#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3y s LEU 2 N 0.00 4.30 0.79 7.52 1.43 -1.26 -5.05 118.68 126.42 1j3y s LEU 2 Ca 0.00 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 1j3y s LEU 2 Cb 0.00 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.73 1j3y s LEU 2 CO 0.00 -0.37 1.13 -0.94 0.23 0.00 0.00 176.35 176.41 1j3y s SER 3 N 1.06 4.61 0.24 2.29 1.04 -1.26 -4.86 113.70 116.82 1j3y s SER 3 Ca 0.50 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.89 1j3y s SER 3 Cb -0.20 -1.64 0.42 0.00 0.10 0.00 0.00 66.02 64.70 1j3y s SER 3 CO 0.22 -1.86 1.76 -0.65 0.98 0.00 0.00 173.24 173.69 1j3y h PRO 4 N -1.02 0.53 -0.59 4.02 0.11 -2.00 -1.43 132.00 131.63 1j3y h PRO 4 Ca -0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1j3y h PRO 4 Cb 1.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1j3y h PRO 4 CO 0.64 0.35 0.04 0.00 -0.21 0.00 0.00 178.00 178.81 1j3y h ALA 5 N 1.50 0.96 -0.62 -0.75 0.00 -1.99 -1.16 119.26 117.20 1j3y h ALA 5 Ca 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1j3y h ALA 5 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1j3y h ALA 5 CO -0.34 0.64 0.39 -0.44 0.00 0.00 0.00 179.25 179.49 1j3y h ASP 6 N 0.92 0.74 -0.17 0.00 3.32 -1.70 0.38 116.42 119.91 1j3y h ASP 6 Ca 0.17 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1j3y h ASP 6 Cb 0.48 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1j3y h ASP 6 CO 0.02 0.57 -0.47 0.11 -1.72 0.00 0.00 179.24 177.75 1j3y h LYS 7 N 0.84 0.74 -0.64 3.56 1.57 -0.96 0.31 116.57 121.99 1j3y h LYS 7 Ca 0.22 -0.42 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1j3y h LYS 7 Cb -0.04 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1j3y h LYS 7 CO -0.04 1.04 0.38 1.15 -0.57 0.00 0.00 179.45 181.41 1j3y h THR 8 N 0.59 1.03 -0.38 -0.16 2.02 -0.88 -0.67 112.91 114.46 1j3y h THR 8 Ca 0.03 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1j3y h THR 8 Cb 1.03 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1j3y h THR 8 CO 0.10 0.13 -0.05 0.78 0.37 0.00 0.00 175.52 176.85 1j3y h ASN 9 N 0.72 0.70 -0.24 4.18 -0.26 -0.53 -1.09 115.58 119.06 1j3y h ASN 9 Ca 0.27 -0.34 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1j3y h ASN 9 Cb 0.09 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1j3y h ASN 9 CO -0.14 0.88 0.04 0.58 -1.06 0.00 0.00 177.43 177.73 1j3y h VAL 10 N 0.51 1.23 -0.74 2.81 2.07 -0.86 -0.26 116.25 121.01 1j3y h VAL 10 Ca 0.10 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1j3y h VAL 10 Cb 0.55 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1j3y h VAL 10 CO 0.03 0.24 0.42 0.11 0.02 0.00 0.00 177.57 178.39 1j3y h LYS 11 N 0.21 1.03 -0.48 1.57 1.57 -1.04 -0.32 116.57 119.11 1j3y h LYS 11 Ca 0.07 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1j3y h LYS 11 Cb 0.33 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1j3y h LYS 11 CO 0.00 0.76 -0.12 0.00 -0.57 0.00 0.00 179.45 179.53 1j3y h ALA 12 N 1.21 0.66 -0.16 3.86 0.00 -1.06 0.28 119.26 124.05 1j3y h ALA 12 Ca 0.26 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1j3y h ALA 12 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1j3y h ALA 12 CO -0.04 0.56 -0.14 0.00 0.00 0.00 0.00 179.25 179.63 1j3y h ALA 13 N 0.88 0.23 0.00 0.00 0.00 -0.82 -2.29 119.26 117.26 1j3y h ALA 13 Ca 0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1j3y h ALA 13 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1j3y h ALA 13 CO 0.05 0.11 -0.37 2.35 0.00 0.00 0.00 179.25 181.39 1j3y h TRP 14 N 0.02 0.00 -0.98 0.00 2.91 -1.06 -1.40 115.95 115.44 1j3y h TRP 14 Ca 0.03 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.12 1j3y h TRP 14 Cb 0.67 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.25 1j3y h TRP 14 CO 0.08 0.37 0.63 0.78 -1.03 0.00 0.00 178.44 179.26 1j3y h GLY 15 N 1.10 1.50 1.86 2.65 0.00 -0.73 -1.96 103.07 107.49 1j3y h GLY 15 Ca -0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 47.33 46.65 1j3y h GLY 15 CO 0.05 0.31 -1.04 1.70 0.00 0.00 0.00 176.54 177.55 1j3y h LYS 16 N 1.12 0.11 -0.56 4.80 3.11 -0.78 -2.61 116.57 121.75 1j3y h LYS 16 Ca 0.43 -0.16 0.07 0.00 -2.81 0.00 0.00 60.65 58.18 1j3y h LYS 16 Cb 0.20 0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 31.43 1j3y h LYS 16 CO -0.18 1.04 0.24 0.28 -2.81 0.00 0.00 179.45 178.02 1j3y h VAL 17 N 0.04 0.87 0.00 2.00 2.07 -0.99 -3.45 116.25 116.78 1j3y h VAL 17 Ca -0.05 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1j3y h VAL 17 Cb 1.77 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1j3y h VAL 17 CO 0.15 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1j3y n GLY 18 N -1.27 3.15 0.03 2.17 0.00 -0.76 -1.34 105.19 107.16 1j3y n GLY 18 Ca 0.07 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1j3y n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3y n ALA 19 N 9.95 1.51 1.74 4.61 0.00 -1.26 -2.29 120.51 134.77 1j3y n ALA 19 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1j3y n ALA 19 Cb 0.00 -1.22 0.62 0.00 0.00 0.00 0.00 19.45 18.85 1j3y n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3y n HIS 20 N -1.65 0.04 -0.21 0.00 -0.00 -0.45 -4.36 115.22 108.59 1j3y n HIS 20 Ca 0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1j3y n HIS 20 Cb 0.14 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.24 1j3y n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j3y h ALA 21 N 3.94 0.82 -0.46 -1.41 0.00 -1.59 -1.00 119.26 119.56 1j3y h ALA 21 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1j3y h ALA 21 Cb 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1j3y h ALA 21 CO 0.00 -0.12 0.16 0.78 0.00 0.00 0.00 179.25 180.07 1j3y h GLY 22 N 0.49 0.75 0.93 0.00 0.00 -1.84 0.13 103.07 103.53 1j3y h GLY 22 Ca 0.30 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1j3y h GLY 22 CO -0.26 0.40 0.38 0.83 0.00 0.00 0.00 176.54 177.89 1j3y h GLU 23 N 0.60 0.74 -0.31 4.80 5.08 -1.66 -2.05 114.58 121.77 1j3y h GLU 23 Ca 0.15 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1j3y h GLU 23 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1j3y h GLU 23 CO -0.01 0.49 -0.37 1.88 -1.00 0.00 0.00 179.01 180.00 1j3y h TYR 24 N 0.76 0.86 -0.31 4.33 -1.99 -0.90 -0.63 116.97 119.09 1j3y h TYR 24 Ca 0.23 -0.24 0.05 0.00 2.00 0.00 0.00 58.73 60.77 1j3y h TYR 24 Cb -0.03 -0.19 -0.05 0.00 2.00 0.00 0.00 36.73 38.47 1j3y h TYR 24 CO -0.05 0.99 -0.00 0.78 -0.00 0.00 0.00 178.16 179.88 1j3y h GLY 25 N 0.95 0.30 1.01 3.88 0.00 -0.76 0.18 103.07 108.62 1j3y h GLY 25 Ca 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1j3y h GLY 25 CO 0.08 -0.07 0.20 0.00 0.00 0.00 0.00 176.54 176.75 1j3y h ALA 26 N 1.27 0.80 -0.54 3.60 0.00 -1.09 -1.71 119.26 121.59 1j3y h ALA 26 Ca 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j3y h ALA 26 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1j3y h ALA 26 CO -0.25 0.46 0.32 1.49 0.00 0.00 0.00 179.25 181.26 1j3y h GLU 27 N 0.86 0.74 -0.74 0.00 4.81 -0.88 -1.49 114.58 117.88 1j3y h GLU 27 Ca 0.20 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1j3y h GLU 27 Cb 0.28 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1j3y h GLU 27 CO -0.01 0.55 0.36 0.00 -0.73 0.00 0.00 179.01 179.18 1j3y h ALA 28 N 1.15 0.96 -0.44 2.92 0.00 -0.40 -0.23 119.26 123.21 1j3y h ALA 28 Ca 0.19 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1j3y h ALA 28 Cb 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1j3y h ALA 28 CO -0.03 0.52 0.23 -0.07 0.00 0.00 0.00 179.25 179.90 1j3y h LEU 29 N 1.05 0.34 -0.37 0.00 3.38 -1.02 -0.75 115.31 117.94 1j3y h LEU 29 Ca 0.26 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1j3y h LEU 29 Cb 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1j3y h LEU 29 CO -0.03 0.24 0.17 -0.08 0.09 0.00 0.00 178.44 178.83 1j3y h GLU 30 N 0.46 0.53 -0.78 1.13 4.81 -0.97 -0.11 114.58 119.64 1j3y h GLU 30 Ca 0.19 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1j3y h GLU 30 Cb 0.08 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1j3y h GLU 30 CO -0.12 0.49 0.45 0.00 -0.73 0.00 0.00 179.01 179.09 1j3y h ARG 31 N 0.45 0.76 -0.27 1.92 3.08 -0.85 -1.12 114.38 118.35 1j3y h ARG 31 Ca 0.12 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1j3y h ARG 31 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1j3y h ARG 31 CO -0.01 0.51 0.02 1.98 -1.07 0.00 0.00 179.97 181.40 1j3y h MET 32 N 0.79 0.46 -0.52 0.04 4.05 -0.41 0.14 114.93 119.47 1j3y h MET 32 Ca 0.36 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.57 1j3y h MET 32 Cb 0.28 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1j3y h MET 32 CO -0.22 0.60 -0.01 0.74 0.23 0.00 0.00 176.91 178.25 1j3y h PHE 33 N 0.26 0.95 -0.05 1.39 0.04 -0.75 0.18 116.94 118.95 1j3y h PHE 33 Ca 0.08 -0.14 -0.25 0.00 2.80 0.00 0.00 57.97 60.45 1j3y h PHE 33 Cb 0.37 -0.25 0.02 0.00 2.20 0.00 0.00 35.95 38.29 1j3y h PHE 33 CO 0.03 0.86 -0.96 -0.07 -0.60 0.00 0.00 178.31 177.57 1j3y h LEU 34 N 0.81 0.93 0.03 1.54 3.38 -1.14 -3.29 115.31 117.57 1j3y h LEU 34 Ca 0.15 -0.69 -0.25 0.00 0.09 0.00 0.00 57.88 57.18 1j3y h LEU 34 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1j3y h LEU 34 CO 0.02 1.50 -1.24 0.28 0.09 0.00 0.00 178.44 179.09 1j3y h SER 35 N 0.45 0.10 -2.52 -0.43 0.02 -0.81 -3.40 113.55 106.96 1j3y h SER 35 Ca -0.10 -0.13 -0.60 0.00 -0.84 0.00 0.00 61.79 60.12 1j3y h SER 35 Cb 1.60 -0.03 -0.40 0.00 0.14 0.00 0.00 62.40 63.70 1j3y h SER 35 CO 0.19 1.10 -0.79 0.49 -1.14 0.00 0.00 176.83 176.68 1j3y n PHE 36 N -3.33 1.37 0.30 3.45 3.72 0.63 -4.99 117.46 118.61 1j3y n PHE 36 Ca -0.07 -3.84 0.19 0.00 -0.05 0.00 0.00 57.45 53.69 1j3y n PHE 36 Cb 0.99 -0.28 1.01 0.00 -0.94 0.00 0.00 39.48 40.26 1j3y n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1j3y h PRO 37 N 5.04 0.00 -0.11 -1.08 0.13 -1.75 -1.27 132.00 132.96 1j3y h PRO 37 Ca 0.19 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 1j3y h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1j3y h PRO 37 CO 0.58 0.00 0.10 1.79 -0.23 0.00 0.00 178.00 180.24 1j3y h THR 38 N 0.00 0.70 0.00 1.56 1.35 -1.92 -1.58 112.91 113.01 1j3y h THR 38 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.86 1j3y h THR 38 Cb 0.18 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1j3y h THR 38 CO -0.00 0.00 -0.10 0.71 -0.25 0.00 0.00 175.52 175.88 1j3y h THR 39 N 0.00 0.42 0.00 6.82 1.35 -1.55 -2.29 112.91 117.66 1j3y h THR 39 Ca 0.05 -0.52 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1j3y h THR 39 Cb 0.26 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1j3y h THR 39 CO -0.00 0.10 -0.01 0.11 -0.25 0.00 0.00 175.52 175.46 1j3y h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.46 -2.65 116.57 118.75 1j3y h LYS 40 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3y h LYS 40 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1j3y h LYS 40 CO 0.01 0.01 -0.00 1.79 -0.57 0.00 0.00 179.45 180.70 1j3y h THR 41 N 0.00 0.02 -0.00 -0.16 1.35 -1.57 -1.13 112.91 111.41 1j3y h THR 41 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1j3y h THR 41 Cb 0.10 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1j3y h THR 41 CO 0.00 0.00 -0.33 -1.22 -0.25 0.00 0.00 175.52 173.73 1j3y n TYR 42 N -3.10 0.00 -2.50 4.73 4.01 -1.00 -4.31 117.16 114.98 1j3y n TYR 42 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1j3y n TYR 42 Cb 0.10 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 38.92 1j3y n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j3y n PHE 43 N -1.16 2.32 0.32 -0.72 3.01 -0.43 -4.86 117.46 115.94 1j3y n PHE 43 Ca 0.09 -2.73 0.15 0.00 1.01 0.00 0.00 57.45 55.98 1j3y n PHE 43 Cb 0.33 -0.24 0.64 0.00 -0.01 0.00 0.00 39.48 40.20 1j3y n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1j3y h PRO 44 N 2.64 0.00 -0.01 -1.08 0.13 -1.75 -1.74 132.00 130.19 1j3y h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1j3y h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1j3y h PRO 44 CO 0.64 0.00 -0.31 -2.39 -0.23 0.00 0.00 178.00 175.71 1j3y n HIS 45 N -2.76 0.00 -3.55 1.56 1.44 -1.26 -4.92 115.22 105.73 1j3y n HIS 45 Ca 0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.41 1j3y n HIS 45 Cb 0.26 -0.12 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 1j3y n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j3y s PHE 46 N -2.55 3.46 -0.19 -1.40 0.40 -0.66 -5.05 117.98 111.99 1j3y s PHE 46 Ca 0.22 0.67 -0.29 0.00 -0.60 0.00 0.00 56.93 56.93 1j3y s PHE 46 Cb 0.19 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 1j3y s PHE 46 CO 0.54 0.35 1.25 0.34 0.70 0.00 0.00 175.22 178.41 1j3y s ASP 47 N -2.50 6.91 0.00 1.36 2.15 -1.26 -4.93 116.67 118.40 1j3y s ASP 47 Ca 0.43 1.59 0.12 0.00 0.43 0.00 0.00 52.55 55.12 1j3y s ASP 47 Cb -0.12 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.30 1j3y s ASP 47 CO 0.24 -0.81 1.27 0.18 -0.17 0.00 0.00 175.17 175.89 1j3y n LEU 48 N 6.76 3.00 -4.89 -1.34 4.77 -1.26 -4.42 117.00 119.62 1j3y n LEU 48 Ca 0.14 -1.99 -0.29 0.00 -0.03 0.00 0.00 56.01 53.83 1j3y n LEU 48 Cb 0.45 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1j3y n LEU 48 CO 0.57 0.75 0.73 -0.94 -1.33 0.00 0.00 177.39 177.17 1j3y s SER 49 N -1.00 5.32 0.28 -1.43 1.04 -1.26 -4.95 113.70 111.70 1j3y s SER 49 Ca 0.25 1.02 -0.30 0.00 0.48 0.00 0.00 55.95 57.40 1j3y s SER 49 Cb 0.13 -1.80 -0.12 0.00 0.10 0.00 0.00 66.02 64.33 1j3y s SER 49 CO 0.17 -1.39 1.55 1.57 0.98 0.00 0.00 173.24 176.12 1j3y n HIS 50 N -3.00 2.68 -0.85 5.02 -0.00 -1.26 -1.70 115.22 116.11 1j3y n HIS 50 Ca 0.07 0.29 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1j3y n HIS 50 Cb 0.58 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 1j3y n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3y n GLY 51 N 2.21 0.63 3.71 1.57 0.00 -1.26 -5.00 105.19 107.04 1j3y n GLY 51 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1j3y n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3y n SER 52 N 0.00 3.97 -0.04 1.61 2.88 -0.69 -4.90 113.62 116.45 1j3y n SER 52 Ca 0.00 1.04 -0.03 0.00 -1.33 0.00 0.00 58.87 58.54 1j3y n SER 52 Cb 0.00 -1.56 0.20 0.00 -0.75 0.00 0.00 64.21 62.10 1j3y n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3y h ALA 53 N 7.37 1.15 -0.65 -1.46 0.00 -1.90 -1.61 119.26 122.16 1j3y h ALA 53 Ca -0.44 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 1j3y h ALA 53 Cb 1.21 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1j3y h ALA 53 CO 0.95 0.54 0.21 1.96 0.00 0.00 0.00 179.25 182.91 1j3y h GLN 54 N 0.58 1.01 -0.30 0.00 4.20 -1.91 -1.38 115.11 117.32 1j3y h GLN 54 Ca 0.11 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1j3y h GLN 54 Cb 0.50 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1j3y h GLN 54 CO 0.03 0.88 -0.46 0.28 -0.67 0.00 0.00 178.83 178.89 1j3y h VAL 55 N 0.94 1.28 -0.39 -0.54 2.07 -1.71 -0.65 116.25 117.25 1j3y h VAL 55 Ca 0.21 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.13 1j3y h VAL 55 Cb 0.29 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1j3y h VAL 55 CO -0.01 0.54 0.16 0.50 0.02 0.00 0.00 177.57 178.78 1j3y h LYS 56 N 0.62 0.33 -0.54 1.57 3.64 -1.22 -0.32 116.57 120.65 1j3y h LYS 56 Ca 0.03 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1j3y h LYS 56 Cb 1.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1j3y h LYS 56 CO 0.11 0.22 -0.05 0.78 -2.27 0.00 0.00 179.45 178.23 1j3y h GLY 57 N 0.33 1.04 1.58 5.01 0.00 -1.10 -2.84 103.07 107.10 1j3y h GLY 57 Ca 0.17 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1j3y h GLY 57 CO -0.16 0.72 -0.35 0.84 0.00 0.00 0.00 176.54 177.60 1j3y h HIS 58 N 0.88 0.55 -1.01 5.60 -0.00 -0.86 -2.84 115.15 117.46 1j3y h HIS 58 Ca 0.15 -0.14 0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1j3y h HIS 58 Cb 0.58 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.81 1j3y h HIS 58 CO 0.04 0.76 0.66 0.78 -0.00 0.00 0.00 177.93 180.17 1j3y h GLY 59 N 1.08 1.46 1.01 5.26 0.00 -0.83 -0.78 103.07 110.27 1j3y h GLY 59 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1j3y h GLY 59 CO 0.06 0.45 0.52 1.70 0.00 0.00 0.00 176.54 179.27 1j3y h LYS 60 N 1.30 1.06 -0.32 4.80 3.64 -1.31 -0.40 116.57 125.34 1j3y h LYS 60 Ca 0.39 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1j3y h LYS 60 Cb -0.04 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1j3y h LYS 60 CO -0.11 0.72 0.09 0.87 -2.27 0.00 0.00 179.45 178.75 1j3y h LYS 61 N 1.09 0.49 -0.18 1.90 1.57 -1.08 -0.36 116.57 120.00 1j3y h LYS 61 Ca 0.29 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1j3y h LYS 61 Cb -0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1j3y h LYS 61 CO -0.06 0.54 0.11 0.28 -0.57 0.00 0.00 179.45 179.75 1j3y h VAL 62 N 0.35 1.08 -0.56 0.50 2.07 -1.08 -1.61 116.25 117.00 1j3y h VAL 62 Ca 0.10 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1j3y h VAL 62 Cb 0.26 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1j3y h VAL 62 CO -0.00 0.08 0.30 0.00 0.02 0.00 0.00 177.57 177.97 1j3y h ALA 63 N 1.02 0.73 -0.60 1.67 0.00 -0.96 -1.16 119.26 119.97 1j3y h ALA 63 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1j3y h ALA 63 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1j3y h ALA 63 CO -0.01 -0.03 0.19 -0.44 0.00 0.00 0.00 179.25 178.97 1j3y h ASP 64 N 0.58 0.83 -0.74 0.00 3.32 -0.78 0.59 116.42 120.22 1j3y h ASP 64 Ca 0.25 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1j3y h ASP 64 Cb 0.13 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1j3y h ASP 64 CO -0.16 0.77 0.26 0.00 -1.72 0.00 0.00 179.24 178.39 1j3y h ALA 65 N 1.34 1.04 -0.48 3.45 0.00 -0.65 -1.29 119.26 122.68 1j3y h ALA 65 Ca 0.20 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1j3y h ALA 65 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j3y h ALA 65 CO -0.01 0.66 -0.10 -0.07 0.00 0.00 0.00 179.25 179.73 1j3y h LEU 66 N 1.10 0.91 -0.86 0.00 3.38 -0.36 -0.90 115.31 118.59 1j3y h LEU 66 Ca 0.24 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1j3y h LEU 66 Cb 0.27 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1j3y h LEU 66 CO -0.01 1.05 0.56 0.74 0.09 0.00 0.00 178.44 180.87 1j3y h THR 67 N 0.75 1.19 -0.70 0.22 2.02 -0.60 -0.26 112.91 115.53 1j3y h THR 67 Ca 0.12 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1j3y h THR 67 Cb 0.64 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1j3y h THR 67 CO 0.04 0.21 0.15 -1.13 0.37 0.00 0.00 175.52 175.16 1j3y h ASN 68 N 1.13 1.07 -0.71 4.18 -1.24 -1.05 -0.74 115.58 118.22 1j3y h ASN 68 Ca 0.32 -0.24 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 1j3y h ASN 68 Cb -0.08 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.66 1j3y h ASN 68 CO -0.09 1.03 0.18 0.00 -1.29 0.00 0.00 177.43 177.27 1j3y h ALA 69 N 1.09 0.94 -0.55 1.57 0.00 -0.51 -1.24 119.26 120.55 1j3y h ALA 69 Ca 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j3y h ALA 69 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1j3y h ALA 69 CO 0.01 0.66 0.25 0.28 0.00 0.00 0.00 179.25 180.44 1j3y h VAL 70 N 1.07 1.21 0.00 0.00 2.07 -0.73 -0.93 116.25 118.94 1j3y h VAL 70 Ca 0.22 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1j3y h VAL 70 Cb 0.37 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1j3y h VAL 70 CO 0.00 0.24 -0.20 0.00 0.02 0.00 0.00 177.57 177.63 1j3y h ALA 71 N 1.09 1.50 -1.05 1.67 0.00 -0.78 -2.90 119.26 118.79 1j3y h ALA 71 Ca 0.19 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 1j3y h ALA 71 Cb 0.15 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.50 1j3y h ALA 71 CO -0.02 0.25 -0.55 0.72 0.00 0.00 0.00 179.25 179.65 1j3y n HIS 72 N -4.05 3.03 0.32 0.00 8.25 -0.50 -4.87 115.22 117.40 1j3y n HIS 72 Ca -0.02 -2.60 0.22 0.00 -0.26 0.00 0.00 57.72 55.05 1j3y n HIS 72 Cb 0.28 -0.39 1.09 0.00 1.12 0.00 0.00 29.99 32.09 1j3y n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1j3y h VAL 73 N 2.21 0.00 -0.46 1.59 3.04 -0.97 0.13 116.25 121.79 1j3y h VAL 73 Ca 0.38 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1j3y h VAL 73 Cb 1.19 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1j3y h VAL 73 CO 0.90 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.93 1j3y n ASP 74 N -3.07 3.29 -2.74 3.17 8.00 -1.26 -4.32 116.55 119.62 1j3y n ASP 74 Ca -0.02 -1.97 -0.02 0.00 0.71 0.00 0.00 54.79 53.50 1j3y n ASP 74 Cb 0.13 -0.30 0.09 0.00 -0.02 0.00 0.00 41.12 41.02 1j3y n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j3y n ASP 75 N 1.35 -0.06 -0.37 -2.24 2.03 0.40 -4.97 116.55 112.68 1j3y n ASP 75 Ca 0.20 -2.16 0.02 0.00 0.52 0.00 0.00 54.79 53.37 1j3y n ASP 75 Cb 0.56 0.15 0.17 0.00 -0.72 0.00 0.00 41.12 41.28 1j3y n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1j3y h MET 76 N 1.82 1.16 -0.98 -0.67 2.86 -1.65 -1.20 114.93 116.26 1j3y h MET 76 Ca -0.29 -0.07 0.21 0.00 -2.06 0.00 0.00 59.70 57.49 1j3y h MET 76 Cb 1.28 -0.26 -0.09 0.00 0.06 0.00 0.00 31.60 32.59 1j3y h MET 76 CO 0.00 0.77 0.62 -1.35 1.06 0.00 0.00 176.91 178.01 1j3y h PRO 77 N 1.20 0.55 0.12 -0.22 0.11 -1.93 -1.18 132.00 130.65 1j3y h PRO 77 Ca 0.43 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.26 1j3y h PRO 77 Cb 0.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1j3y h PRO 77 CO -0.17 0.37 -1.23 -0.91 -0.21 0.00 0.00 178.00 175.85 1j3y h ASN 78 N 0.57 0.39 -0.58 -2.05 2.35 -1.86 -3.25 115.58 111.15 1j3y h ASN 78 Ca 0.55 -0.87 0.05 0.00 -0.55 0.00 0.00 56.30 55.48 1j3y h ASN 78 Cb 1.13 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 1j3y h ASN 78 CO -0.30 1.55 0.38 0.00 -1.65 0.00 0.00 177.43 177.41 1j3y h ALA 79 N -0.03 1.76 -0.53 -0.83 0.00 -0.98 -1.62 119.26 117.03 1j3y h ALA 79 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1j3y h ALA 79 Cb 1.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1j3y h ALA 79 CO 0.07 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1j3y n LEU 80 N -4.47 5.45 -0.00 0.00 4.77 -0.47 -4.69 117.00 117.58 1j3y n LEU 80 Ca 0.07 -2.93 -0.11 0.00 -0.03 0.00 0.00 56.01 53.01 1j3y n LEU 80 Cb 0.18 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 1j3y n LEU 80 CO 0.34 0.64 0.90 -1.28 -1.33 0.00 0.00 177.39 176.67 1j3y h SER 81 N 3.68 0.12 -0.48 -1.43 0.87 -1.32 0.46 113.55 115.45 1j3y h SER 81 Ca 0.00 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1j3y h SER 81 Cb 1.89 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.80 1j3y h SER 81 CO 0.45 0.11 0.09 0.00 -0.53 0.00 0.00 176.83 176.94 1j3y h ALA 82 N 1.01 0.64 -0.65 6.23 0.00 -1.83 -1.13 119.26 123.53 1j3y h ALA 82 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1j3y h ALA 82 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1j3y h ALA 82 CO -0.01 0.36 0.20 1.25 0.00 0.00 0.00 179.25 181.05 1j3y h LEU 83 N 0.67 0.92 -0.38 0.00 5.85 -1.85 0.20 115.31 120.72 1j3y h LEU 83 Ca 0.15 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1j3y h LEU 83 Cb 0.38 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1j3y h LEU 83 CO 0.01 0.87 0.18 -1.28 -0.34 0.00 0.00 178.44 177.88 1j3y h SER 84 N 0.96 0.50 -0.84 1.25 0.87 -0.62 -1.88 113.55 113.78 1j3y h SER 84 Ca 0.21 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1j3y h SER 84 Cb 0.28 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1j3y h SER 84 CO -0.01 0.48 0.54 0.44 -0.53 0.00 0.00 176.83 177.76 1j3y h ASP 85 N 0.47 0.91 -0.63 6.23 3.32 -0.75 -0.93 116.42 125.05 1j3y h ASP 85 Ca 0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1j3y h ASP 85 Cb 0.12 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1j3y h ASP 85 CO -0.02 0.64 0.34 0.25 -1.72 0.00 0.00 179.24 178.74 1j3y h LEU 86 N 1.07 0.78 -0.27 1.55 5.85 -0.70 -1.19 115.31 122.40 1j3y h LEU 86 Ca 0.32 -0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.74 1j3y h LEU 86 Cb -0.04 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1j3y h LEU 86 CO -0.10 0.65 -0.75 0.45 -0.34 0.00 0.00 178.44 178.36 1j3y h HIS 87 N 0.85 0.86 -0.29 1.25 3.86 -1.00 -0.25 115.15 120.43 1j3y h HIS 87 Ca 0.22 -0.38 -0.15 0.00 -1.16 0.00 0.00 60.37 58.91 1j3y h HIS 87 Cb 0.05 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1j3y h HIS 87 CO -0.01 1.18 -0.41 0.00 0.86 0.00 0.00 177.93 179.55 1j3y h ALA 88 N 0.72 0.73 0.00 2.45 0.00 -1.04 0.26 119.26 122.37 1j3y h ALA 88 Ca -0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1j3y h ALA 88 Cb 1.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1j3y h ALA 88 CO 0.14 0.66 -1.31 0.72 0.00 0.00 0.00 179.25 179.46 1j3y n HIS 89 N -4.03 0.00 -0.07 0.00 8.25 -0.46 -4.27 115.22 114.63 1j3y n HIS 89 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1j3y n HIS 89 Cb 0.54 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.31 1j3y n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1j3y n LYS 90 N -2.54 0.67 -0.04 -0.41 4.81 -0.60 -4.61 118.16 115.44 1j3y n LYS 90 Ca -0.09 0.33 -0.17 0.00 -0.87 0.00 0.00 58.31 57.50 1j3y n LYS 90 Cb 0.62 -1.66 -0.14 0.00 0.02 0.00 0.00 35.03 33.87 1j3y n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j3y n LEU 91 N -3.81 2.21 -3.79 3.14 4.77 -0.21 -5.00 117.00 114.30 1j3y n LEU 91 Ca -0.37 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.50 1j3y n LEU 91 Cb 0.92 -0.72 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1j3y n LEU 91 CO 0.28 0.77 0.00 0.54 -1.33 0.00 0.00 177.39 177.65 1j3y n ARG 92 N -3.30 -5.15 -2.32 3.23 1.74 0.90 -4.92 116.66 106.83 1j3y n ARG 92 Ca -0.33 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 56.94 1j3y n ARG 92 Cb 1.04 -5.29 -0.03 0.00 -1.02 0.00 0.00 32.46 27.17 1j3y n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j3y s VAL 93 N -3.53 3.95 0.21 1.55 1.01 -1.20 -4.95 120.40 117.45 1j3y s VAL 93 Ca 0.28 1.30 -0.32 0.00 0.00 0.00 0.00 61.98 63.23 1j3y s VAL 93 Cb -0.14 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 1j3y s VAL 93 CO 0.82 -0.01 1.51 -0.67 0.00 0.00 0.00 175.10 176.74 1j3y n ASP 94 N 5.44 3.02 -0.06 3.32 -0.08 -1.26 -4.82 116.55 122.12 1j3y n ASP 94 Ca 0.12 1.11 0.25 0.00 -1.51 0.00 0.00 54.79 54.77 1j3y n ASP 94 Cb 0.45 -1.44 0.69 0.00 2.34 0.00 0.00 41.12 43.16 1j3y n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j3y h PRO 95 N 5.09 0.00 0.00 -0.67 0.11 -1.98 -1.72 132.00 132.83 1j3y h PRO 95 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j3y h PRO 95 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1j3y h PRO 95 CO 0.82 0.00 -0.02 -0.39 -0.21 0.00 0.00 178.00 178.20 1j3y h VAL 96 N 0.00 0.28 0.00 3.15 -1.51 -2.03 -2.82 116.25 113.32 1j3y h VAL 96 Ca 0.33 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.67 1j3y h VAL 96 Cb 1.66 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1j3y h VAL 96 CO -0.00 0.02 -0.02 0.78 -1.23 0.00 0.00 177.57 177.12 1j3y h ASN 97 N 0.00 0.00 -0.32 4.19 4.21 -1.66 -3.25 115.58 118.75 1j3y h ASN 97 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1j3y h ASN 97 Cb 0.09 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1j3y h ASN 97 CO 0.00 0.02 -0.05 -0.26 -1.29 0.00 0.00 177.43 175.85 1j3y h PHE 98 N 0.00 0.76 0.00 1.19 -1.00 -1.70 -0.76 116.94 115.42 1j3y h PHE 98 Ca -0.00 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.63 1j3y h PHE 98 Cb 0.77 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 1j3y h PHE 98 CO 0.00 0.74 -0.16 1.57 -1.61 0.00 0.00 178.31 178.85 1j3y h LYS 99 N 0.66 0.00 0.00 1.51 2.10 -1.76 -0.31 116.57 118.77 1j3y h LYS 99 Ca 0.12 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1j3y h LYS 99 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1j3y h LYS 99 CO 0.02 0.16 -0.00 -0.07 -2.00 0.00 0.00 179.45 177.56 1j3y h LEU 100 N 0.00 -0.00 -0.85 7.07 3.38 -1.30 -1.15 115.31 122.45 1j3y h LEU 100 Ca -0.00 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 1j3y h LEU 100 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1j3y h LEU 100 CO 0.02 0.61 0.31 0.25 0.09 0.00 0.00 178.44 179.72 1j3y h LEU 101 N -0.61 1.06 -0.48 1.67 5.85 -1.33 -1.89 115.31 119.58 1j3y h LEU 101 Ca -0.00 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1j3y h LEU 101 Cb 0.61 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1j3y h LEU 101 CO 0.00 0.94 0.26 0.28 -0.34 0.00 0.00 178.44 179.58 1j3y h SER 102 N 1.13 0.39 -0.37 1.25 0.02 -1.01 0.86 113.55 115.81 1j3y h SER 102 Ca 0.26 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1j3y h SER 102 Cb 0.21 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1j3y h SER 102 CO -0.02 0.27 0.21 -0.74 -1.14 0.00 0.00 176.83 175.41 1j3y h HIS 103 N 0.51 0.40 -0.64 3.45 -0.00 -1.02 -0.91 115.15 116.94 1j3y h HIS 103 Ca 0.21 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1j3y h HIS 103 Cb 0.08 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.34 1j3y h HIS 103 CO -0.09 0.23 0.31 0.00 -0.00 0.00 0.00 177.93 178.38 1j3y h LEU 105 N 0.90 0.51 -0.81 0.00 3.38 -0.59 -1.15 115.31 117.55 1j3y h LEU 105 Ca 0.22 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1j3y h LEU 105 Cb 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1j3y h LEU 105 CO -0.03 0.50 0.53 -0.07 0.09 0.00 0.00 178.44 179.46 1j3y h LEU 106 N 0.48 0.93 -0.65 1.67 3.38 -0.55 -1.02 115.31 119.55 1j3y h LEU 106 Ca 0.13 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1j3y h LEU 106 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1j3y h LEU 106 CO -0.02 0.68 0.18 0.58 0.09 0.00 0.00 178.44 179.95 1j3y h VAL 107 N 1.10 1.25 -0.42 1.22 2.07 -0.83 0.29 116.25 120.93 1j3y h VAL 107 Ca 0.30 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1j3y h VAL 107 Cb -0.12 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1j3y h VAL 107 CO -0.06 0.35 0.13 0.74 0.02 0.00 0.00 177.57 178.74 1j3y h THR 108 N 0.96 1.22 -0.60 2.57 2.02 -0.85 -1.04 112.91 117.19 1j3y h THR 108 Ca 0.21 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1j3y h THR 108 Cb 0.34 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1j3y h THR 108 CO -0.00 0.26 0.22 -0.07 0.37 0.00 0.00 175.52 176.30 1j3y h LEU 109 N 0.54 0.85 -0.87 2.58 3.38 -0.99 -2.53 115.31 118.28 1j3y h LEU 109 Ca 0.14 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1j3y h LEU 109 Cb 0.27 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1j3y h LEU 109 CO -0.00 0.80 0.52 0.00 0.09 0.00 0.00 178.44 179.85 1j3y h ALA 110 N 1.07 1.24 0.00 1.53 0.00 -0.63 -0.24 119.26 122.23 1j3y h ALA 110 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1j3y h ALA 110 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1j3y h ALA 110 CO -0.01 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1j3y h ALA 111 N 1.46 1.00 -0.00 0.00 0.00 -0.79 -3.25 119.26 117.67 1j3y h ALA 111 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1j3y h ALA 111 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1j3y h ALA 111 CO -0.23 0.00 -0.30 0.72 0.00 0.00 0.00 179.25 179.43 1j3y n HIS 112 N -2.71 0.00 -3.29 0.00 -0.00 -0.83 -4.85 115.22 103.54 1j3y n HIS 112 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.48 1j3y n HIS 112 Cb 0.32 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.24 1j3y n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1j3y n LEU 113 N -1.14 3.11 -0.07 2.41 4.77 -0.16 -4.96 117.00 120.96 1j3y n LEU 113 Ca 0.01 -5.33 -0.08 0.00 -0.03 0.00 0.00 56.01 50.58 1j3y n LEU 113 Cb 0.10 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1j3y n LEU 113 CO 0.13 2.12 0.92 1.55 -1.33 0.00 0.00 177.39 180.78 1j3y h PRO 114 N 3.89 0.19 0.00 3.23 0.13 -1.86 -0.70 132.00 136.89 1j3y h PRO 114 Ca 0.16 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 65.07 1j3y h PRO 114 Cb 0.69 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1j3y h PRO 114 CO 0.75 0.13 -0.91 0.00 -0.23 0.00 0.00 178.00 177.74 1j3y h ALA 115 N 1.17 0.43 0.05 -0.56 0.00 -1.96 -3.35 119.26 115.03 1j3y h ALA 115 Ca 0.12 -0.71 -0.24 0.00 0.00 0.00 0.00 54.91 54.07 1j3y h ALA 115 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j3y h ALA 115 CO -0.12 0.86 -1.18 0.93 0.00 0.00 0.00 179.25 179.73 1j3y h GLU 116 N 0.18 0.10 -3.03 0.00 3.07 -1.90 -3.38 114.58 109.62 1j3y h GLU 116 Ca -0.06 -0.16 -0.70 0.00 -0.50 0.00 0.00 59.36 57.93 1j3y h GLU 116 Cb 1.54 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 29.47 1j3y h GLU 116 CO 0.15 1.03 3.19 0.34 -1.40 0.00 0.00 179.01 182.31 1j3y n PHE 117 N -3.38 2.64 -1.41 4.33 7.35 -0.29 -4.72 117.46 121.97 1j3y n PHE 117 Ca -0.05 -2.97 -0.29 0.00 -0.76 0.00 0.00 57.45 53.37 1j3y n PHE 117 Cb 0.98 -2.25 0.13 0.00 0.35 0.00 0.00 39.48 38.69 1j3y n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j3y s THR 118 N 1.08 2.47 0.21 -2.13 -4.23 -1.26 -4.73 115.64 107.06 1j3y s THR 118 Ca 0.60 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 61.18 1j3y s THR 118 Cb 0.17 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.36 1j3y s THR 118 CO -0.07 -0.20 1.81 -0.65 -0.54 0.00 0.00 174.62 174.97 1j3y h PRO 119 N -1.45 0.70 -0.85 3.99 0.11 -1.99 0.12 132.00 132.63 1j3y h PRO 119 Ca -0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1j3y h PRO 119 Cb 1.30 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1j3y h PRO 119 CO 0.59 0.46 0.45 0.00 -0.21 0.00 0.00 178.00 179.29 1j3y h ALA 120 N 1.35 1.09 -0.20 -0.75 0.00 -1.96 -0.88 119.26 117.91 1j3y h ALA 120 Ca 0.31 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 1j3y h ALA 120 Cb 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1j3y h ALA 120 CO -0.18 0.62 -0.70 0.28 0.00 0.00 0.00 179.25 179.27 1j3y h VAL 121 N 1.19 1.27 -0.38 0.00 2.07 -1.69 -1.73 116.25 116.98 1j3y h VAL 121 Ca 0.30 -1.88 0.07 0.00 0.82 0.00 0.00 66.70 66.01 1j3y h VAL 121 Cb 0.06 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1j3y h VAL 121 CO -0.04 0.60 -0.05 -0.74 0.02 0.00 0.00 177.57 177.36 1j3y h HIS 122 N 0.59 -0.12 -0.32 1.57 6.17 -0.63 0.11 115.15 122.52 1j3y h HIS 122 Ca -0.03 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1j3y h HIS 122 Cb 1.32 0.11 -0.02 0.00 2.52 0.00 0.00 27.41 31.35 1j3y h HIS 122 CO 0.08 -0.13 0.21 0.00 0.71 0.00 0.00 177.93 178.80 1j3y h ALA 123 N 1.36 0.41 -0.59 5.26 0.00 -0.93 -0.38 119.26 124.40 1j3y h ALA 123 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1j3y h ALA 123 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1j3y h ALA 123 CO -0.36 -0.11 0.28 0.77 0.00 0.00 0.00 179.25 179.83 1j3y h SER 124 N 0.43 0.78 -0.83 0.00 0.02 -0.90 -1.04 113.55 112.01 1j3y h SER 124 Ca 0.12 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1j3y h SER 124 Cb -0.03 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1j3y h SER 124 CO -0.02 0.69 0.43 -0.07 -1.14 0.00 0.00 176.83 176.72 1j3y h LEU 125 N 0.81 1.06 -0.47 5.07 3.38 -0.61 0.48 115.31 125.03 1j3y h LEU 125 Ca 0.20 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1j3y h LEU 125 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1j3y h LEU 125 CO -0.02 0.88 0.12 -0.78 0.09 0.00 0.00 178.44 178.72 1j3y h ASP 126 N 1.17 0.70 -0.54 -0.43 3.58 -0.70 0.01 116.42 120.21 1j3y h ASP 126 Ca 0.29 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1j3y h ASP 126 Cb 0.07 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 1j3y h ASP 126 CO -0.04 0.75 0.30 0.11 -2.88 0.00 0.00 179.24 177.47 1j3y h LYS 127 N 0.63 0.75 -0.22 0.28 1.57 -0.85 -1.01 116.57 117.71 1j3y h LYS 127 Ca 0.15 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1j3y h LYS 127 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1j3y h LYS 127 CO 0.00 0.57 0.12 0.35 -0.57 0.00 0.00 179.45 179.93 1j3y h PHE 128 N 0.72 0.23 -0.22 -1.35 3.57 -0.51 -0.40 116.94 118.97 1j3y h PHE 128 Ca 0.19 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1j3y h PHE 128 Cb 0.04 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1j3y h PHE 128 CO -0.02 0.13 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.91 1j3y h LEU 129 N 0.26 0.40 -0.93 0.59 3.38 -0.81 -0.96 115.31 117.23 1j3y h LEU 129 Ca 0.09 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1j3y h LEU 129 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1j3y h LEU 129 CO -0.05 0.63 0.10 0.00 0.09 0.00 0.00 178.44 179.21 1j3y h ALA 130 N 1.40 1.13 -0.28 1.53 0.00 -0.88 -0.98 119.26 121.19 1j3y h ALA 130 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1j3y h ALA 130 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j3y h ALA 130 CO 0.04 0.58 -0.28 1.03 0.00 0.00 0.00 179.25 180.62 1j3y h SER 131 N 0.84 0.72 -0.58 0.00 0.87 -0.46 0.50 113.55 115.44 1j3y h SER 131 Ca 0.18 -0.47 0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1j3y h SER 131 Cb 0.36 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1j3y h SER 131 CO 0.01 1.05 0.35 0.58 -0.53 0.00 0.00 176.83 178.28 1j3y h VAL 132 N 0.41 1.05 -0.60 2.23 2.07 -1.09 -0.45 116.25 119.87 1j3y h VAL 132 Ca 0.04 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1j3y h VAL 132 Cb 0.84 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1j3y h VAL 132 CO 0.07 0.12 0.35 0.28 0.02 0.00 0.00 177.57 178.41 1j3y h SER 133 N 0.68 0.73 -0.34 0.57 0.02 -0.99 -0.15 113.55 114.07 1j3y h SER 133 Ca 0.24 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1j3y h SER 133 Cb 0.04 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1j3y h SER 133 CO -0.11 0.59 0.17 0.74 -1.14 0.00 0.00 176.83 177.08 1j3y h THR 134 N 0.81 0.98 -0.59 -2.27 2.02 -0.52 -1.45 112.91 111.90 1j3y h THR 134 Ca 0.21 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1j3y h THR 134 Cb 0.00 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1j3y h THR 134 CO -0.04 0.06 0.39 0.58 0.37 0.00 0.00 175.52 176.88 1j3y h VAL 135 N 0.35 1.15 0.00 3.16 2.07 -0.66 -2.25 116.25 120.06 1j3y h VAL 135 Ca 0.15 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1j3y h VAL 135 Cb 0.06 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1j3y h VAL 135 CO -0.10 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.56 1j3y h LEU 136 N 0.79 0.00 -2.93 2.57 3.38 -0.64 -2.27 115.31 116.21 1j3y h LEU 136 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1j3y h LEU 136 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1j3y h LEU 136 CO -0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.83 1j3y n THR 137 N -2.97 1.25 0.54 0.22 -2.24 -0.58 -4.51 114.28 106.00 1j3y n THR 137 Ca 0.00 -1.12 0.13 0.00 -2.27 0.00 0.00 64.05 60.79 1j3y n THR 137 Cb 0.26 0.37 0.41 0.00 -2.10 0.00 0.00 70.33 69.27 1j3y n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1j3y h SER 138 N 2.85 0.00 -0.23 3.42 4.64 -0.82 -3.26 113.55 120.14 1j3y h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3y h SER 138 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1j3y h SER 138 CO 0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1j3y n LYS 139 N -2.34 2.74 0.19 4.77 5.02 -1.26 -4.72 118.16 122.55 1j3y n LYS 139 Ca 0.05 -2.39 0.03 0.00 -2.02 0.00 0.00 58.31 53.98 1j3y n LYS 139 Cb 0.40 -1.51 0.38 0.00 -0.02 0.00 0.00 35.03 34.28 1j3y n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1j3y h TYR 140 N 1.49 0.03 0.00 2.13 -1.99 -1.88 -3.47 116.97 113.28 1j3y h TYR 140 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1j3y h TYR 140 Cb 1.04 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.76 1j3y h TYR 140 CO 0.29 0.34 0.00 2.89 -0.00 0.00 0.00 178.16 181.69