca 0.19 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1j3z h SER 124 Cb -0.00 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1j3z h SER 124 CO -0.04 0.94 0.14 -0.07 -1.14 0.00 0.00 176.83 176.66 1j3z h LEU 125 N 0.77 1.06 -0.38 5.07 3.38 -0.62 0.15 115.31 124.74 1j3z h LEU 125 Ca 0.15 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1j3z h LEU 125 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1j3z h LEU 125 CO 0.02 1.03 0.25 -0.78 0.09 0.00 0.00 178.44 179.05 1j3z h ASP 126 N 1.04 0.43 -0.84 -0.43 3.58 -0.92 -0.69 116.42 118.58 1j3z h ASP 126 Ca 0.21 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.67 1j3z h ASP 126 Cb 0.41 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1j3z h ASP 126 CO 0.01 0.31 0.55 0.11 -2.88 0.00 0.00 179.24 177.34 1j3z h LYS 127 N 0.51 1.07 -0.25 0.28 1.57 -1.08 -1.17 116.57 117.49 1j3z h LYS 127 Ca 0.14 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1j3z h LYS 127 Cb -0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 1j3z h LYS 127 CO -0.03 0.71 0.12 0.35 -0.57 0.00 0.00 179.45 180.03 1j3z h PHE 128 N 1.10 0.36 -0.34 -1.35 3.57 -0.51 0.51 116.94 120.29 1j3z h PHE 128 Ca 0.32 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1j3z h PHE 128 Cb -0.07 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1j3z h PHE 128 CO -0.02 0.33 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.17 1j3z h LEU 129 N 0.28 0.60 -0.88 0.59 3.38 -0.96 0.13 115.31 118.43 1j3z h LEU 129 Ca 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1j3z h LEU 129 Cb 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1j3z h LEU 129 CO -0.01 0.77 0.32 0.00 0.09 0.00 0.00 178.44 179.61 1j3z h ALA 130 N 1.28 1.12 -0.38 1.53 0.00 -0.95 -0.88 119.26 120.98 1j3z h ALA 130 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1j3z h ALA 130 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1j3z h ALA 130 CO 0.04 0.64 0.05 0.77 0.00 0.00 0.00 179.25 180.74 1j3z h SER 131 N 1.11 0.61 -0.43 0.00 0.02 -0.23 -0.20 113.55 114.43 1j3z h SER 131 Ca 0.26 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1j3z h SER 131 Cb 0.19 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1j3z h SER 131 CO -0.02 0.73 0.14 0.58 -1.14 0.00 0.00 176.83 177.11 1j3z h VAL 132 N 0.47 0.84 -0.88 2.27 2.07 -0.87 -1.45 116.25 118.71 1j3z h VAL 132 Ca 0.11 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1j3z h VAL 132 Cb 0.39 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1j3z h VAL 132 CO 0.01 0.05 0.51 0.28 0.02 0.00 0.00 177.57 178.45 1j3z h SER 133 N 0.29 1.07 -0.34 0.57 0.02 -0.94 -0.23 113.55 113.99 1j3z h SER 133 Ca 0.21 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1j3z h SER 133 Cb 0.22 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1j3z h SER 133 CO -0.23 0.83 0.22 0.74 -1.14 0.00 0.00 176.83 177.26 1j3z h THR 134 N 1.21 1.08 -0.39 -2.27 2.02 -0.65 -1.43 112.91 112.49 1j3z h THR 134 Ca 0.31 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1j3z h THR 134 Cb -0.02 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1j3z h THR 134 CO -0.06 0.08 0.18 0.58 0.37 0.00 0.00 175.52 176.68 1j3z h VAL 135 N 0.45 1.17 0.00 3.16 2.07 -0.77 -2.22 116.25 120.12 1j3z h VAL 135 Ca 0.12 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1j3z h VAL 135 Cb -0.05 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1j3z h VAL 135 CO -0.03 0.19 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 1j3z h LEU 136 N 0.48 0.00 -2.49 2.57 3.38 -0.76 -2.36 115.31 116.14 1j3z h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1j3z h LEU 136 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1j3z h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1j3z n THR 137 N -2.79 0.72 0.28 0.22 -2.24 -0.56 -4.46 114.28 105.45 1j3z n THR 137 Ca -0.00 -0.86 0.18 0.00 -2.27 0.00 0.00 64.05 61.09 1j3z n THR 137 Cb 0.19 0.73 0.74 0.00 -2.10 0.00 0.00 70.33 69.89 1j3z n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1j3z h SER 138 N 2.87 0.00 -0.34 3.42 4.64 -0.84 -3.00 113.55 120.30 1j3z h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3z h SER 138 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1j3z h SER 138 CO 0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1j3z n LYS 139 N -3.11 2.96 0.19 4.77 5.02 -1.26 -4.72 118.16 122.01 1j3z n LYS 139 Ca 0.00 -2.42 0.03 0.00 -2.02 0.00 0.00 58.31 53.90 1j3z n LYS 139 Cb 0.28 -1.54 0.37 0.00 -0.02 0.00 0.00 35.03 34.12 1j3z n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1j3z h TYR 140 N 2.09 0.00 0.00 2.13 -1.99 -1.84 -3.46 116.97 113.90 1j3z h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1j3z h TYR 140 Cb 1.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1j3z h TYR 140 CO 0.37 0.37 0.00 2.89 -0.00 0.00 0.00 178.16 181.79