#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 4.34 0.83 7.52 1.43 -1.26 -5.03 118.68 126.51 1j3z s LEU 2 Ca 0.00 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 1j3z s LEU 2 Cb 0.00 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.74 1j3z s LEU 2 CO 0.00 -0.44 1.11 -0.94 0.23 0.00 0.00 176.35 176.31 1j3z s SER 3 N 1.15 4.19 0.23 2.29 1.04 -1.26 -4.85 113.70 116.49 1j3z s SER 3 Ca 0.55 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 58.13 1j3z s SER 3 Cb -0.25 -1.89 0.38 0.00 0.10 0.00 0.00 66.02 64.36 1j3z s SER 3 CO 0.26 -2.15 1.76 -0.65 0.98 0.00 0.00 173.24 173.44 1j3z h PRO 4 N -1.21 0.52 -0.60 4.02 0.11 -2.00 -1.51 132.00 131.33 1j3z h PRO 4 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1j3z h PRO 4 Cb 1.29 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1j3z h PRO 4 CO 0.60 0.34 0.10 0.00 -0.21 0.00 0.00 178.00 178.83 1j3z h ALA 5 N 1.47 1.05 -0.46 -0.75 0.00 -1.99 -1.70 119.26 116.88 1j3z h ALA 5 Ca 0.37 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1j3z h ALA 5 Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1j3z h ALA 5 CO -0.32 0.61 0.28 -0.44 0.00 0.00 0.00 179.25 179.38 1j3z h ASP 6 N 0.91 0.47 -0.53 0.00 3.32 -1.74 -0.12 116.42 118.73 1j3z h ASP 6 Ca 0.19 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1j3z h ASP 6 Cb 0.39 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1j3z h ASP 6 CO 0.01 0.33 0.05 0.11 -1.72 0.00 0.00 179.24 178.02 1j3z h LYS 7 N 0.57 0.90 -0.55 3.56 1.57 -0.97 0.32 116.57 121.96 1j3z h LYS 7 Ca 0.18 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1j3z h LYS 7 Cb -0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1j3z h LYS 7 CO -0.07 0.90 0.32 1.15 -0.57 0.00 0.00 179.45 181.18 1j3z h THR 8 N 0.77 1.04 -0.53 -0.16 2.02 -1.09 -0.82 112.91 114.14 1j3z h THR 8 Ca 0.15 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1j3z h THR 8 Cb 0.46 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1j3z h THR 8 CO 0.02 0.12 0.12 0.78 0.37 0.00 0.00 175.52 176.93 1j3z h ASN 9 N 0.64 0.81 -0.18 4.18 -0.26 -0.56 -0.51 115.58 119.69 1j3z h ASN 9 Ca 0.23 -0.24 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1j3z h ASN 9 Cb 0.05 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1j3z h ASN 9 CO -0.11 0.84 -0.06 0.58 -1.06 0.00 0.00 177.43 177.61 1j3z h VAL 10 N 0.75 1.30 -0.73 2.81 2.07 -0.79 0.64 116.25 122.30 1j3z h VAL 10 Ca 0.17 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1j3z h VAL 10 Cb 0.34 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1j3z h VAL 10 CO 0.00 0.32 0.45 0.11 0.02 0.00 0.00 177.57 178.48 1j3z h LYS 11 N 0.06 0.98 -0.36 1.57 1.57 -1.09 0.24 116.57 119.53 1j3z h LYS 11 Ca 0.04 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1j3z h LYS 11 Cb 0.52 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1j3z h LYS 11 CO 0.02 0.68 0.07 0.00 -0.57 0.00 0.00 179.45 179.65 1j3z h ALA 12 N 1.24 0.48 -0.28 3.86 0.00 -0.95 0.47 119.26 124.08 1j3z h ALA 12 Ca 0.26 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1j3z h ALA 12 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1j3z h ALA 12 CO -0.05 0.17 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 1j3z h ALA 13 N 0.92 0.39 -0.05 0.00 0.00 -0.59 -1.50 119.26 118.42 1j3z h ALA 13 Ca 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1j3z h ALA 13 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1j3z h ALA 13 CO 0.01 0.21 -0.44 2.35 0.00 0.00 0.00 179.25 181.38 1j3z h TRP 14 N 0.30 0.14 -0.83 0.00 2.91 -0.99 -1.49 115.95 116.00 1j3z h TRP 14 Ca 0.07 -0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.08 1j3z h TRP 14 Cb 0.56 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.13 1j3z h TRP 14 CO 0.05 0.54 0.53 0.78 -1.03 0.00 0.00 178.44 179.32 1j3z h GLY 15 N 1.30 1.20 1.40 2.65 0.00 -0.65 -2.00 103.07 106.97 1j3z h GLY 15 Ca 0.01 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1j3z h GLY 15 CO 0.06 0.35 -0.51 0.50 0.00 0.00 0.00 176.54 176.94 1j3z h LYS 16 N 1.05 0.63 -0.56 4.80 1.79 -0.70 -2.62 116.57 120.96 1j3z h LYS 16 Ca 0.33 -0.38 0.11 0.00 -2.18 0.00 0.00 60.65 58.53 1j3z h LYS 16 Cb -0.01 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 30.59 1j3z h LYS 16 CO -0.11 0.99 0.03 0.28 -1.08 0.00 0.00 179.45 179.56 1j3z h VAL 17 N 0.49 0.58 0.00 0.50 2.07 -0.99 -3.44 116.25 115.46 1j3z h VAL 17 Ca 0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j3z h VAL 17 Cb 1.06 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1j3z h VAL 17 CO 0.10 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1j3z n GLY 18 N -1.33 3.36 0.02 2.17 0.00 -0.78 -1.31 105.19 107.32 1j3z n GLY 18 Ca 0.07 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 10.80 1.54 1.71 4.61 0.00 -1.26 -2.39 120.51 135.51 1j3z n ALA 19 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1j3z n ALA 19 Cb 0.00 -1.22 0.62 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.62 0.05 -0.19 0.00 8.25 -0.43 -4.35 115.22 116.93 1j3z n HIS 20 Ca 0.03 -0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1j3z n HIS 20 Cb 0.15 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.34 1j3z n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3z h ALA 21 N 3.98 0.72 -0.60 -1.41 0.00 -1.61 -0.14 119.26 120.21 1j3z h ALA 21 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1j3z h ALA 21 Cb 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1j3z h ALA 21 CO 0.00 -0.19 0.22 0.78 0.00 0.00 0.00 179.25 180.06 1j3z h GLY 22 N 0.40 0.98 0.83 0.00 0.00 -1.84 0.35 103.07 103.79 1j3z h GLY 22 Ca 0.28 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.09 1j3z h GLY 22 CO -0.27 0.52 0.38 0.83 0.00 0.00 0.00 176.54 177.99 1j3z h GLU 23 N 0.84 0.71 -0.04 4.80 5.08 -1.64 -1.99 114.58 122.33 1j3z h GLU 23 Ca 0.20 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 1j3z h GLU 23 Cb 0.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1j3z h GLU 23 CO -0.01 0.47 -0.69 1.88 -1.00 0.00 0.00 179.01 179.66 1j3z h TYR 24 N 0.73 0.28 -0.52 4.33 0.05 -0.50 -1.30 116.97 120.05 1j3z h TYR 24 Ca 0.26 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1j3z h TYR 24 Cb 0.06 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1j3z h TYR 24 CO -0.06 0.83 0.31 0.78 -1.05 0.00 0.00 178.16 178.97 1j3z h GLY 25 N 1.62 0.76 1.05 3.88 0.00 -0.69 -0.11 103.07 109.57 1j3z h GLY 25 Ca -0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1j3z h GLY 25 CO 0.11 0.32 0.04 0.00 0.00 0.00 0.00 176.54 177.00 1j3z h ALA 26 N 1.14 0.78 -0.67 3.60 0.00 -1.13 -1.96 119.26 121.02 1j3z h ALA 26 Ca 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1j3z h ALA 26 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1j3z h ALA 26 CO -0.03 0.58 0.28 1.49 0.00 0.00 0.00 179.25 181.57 1j3z h GLU 27 N 0.90 1.00 -0.58 0.00 4.81 -1.04 -0.65 114.58 119.01 1j3z h GLU 27 Ca 0.17 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1j3z h GLU 27 Cb 0.49 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1j3z h GLU 27 CO 0.02 0.83 0.22 0.00 -0.73 0.00 0.00 179.01 179.35 1j3z h ALA 28 N 1.12 0.76 -0.33 2.92 0.00 -0.79 0.24 119.26 123.18 1j3z h ALA 28 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j3z h ALA 28 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1j3z h ALA 28 CO -0.02 0.39 0.17 -0.07 0.00 0.00 0.00 179.25 179.71 1j3z h LEU 29 N 0.81 0.43 -0.57 0.00 3.38 -1.05 -0.34 115.31 117.96 1j3z h LEU 29 Ca 0.19 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1j3z h LEU 29 Cb 0.22 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1j3z h LEU 29 CO -0.01 0.42 0.33 -0.08 0.09 0.00 0.00 178.44 179.18 1j3z h GLU 30 N 0.41 0.62 -0.77 1.13 4.81 -0.86 -0.47 114.58 119.44 1j3z h GLU 30 Ca 0.12 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1j3z h GLU 30 Cb 0.10 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1j3z h GLU 30 CO -0.02 0.41 0.37 0.00 -0.73 0.00 0.00 179.01 179.05 1j3z h ARG 31 N 0.64 1.11 -0.26 1.92 3.08 -0.65 -2.02 114.38 118.19 1j3z h ARG 31 Ca 0.24 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1j3z h ARG 31 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1j3z h ARG 31 CO -0.13 0.85 0.06 1.98 -1.07 0.00 0.00 179.97 181.67 1j3z h MET 32 N 1.10 0.42 -0.30 0.04 4.05 -0.22 -0.11 114.93 119.92 1j3z h MET 32 Ca 0.27 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.51 1j3z h MET 32 Cb 0.11 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1j3z h MET 32 CO -0.03 0.52 -0.12 0.74 0.23 0.00 0.00 176.91 178.24 1j3z h PHE 33 N 0.25 0.55 0.07 1.39 0.04 -0.87 0.13 116.94 118.50 1j3z h PHE 33 Ca 0.08 -0.08 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 1j3z h PHE 33 Cb 0.29 -0.15 0.02 0.00 2.20 0.00 0.00 35.95 38.31 1j3z h PHE 33 CO 0.01 0.62 -0.97 -0.07 -0.60 0.00 0.00 178.31 177.30 1j3z h LEU 34 N 0.47 0.73 0.03 1.54 3.38 -1.28 -3.34 115.31 116.85 1j3z h LEU 34 Ca 0.09 -0.81 -0.25 0.00 0.09 0.00 0.00 57.88 57.00 1j3z h LEU 34 Cb 0.50 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1j3z h LEU 34 CO 0.03 1.46 -1.26 0.28 0.09 0.00 0.00 178.44 179.04 1j3z h SER 35 N 0.10 0.10 -2.61 -0.43 0.02 -0.88 -3.40 113.55 106.45 1j3z h SER 35 Ca -0.14 -0.13 -0.60 0.00 -0.84 0.00 0.00 61.79 60.08 1j3z h SER 35 Cb 1.67 -0.03 -0.40 0.00 0.14 0.00 0.00 62.40 63.77 1j3z h SER 35 CO 0.19 1.10 -0.76 0.49 -1.14 0.00 0.00 176.83 176.71 1j3z n PHE 36 N -3.32 1.59 0.24 3.45 3.72 0.46 -4.99 117.46 118.60 1j3z n PHE 36 Ca -0.07 -3.89 0.16 0.00 -0.05 0.00 0.00 57.45 53.61 1j3z n PHE 36 Cb 0.99 -0.30 0.86 0.00 -0.94 0.00 0.00 39.48 40.09 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 5.15 0.00 0.00 -1.08 0.11 -1.76 -1.02 132.00 133.40 1j3z h PRO 37 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 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 -0.03 1.79 -0.21 0.00 0.00 178.00 180.15 1j3z h THR 38 N 0.00 0.72 0.00 -1.15 1.35 -1.92 -1.30 112.91 110.62 1j3z h THR 38 Ca 0.05 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1j3z h THR 38 Cb 0.31 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1j3z h THR 38 CO -0.00 0.03 -0.05 0.71 -0.25 0.00 0.00 175.52 175.96 1j3z h THR 39 N 0.00 0.19 0.00 6.82 1.35 -1.51 -2.05 112.91 117.70 1j3z h THR 39 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1j3z h THR 39 Cb 0.06 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1j3z h THR 39 CO 0.00 0.05 0.00 0.11 -0.25 0.00 0.00 175.52 175.43 1j3z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.40 -2.64 116.57 118.82 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1j3z h LYS 40 CO 0.01 0.00 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 -2.02 112.91 110.55 1j3z h THR 41 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1j3z h THR 41 Cb 0.24 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1j3z h THR 41 CO 0.00 0.00 -0.61 -1.22 -0.25 0.00 0.00 175.52 173.44 1j3z n TYR 42 N -2.90 0.02 -2.42 4.73 4.01 -0.99 -4.33 117.16 115.28 1j3z n TYR 42 Ca -0.02 0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1j3z n TYR 42 Cb 0.11 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 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 -1.53 2.51 0.33 -0.72 3.01 -0.76 -4.87 117.46 115.43 1j3z n PHE 43 Ca 0.05 -2.64 0.22 0.00 1.01 0.00 0.00 57.45 56.08 1j3z n PHE 43 Cb 0.34 -0.23 1.12 0.00 -0.01 0.00 0.00 39.48 40.69 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 2.53 0.00 -0.01 -1.08 0.13 -1.75 -0.81 132.00 131.01 1j3z h PRO 44 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1j3z h PRO 44 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j3z h PRO 44 CO 0.67 0.00 -0.24 -2.39 -0.23 0.00 0.00 178.00 175.81 1j3z n HIS 45 N -3.10 0.00 -3.70 1.56 1.44 -1.26 -4.90 115.22 105.26 1j3z n HIS 45 Ca -0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.35 1j3z n HIS 45 Cb 0.12 -0.13 -0.05 0.00 0.12 0.00 0.00 29.99 30.05 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 -2.50 3.54 -0.12 -1.40 0.40 -0.31 -5.06 117.98 112.52 1j3z s PHE 46 Ca 0.25 0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 56.87 1j3z s PHE 46 Cb 0.19 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1j3z s PHE 46 CO 0.52 0.53 1.35 0.34 0.70 0.00 0.00 175.22 178.65 1j3z s ASP 47 N -2.04 6.89 -0.14 1.36 2.15 -1.26 -4.93 116.67 118.70 1j3z s ASP 47 Ca 0.34 1.85 0.16 0.00 0.43 0.00 0.00 52.55 55.33 1j3z s ASP 47 Cb -0.13 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.39 1j3z s ASP 47 CO 0.20 -0.77 1.34 0.18 -0.17 0.00 0.00 175.17 175.95 1j3z n LEU 48 N 6.43 3.42 -5.00 -1.34 4.77 -1.26 -4.50 117.00 119.53 1j3z n LEU 48 Ca 0.14 -2.88 -0.21 0.00 -0.03 0.00 0.00 56.01 53.03 1j3z n LEU 48 Cb 0.44 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1j3z n LEU 48 CO 0.57 0.68 0.39 -0.94 -1.33 0.00 0.00 177.39 176.77 1j3z s SER 49 N -1.97 5.00 0.28 -1.43 1.04 -1.26 -4.90 113.70 110.45 1j3z s SER 49 Ca 0.37 -0.33 -0.30 0.00 0.48 0.00 0.00 55.95 56.16 1j3z s SER 49 Cb 0.29 -0.36 -0.12 0.00 0.10 0.00 0.00 66.02 65.94 1j3z s SER 49 CO 0.08 -1.36 1.63 1.57 0.98 0.00 0.00 173.24 176.15 1j3z n HIS 50 N -2.42 2.88 -1.01 5.02 -0.00 -1.26 -1.87 115.22 116.55 1j3z n HIS 50 Ca 0.12 0.20 -0.00 0.00 0.46 0.00 0.00 57.72 58.50 1j3z n HIS 50 Cb 0.60 -2.62 -0.00 0.00 -0.12 0.00 0.00 29.99 27.85 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 2.49 0.46 3.66 1.57 0.00 -1.26 -4.99 105.19 107.13 1j3z n GLY 51 Ca 0.10 -0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 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 0.13 3.02 -0.09 1.61 2.88 -0.78 -4.89 113.62 115.49 1j3z n SER 52 Ca -0.00 1.08 -0.04 0.00 -1.33 0.00 0.00 58.87 58.58 1j3z n SER 52 Cb 0.08 -1.41 0.17 0.00 -0.75 0.00 0.00 64.21 62.29 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 5.88 1.12 -0.55 -1.46 0.00 -1.91 -1.74 119.26 120.61 1j3z h ALA 53 Ca -0.45 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1j3z h ALA 53 Cb 1.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1j3z h ALA 53 CO 0.88 0.56 0.06 1.96 0.00 0.00 0.00 179.25 182.71 1j3z h GLN 54 N 0.71 0.93 -0.40 0.00 4.20 -1.90 -2.32 115.11 116.33 1j3z h GLN 54 Ca 0.14 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 1j3z h GLN 54 Cb 0.45 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1j3z h GLN 54 CO 0.02 0.92 -0.13 0.28 -0.67 0.00 0.00 178.83 179.25 1j3z h VAL 55 N 0.82 1.28 -0.78 -0.54 2.07 -1.75 -0.76 116.25 116.59 1j3z h VAL 55 Ca 0.16 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1j3z h VAL 55 Cb 0.46 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1j3z h VAL 55 CO 0.02 0.42 0.49 0.11 0.02 0.00 0.00 177.57 178.63 1j3z h LYS 56 N 0.61 0.93 -0.44 1.57 1.57 -1.27 0.76 116.57 120.30 1j3z h LYS 56 Ca 0.10 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1j3z h LYS 56 Cb 0.67 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1j3z h LYS 56 CO 0.05 0.62 -0.16 0.78 -0.57 0.00 0.00 179.45 180.17 1j3z h GLY 57 N 0.96 0.96 1.51 3.86 0.00 -1.33 -3.03 103.07 106.00 1j3z h GLY 57 Ca 0.31 -0.83 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 1j3z h GLY 57 CO -0.11 0.75 -0.48 0.84 0.00 0.00 0.00 176.54 177.54 1j3z h HIS 58 N 0.72 0.65 -0.71 5.60 -0.00 -0.73 -2.83 115.15 117.84 1j3z h HIS 58 Ca 0.11 -0.21 0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1j3z h HIS 58 Cb 0.71 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.95 1j3z h HIS 58 CO 0.05 0.91 0.47 0.78 -0.00 0.00 0.00 177.93 180.14 1j3z h GLY 59 N 1.09 1.00 1.00 5.26 0.00 -0.83 -0.75 103.07 109.84 1j3z h GLY 59 Ca 0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1j3z h GLY 59 CO 0.09 0.36 0.40 1.70 0.00 0.00 0.00 176.54 179.08 1j3z h LYS 60 N 0.95 0.89 -0.33 4.80 3.64 -1.38 -0.08 116.57 125.06 1j3z h LYS 60 Ca 0.26 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1j3z h LYS 60 Cb -0.09 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1j3z h LYS 60 CO -0.06 0.63 0.15 0.87 -2.27 0.00 0.00 179.45 178.77 1j3z h LYS 61 N 0.89 0.47 -0.30 1.90 1.57 -1.09 -1.15 116.57 118.86 1j3z h LYS 61 Ca 0.24 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1j3z h LYS 61 Cb -0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1j3z h LYS 61 CO -0.04 0.45 0.17 0.28 -0.57 0.00 0.00 179.45 179.73 1j3z h VAL 62 N 0.39 1.13 -0.68 0.50 2.07 -1.01 -1.81 116.25 116.83 1j3z h VAL 62 Ca 0.11 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1j3z h VAL 62 Cb 0.14 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1j3z h VAL 62 CO -0.01 0.13 0.42 0.00 0.02 0.00 0.00 177.57 178.12 1j3z h ALA 63 N 1.04 0.90 -0.56 1.67 0.00 -0.93 -1.23 119.26 120.16 1j3z h ALA 63 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1j3z h ALA 63 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1j3z h ALA 63 CO -0.02 0.17 0.19 -0.44 0.00 0.00 0.00 179.25 179.15 1j3z h ASP 64 N 0.81 0.76 -0.43 0.00 3.32 -0.89 0.88 116.42 120.87 1j3z h ASP 64 Ca 0.28 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1j3z h ASP 64 Cb 0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1j3z h ASP 64 CO -0.12 0.70 -0.17 0.00 -1.72 0.00 0.00 179.24 177.93 1j3z h ALA 65 N 1.41 0.80 -0.43 3.45 0.00 -0.68 -1.31 119.26 122.51 1j3z h ALA 65 Ca 0.19 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1j3z h ALA 65 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1j3z h ALA 65 CO -0.01 0.65 -0.30 -0.07 0.00 0.00 0.00 179.25 179.53 1j3z h LEU 66 N 0.81 0.98 -0.81 0.00 3.38 -0.55 -0.80 115.31 118.32 1j3z h LEU 66 Ca 0.12 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1j3z h LEU 66 Cb 0.72 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1j3z h LEU 66 CO 0.06 1.20 0.52 0.74 0.09 0.00 0.00 178.44 181.04 1j3z h THR 67 N 0.79 1.22 -0.63 0.22 2.02 -0.64 -0.52 112.91 115.37 1j3z h THR 67 Ca 0.09 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1j3z h THR 67 Cb 0.87 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1j3z h THR 67 CO 0.08 0.21 0.06 -1.13 0.37 0.00 0.00 175.52 175.11 1j3z h ASN 68 N 1.10 1.02 -0.74 4.18 -1.24 -1.04 -1.01 115.58 117.85 1j3z h ASN 68 Ca 0.29 -0.26 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1j3z h ASN 68 Cb -0.09 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.65 1j3z h ASN 68 CO -0.06 1.04 0.32 0.00 -1.29 0.00 0.00 177.43 177.44 1j3z h ALA 69 N 1.07 0.96 -0.61 1.57 0.00 -0.55 -1.12 119.26 120.58 1j3z h ALA 69 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1j3z h ALA 69 Cb 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1j3z h ALA 69 CO 0.02 0.56 0.29 0.28 0.00 0.00 0.00 179.25 180.40 1j3z h VAL 70 N 1.05 1.21 0.00 0.00 2.07 -0.88 -1.03 116.25 118.68 1j3z h VAL 70 Ca 0.25 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1j3z h VAL 70 Cb 0.18 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1j3z h VAL 70 CO -0.02 0.25 -0.16 0.00 0.02 0.00 0.00 177.57 177.65 1j3z h ALA 71 N 1.13 1.49 -1.12 1.67 0.00 -0.74 -2.91 119.26 118.78 1j3z h ALA 71 Ca 0.21 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 1j3z h ALA 71 Cb 0.12 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.46 1j3z h ALA 71 CO -0.03 0.20 -0.75 0.72 0.00 0.00 0.00 179.25 179.39 1j3z n HIS 72 N -3.99 3.07 0.31 0.00 8.25 -0.47 -4.88 115.22 117.51 1j3z n HIS 72 Ca -0.02 -2.65 0.19 0.00 -0.26 0.00 0.00 57.72 54.98 1j3z n HIS 72 Cb 0.24 -0.23 0.98 0.00 1.12 0.00 0.00 29.99 32.10 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 2.36 0.10 -0.36 1.59 3.04 -0.99 0.79 116.25 122.78 1j3z h VAL 73 Ca 0.34 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1j3z h VAL 73 Cb 1.23 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1j3z h VAL 73 CO 0.81 0.02 0.00 0.47 -1.01 0.00 0.00 177.57 177.86 1j3z n ASP 74 N -3.19 2.59 -2.76 3.17 8.00 -1.26 -4.30 116.55 118.79 1j3z n ASP 74 Ca -0.02 -1.90 -0.01 0.00 0.71 0.00 0.00 54.79 53.57 1j3z n ASP 74 Cb 0.17 -0.24 0.08 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.92 0.23 -0.31 -2.24 2.03 0.24 -4.97 116.55 112.46 1j3z n ASP 75 Ca 0.17 -2.11 0.04 0.00 0.52 0.00 0.00 54.79 53.41 1j3z n ASP 75 Cb 0.45 0.03 0.24 0.00 -0.72 0.00 0.00 41.12 41.12 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 1.91 0.99 -0.82 -0.67 2.86 -1.67 -0.71 114.93 116.83 1j3z h MET 76 Ca -0.27 -0.06 0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1j3z h MET 76 Cb 1.28 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 32.66 1j3z h MET 76 CO 0.02 0.66 0.54 -1.35 1.06 0.00 0.00 176.91 177.83 1j3z h PRO 77 N 1.02 0.59 0.15 -0.22 0.11 -1.93 -0.35 132.00 131.37 1j3z h PRO 77 Ca 0.40 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 66.14 1j3z h PRO 77 Cb 0.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 1j3z h PRO 77 CO -0.15 0.39 -1.68 -0.91 -0.21 0.00 0.00 178.00 175.44 1j3z h ASN 78 N 0.61 0.49 -0.23 -2.05 2.35 -1.81 -3.18 115.58 111.75 1j3z h ASN 78 Ca 0.40 -0.91 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 1j3z h ASN 78 Cb 0.70 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1j3z h ASN 78 CO -0.16 1.74 0.07 0.00 -1.65 0.00 0.00 177.43 177.43 1j3z h ALA 79 N 0.04 1.55 -0.59 -0.83 0.00 -0.90 -2.27 119.26 116.25 1j3z h ALA 79 Ca -0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j3z h ALA 79 Cb 1.96 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1j3z h ALA 79 CO 0.11 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1j3z n LEU 80 N -4.36 5.41 -0.04 0.00 4.77 -0.16 -4.70 117.00 117.92 1j3z n LEU 80 Ca 0.01 -2.74 -0.09 0.00 -0.03 0.00 0.00 56.01 53.16 1j3z n LEU 80 Cb 0.18 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 1j3z n LEU 80 CO 0.37 0.67 0.92 -1.28 -1.33 0.00 0.00 177.39 176.74 1j3z h SER 81 N 3.97 0.12 -0.62 -1.43 0.87 -1.38 0.16 113.55 115.23 1j3z h SER 81 Ca 0.00 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1j3z h SER 81 Cb 1.82 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.75 1j3z h SER 81 CO 0.42 0.10 0.04 0.00 -0.53 0.00 0.00 176.83 176.85 1j3z h ALA 82 N 1.11 0.88 -0.13 6.23 0.00 -1.84 -1.09 119.26 124.43 1j3z h ALA 82 Ca 0.08 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1j3z h ALA 82 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1j3z h ALA 82 CO -0.07 0.67 -0.48 1.25 0.00 0.00 0.00 179.25 180.62 1j3z h LEU 83 N 0.99 0.35 -0.36 0.00 5.85 -1.80 -0.75 115.31 119.60 1j3z h LEU 83 Ca 0.18 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1j3z h LEU 83 Cb 0.51 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1j3z h LEU 83 CO 0.02 0.78 0.08 -1.28 -0.34 0.00 0.00 178.44 177.70 1j3z h SER 84 N 0.26 0.55 -0.81 1.25 0.87 -0.67 -1.66 113.55 113.34 1j3z h SER 84 Ca 0.01 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1j3z h SER 84 Cb 0.94 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 1j3z h SER 84 CO 0.08 0.64 0.53 0.44 -0.53 0.00 0.00 176.83 178.00 1j3z h ASP 85 N 0.43 0.92 -0.08 6.23 3.32 -0.86 -0.50 116.42 125.87 1j3z h ASP 85 Ca 0.11 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1j3z h ASP 85 Cb 0.31 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1j3z h ASP 85 CO 0.00 0.65 0.04 0.25 -1.72 0.00 0.00 179.24 178.47 1j3z h LEU 86 N 1.08 0.10 -0.72 1.55 5.85 -0.91 -0.42 115.31 121.84 1j3z h LEU 86 Ca 0.31 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 1j3z h LEU 86 Cb -0.09 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1j3z h LEU 86 CO -0.08 0.18 -0.44 0.45 -0.34 0.00 0.00 178.44 178.22 1j3z h HIS 87 N 0.02 0.54 -0.15 1.25 3.86 -1.18 -1.17 115.15 118.32 1j3z h HIS 87 Ca 0.03 -0.16 -0.18 0.00 -1.16 0.00 0.00 60.37 58.89 1j3z h HIS 87 Cb 0.11 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1j3z h HIS 87 CO -0.04 0.82 -0.66 0.00 0.86 0.00 0.00 177.93 178.91 1j3z h ALA 88 N 1.16 0.56 0.00 2.45 0.00 -0.93 0.41 119.26 122.91 1j3z h ALA 88 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1j3z h ALA 88 Cb 0.92 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1j3z h ALA 88 CO 0.08 0.71 -1.32 0.72 0.00 0.00 0.00 179.25 179.44 1j3z n HIS 89 N -3.92 0.00 -0.10 0.00 8.25 -0.18 -4.27 115.22 115.00 1j3z n HIS 89 Ca -0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 1j3z n HIS 89 Cb 0.67 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.44 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 -2.33 0.63 -0.02 -0.41 4.81 -0.62 -4.64 118.16 115.58 1j3z n LYS 90 Ca -0.08 0.34 -0.17 0.00 -0.87 0.00 0.00 58.31 57.53 1j3z n LYS 90 Cb 0.64 -1.62 -0.14 0.00 0.02 0.00 0.00 35.03 33.93 1j3z n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j3z n LEU 91 N -3.98 2.01 -3.80 3.14 4.77 -0.54 -5.00 117.00 113.60 1j3z n LEU 91 Ca -0.42 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.54 1j3z n LEU 91 Cb 0.87 -0.63 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1j3z n LEU 91 CO 0.20 0.71 -0.02 0.54 -1.33 0.00 0.00 177.39 177.49 1j3z n ARG 92 N -3.29 -5.01 -2.26 3.23 1.74 0.13 -4.94 116.66 106.26 1j3z n ARG 92 Ca -0.29 0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 56.96 1j3z n ARG 92 Cb 1.05 -5.24 -0.03 0.00 -1.02 0.00 0.00 32.46 27.22 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 -3.56 3.64 0.25 1.55 1.01 -1.19 -4.95 120.40 117.16 1j3z s VAL 93 Ca 0.24 1.13 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 1j3z s VAL 93 Cb -0.12 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 1j3z s VAL 93 CO 0.82 0.06 1.66 -0.62 0.00 0.00 0.00 175.10 177.02 1j3z s ASP 94 N 1.36 6.36 0.55 3.32 -1.08 -1.26 -4.83 116.67 121.09 1j3z s ASP 94 Ca 0.63 2.93 0.33 0.00 -0.52 0.00 0.00 52.55 55.92 1j3z s ASP 94 Cb -0.33 -2.62 1.49 0.00 -1.46 0.00 0.00 42.92 40.00 1j3z s ASP 94 CO 0.28 -0.95 1.82 -0.65 0.52 0.00 0.00 175.17 176.19 1j3z h PRO 95 N 5.78 0.00 -0.07 4.34 0.11 -1.98 -2.00 132.00 138.18 1j3z h PRO 95 Ca -0.45 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1j3z h PRO 95 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j3z h PRO 95 CO 0.87 0.00 0.11 -0.39 -0.21 0.00 0.00 178.00 178.38 1j3z h VAL 96 N 0.00 0.35 0.00 3.15 -1.51 -2.03 -2.62 116.25 113.59 1j3z h VAL 96 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.93 1j3z h VAL 96 Cb 1.96 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1j3z h VAL 96 CO -0.00 0.00 0.00 0.78 -1.23 0.00 0.00 177.57 177.12 1j3z h ASN 97 N 0.00 0.00 -0.04 4.19 4.21 -1.72 -3.27 115.58 118.95 1j3z h ASN 97 Ca 0.03 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.46 1j3z h ASN 97 Cb 0.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1j3z h ASN 97 CO -0.00 0.00 -0.21 -0.26 -1.29 0.00 0.00 177.43 175.67 1j3z h PHE 98 N 0.00 0.47 0.00 1.19 -1.00 -1.67 -1.40 116.94 114.54 1j3z h PHE 98 Ca 0.00 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 1j3z h PHE 98 Cb 0.80 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1j3z h PHE 98 CO 0.00 0.62 -0.21 1.57 -1.61 0.00 0.00 178.31 178.68 1j3z h LYS 99 N 0.39 0.00 -0.05 1.51 2.10 -1.76 -1.21 116.57 117.55 1j3z h LYS 99 Ca 0.06 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.62 1j3z h LYS 99 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1j3z h LYS 99 CO 0.04 0.21 -0.32 -0.07 -2.00 0.00 0.00 179.45 177.31 1j3z h LEU 100 N 0.00 0.36 -0.75 7.07 3.38 -1.43 -1.59 115.31 122.35 1j3z h LEU 100 Ca -0.00 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.22 1j3z h LEU 100 Cb 0.56 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1j3z h LEU 100 CO 0.03 0.99 0.15 0.25 0.09 0.00 0.00 178.44 179.94 1j3z h LEU 101 N -0.23 1.04 -0.39 1.67 5.85 -1.37 -1.65 115.31 120.23 1j3z h LEU 101 Ca -0.03 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1j3z h LEU 101 Cb 0.99 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1j3z h LEU 101 CO 0.07 1.01 0.22 0.28 -0.34 0.00 0.00 178.44 179.68 1j3z h SER 102 N 1.04 0.35 -0.56 1.25 0.02 -1.21 0.56 113.55 115.00 1j3z h SER 102 Ca 0.21 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1j3z h SER 102 Cb 0.39 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1j3z h SER 102 CO 0.00 0.25 0.35 -0.74 -1.14 0.00 0.00 176.83 175.56 1j3z h HIS 103 N 0.45 0.73 -0.12 3.45 -0.00 -1.14 -1.13 115.15 117.38 1j3z h HIS 103 Ca 0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.46 1j3z h HIS 103 Cb 0.02 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1j3z h HIS 103 CO -0.08 0.49 -0.24 0.00 -0.00 0.00 0.00 177.93 178.11 1j3z h LEU 105 N 0.20 0.70 -0.64 0.00 3.38 -0.46 -1.63 115.31 116.86 1j3z h LEU 105 Ca 0.03 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1j3z h LEU 105 Cb 0.53 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1j3z h LEU 105 CO 0.04 0.82 0.41 -0.07 0.09 0.00 0.00 178.44 179.72 1j3z h LEU 106 N 0.57 0.75 -0.54 1.67 3.38 -0.75 -0.48 115.31 119.90 1j3z h LEU 106 Ca 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1j3z h LEU 106 Cb 0.44 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1j3z h LEU 106 CO 0.02 0.56 0.27 0.58 0.09 0.00 0.00 178.44 179.97 1j3z h VAL 107 N 0.87 1.19 -0.11 1.22 2.07 -1.03 0.40 116.25 120.87 1j3z h VAL 107 Ca 0.23 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1j3z h VAL 107 Cb -0.07 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1j3z h VAL 107 CO -0.05 0.21 0.07 0.74 0.02 0.00 0.00 177.57 178.56 1j3z h THR 108 N 0.73 1.02 -0.69 2.57 2.02 -0.99 -1.30 112.91 116.27 1j3z h THR 108 Ca 0.19 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.38 1j3z h THR 108 Cb 0.09 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 1j3z h THR 108 CO -0.03 0.03 0.39 -0.07 0.37 0.00 0.00 175.52 176.21 1j3z h LEU 109 N 0.14 0.59 -0.86 2.58 3.38 -0.81 -2.33 115.31 117.99 1j3z h LEU 109 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1j3z h LEU 109 Cb -0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1j3z h LEU 109 CO -0.01 0.38 0.57 0.00 0.09 0.00 0.00 178.44 179.46 1j3z h ALA 110 N 1.36 1.11 0.00 1.53 0.00 -0.60 -0.21 119.26 122.44 1j3z h ALA 110 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1j3z h ALA 110 Cb 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1j3z h ALA 110 CO -0.18 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.51 1j3z h ALA 111 N 1.33 1.01 0.00 0.00 0.00 -0.72 -3.24 119.26 117.64 1j3z h ALA 111 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1j3z h ALA 111 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1j3z h ALA 111 CO -0.08 0.04 -0.83 0.72 0.00 0.00 0.00 179.25 179.09 1j3z n HIS 112 N -3.13 0.00 -3.23 0.00 -0.00 -0.93 -4.83 115.22 103.10 1j3z n HIS 112 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 1j3z n HIS 112 Cb 0.33 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.99 30.17 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 -1.46 3.48 -0.19 2.41 4.77 -0.13 -4.95 117.00 120.93 1j3z n LEU 113 Ca 0.01 -5.43 -0.04 0.00 -0.03 0.00 0.00 56.01 50.52 1j3z n LEU 113 Cb 0.20 -0.42 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1j3z n LEU 113 CO 0.22 2.17 1.05 1.55 -1.33 0.00 0.00 177.39 181.05 1j3z h PRO 114 N 3.69 0.56 0.01 3.23 0.13 -1.85 -0.64 132.00 137.13 1j3z h PRO 114 Ca 0.16 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 65.02 1j3z h PRO 114 Cb 0.65 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1j3z h PRO 114 CO 0.77 0.37 -0.96 0.00 -0.23 0.00 0.00 178.00 177.96 1j3z h ALA 115 N 1.28 0.34 0.00 -0.56 0.00 -1.96 -3.36 119.26 115.00 1j3z h ALA 115 Ca 0.24 -0.71 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1j3z h ALA 115 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1j3z h ALA 115 CO -0.15 0.81 -1.17 1.05 0.00 0.00 0.00 179.25 179.80 1j3z h GLU 116 N 0.23 0.00 -2.96 0.00 9.09 -1.89 -3.38 114.58 115.66 1j3z h GLU 116 Ca -0.08 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.67 1j3z h GLU 116 Cb 1.60 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.72 1j3z h GLU 116 CO 0.17 0.39 3.72 0.34 0.05 0.00 0.00 179.01 183.68 1j3z n PHE 117 N -3.01 2.36 -1.37 2.06 7.35 -0.27 -4.74 117.46 119.83 1j3z n PHE 117 Ca -0.06 -3.05 -0.30 0.00 -0.76 0.00 0.00 57.45 53.28 1j3z n PHE 117 Cb 0.83 -2.46 0.12 0.00 0.35 0.00 0.00 39.48 38.32 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 2.06 2.72 0.24 -2.13 -4.23 -1.26 -4.74 115.64 108.30 1j3z s THR 118 Ca 0.70 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 61.39 1j3z s THR 118 Cb 0.18 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.38 1j3z s THR 118 CO -0.06 -0.30 1.82 -0.65 -0.54 0.00 0.00 174.62 174.88 1j3z h PRO 119 N -1.38 0.79 -0.65 3.99 0.11 -1.99 0.96 132.00 133.82 1j3z h PRO 119 Ca -0.49 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1j3z h PRO 119 Cb 1.29 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1j3z h PRO 119 CO 0.57 0.52 0.26 0.00 -0.21 0.00 0.00 178.00 179.15 1j3z h ALA 120 N 1.44 0.85 -0.37 -0.75 0.00 -1.96 -0.63 119.26 117.83 1j3z h ALA 120 Ca 0.38 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1j3z h ALA 120 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j3z h ALA 120 CO -0.23 0.46 -0.20 0.28 0.00 0.00 0.00 179.25 179.56 1j3z h VAL 121 N 0.92 1.28 -0.40 0.00 2.07 -1.70 -1.48 116.25 116.94 1j3z h VAL 121 Ca 0.22 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1j3z h VAL 121 Cb 0.20 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1j3z h VAL 121 CO -0.02 0.44 -0.00 -0.74 0.02 0.00 0.00 177.57 177.27 1j3z h HIS 122 N 0.58 -0.03 -0.56 1.57 6.17 -0.66 0.81 115.15 123.03 1j3z h HIS 122 Ca 0.08 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.19 1j3z h HIS 122 Cb 0.76 0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.73 1j3z h HIS 122 CO 0.06 -0.08 0.37 0.00 0.71 0.00 0.00 177.93 178.99 1j3z h ALA 123 N 1.36 0.71 -0.43 5.26 0.00 -0.89 -0.16 119.26 125.09 1j3z h ALA 123 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1j3z h ALA 123 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1j3z h ALA 123 CO -0.33 0.15 0.13 0.77 0.00 0.00 0.00 179.25 179.96 1j3z h SER 124 N 0.76 0.64 -0.61 0.00 0.02 -0.86 -1.87 113.55 111.63 1j3z h SER 124 Ca 0.20 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1j3z h SER 124 Cb -0.09 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1j3z h SER 124 CO -0.04 0.69 0.23 -0.07 -1.14 0.00 0.00 176.83 176.49 1j3z h LEU 125 N 0.56 0.87 -0.40 5.07 3.38 -0.57 0.44 115.31 124.67 1j3z h LEU 125 Ca 0.14 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1j3z h LEU 125 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1j3z h LEU 125 CO -0.00 0.80 0.06 -0.78 0.09 0.00 0.00 178.44 178.60 1j3z h ASP 126 N 0.93 0.65 -0.57 -0.43 3.58 -0.84 -0.36 116.42 119.37 1j3z h ASP 126 Ca 0.21 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1j3z h ASP 126 Cb 0.22 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1j3z h ASP 126 CO -0.01 0.75 0.32 0.11 -2.88 0.00 0.00 179.24 177.53 1j3z h LYS 127 N 0.52 0.80 -0.38 0.28 1.57 -1.03 -0.44 116.57 117.88 1j3z h LYS 127 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1j3z h LYS 127 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1j3z h LYS 127 CO 0.01 0.60 0.25 0.35 -0.57 0.00 0.00 179.45 180.09 1j3z h PHE 128 N 0.77 0.48 -0.16 -1.35 3.57 -0.63 -0.20 116.94 119.43 1j3z h PHE 128 Ca 0.20 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1j3z h PHE 128 Cb 0.03 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1j3z h PHE 128 CO -0.01 0.31 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.89 1j3z h LEU 129 N 0.51 0.39 -0.84 0.59 3.38 -0.85 -0.67 115.31 117.82 1j3z h LEU 129 Ca 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1j3z h LEU 129 Cb -0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1j3z h LEU 129 CO -0.03 0.76 0.49 0.00 0.09 0.00 0.00 178.44 179.76 1j3z h ALA 130 N 1.26 1.08 -0.36 1.53 0.00 -0.81 -0.69 119.26 121.27 1j3z h ALA 130 Ca 0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1j3z h ALA 130 Cb 0.86 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j3z h ALA 130 CO 0.07 0.56 -0.06 0.77 0.00 0.00 0.00 179.25 180.59 1j3z h SER 131 N 1.17 0.68 -0.62 0.00 0.02 -0.49 0.34 113.55 114.64 1j3z h SER 131 Ca 0.30 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1j3z h SER 131 Cb -0.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1j3z h SER 131 CO -0.05 0.86 0.38 0.58 -1.14 0.00 0.00 176.83 177.46 1j3z h VAL 132 N 0.48 1.07 -0.67 2.27 2.07 -1.02 -0.74 116.25 119.71 1j3z h VAL 132 Ca 0.09 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1j3z h VAL 132 Cb 0.55 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1j3z h VAL 132 CO 0.03 0.14 0.29 0.28 0.02 0.00 0.00 177.57 178.32 1j3z h SER 133 N 0.75 0.90 -0.36 0.57 0.02 -0.83 -0.31 113.55 114.29 1j3z h SER 133 Ca 0.25 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1j3z h SER 133 Cb 0.03 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1j3z h SER 133 CO -0.11 0.81 0.18 0.74 -1.14 0.00 0.00 176.83 177.32 1j3z h THR 134 N 0.94 1.16 -0.47 -2.27 2.02 -0.60 -2.00 112.91 111.68 1j3z h THR 134 Ca 0.22 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1j3z h THR 134 Cb 0.18 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1j3z h THR 134 CO -0.02 0.17 0.31 0.58 0.37 0.00 0.00 175.52 176.92 1j3z h VAL 135 N 0.45 1.12 0.00 3.16 2.07 -0.77 -2.33 116.25 119.94 1j3z h VAL 135 Ca 0.13 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1j3z h VAL 135 Cb 0.10 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1j3z h VAL 135 CO -0.02 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.62 1j3z h LEU 136 N 0.63 0.00 -2.97 2.57 3.38 -0.77 -2.35 115.31 115.80 1j3z h LEU 136 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j3z h LEU 136 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1j3z h LEU 136 CO -0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.84 1j3z n THR 137 N -2.84 1.34 0.40 0.22 -2.24 -0.78 -4.49 114.28 105.89 1j3z n THR 137 Ca -0.00 -1.18 0.13 0.00 -2.27 0.00 0.00 64.05 60.73 1j3z n THR 137 Cb 0.21 0.32 0.37 0.00 -2.10 0.00 0.00 70.33 69.13 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 2.56 0.00 -0.25 3.42 4.64 -0.89 -3.25 113.55 119.78 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 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1j3z h SER 138 CO 0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1j3z n LYS 139 N -2.68 2.77 0.14 4.77 5.02 -1.26 -4.71 118.16 122.21 1j3z n LYS 139 Ca 0.04 -2.59 -0.01 0.00 -2.02 0.00 0.00 58.31 53.74 1j3z n LYS 139 Cb 0.42 -1.65 0.24 0.00 -0.02 0.00 0.00 35.03 34.02 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 1.62 0.10 0.00 2.13 -1.99 -1.88 -3.46 116.97 113.48 1j3z h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1j3z h TYR 140 Cb 1.21 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1j3z h TYR 140 CO 0.37 0.55 0.00 2.89 -0.00 0.00 0.00 178.16 181.97