#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7y s LEU 2 N 0.00 4.14 0.89 3.17 1.43 -1.26 -5.07 118.68 121.99 1j7y s LEU 2 Ca 0.00 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 53.63 1j7y s LEU 2 Cb 0.00 -2.71 0.14 0.00 0.03 0.00 0.00 46.19 43.65 1j7y s LEU 2 CO 0.00 -0.19 1.21 -0.94 0.23 0.00 0.00 176.35 176.67 1j7y s SER 3 N 1.17 3.73 0.30 2.29 1.04 -1.26 -4.86 113.70 116.11 1j7y s SER 3 Ca 0.24 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.33 1j7y s SER 3 Cb -0.15 -1.00 0.49 0.00 0.10 0.00 0.00 66.02 65.45 1j7y s SER 3 CO 0.10 -2.38 1.82 -0.65 0.98 0.00 0.00 173.24 173.11 1j7y h PRO 4 N -1.39 0.63 -0.39 4.02 0.11 -1.99 -1.46 132.00 131.54 1j7y h PRO 4 Ca -0.46 -0.15 -0.11 0.00 0.11 0.00 0.00 66.00 65.38 1j7y h PRO 4 Cb 1.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1j7y h PRO 4 CO 0.55 0.66 -0.22 0.00 -0.21 0.00 0.00 178.00 178.78 1j7y h ALA 5 N 1.40 0.89 -0.39 -0.75 0.00 -1.99 -0.96 119.26 117.45 1j7y h ALA 5 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1j7y h ALA 5 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j7y h ALA 5 CO 0.01 0.63 0.21 -0.44 0.00 0.00 0.00 179.25 179.66 1j7y h ASP 6 N 0.67 0.49 -0.59 0.00 3.32 -1.74 -0.42 116.42 118.16 1j7y h ASP 6 Ca 0.09 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1j7y h ASP 6 Cb 0.73 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1j7y h ASP 6 CO 0.06 0.44 0.31 0.11 -1.72 0.00 0.00 179.24 178.43 1j7y h LYS 7 N 0.50 0.83 -0.57 3.56 1.57 -0.84 0.10 116.57 121.72 1j7y h LYS 7 Ca 0.14 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1j7y h LYS 7 Cb 0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1j7y h LYS 7 CO -0.02 0.65 0.37 1.15 -0.57 0.00 0.00 179.45 181.03 1j7y h THR 8 N 0.80 1.12 -0.30 -0.16 2.02 -0.92 -1.07 112.91 114.39 1j7y h THR 8 Ca 0.20 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1j7y h THR 8 Cb 0.08 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1j7y h THR 8 CO -0.03 0.14 0.18 0.78 0.37 0.00 0.00 175.52 176.95 1j7y h ASN 9 N 0.74 0.37 -0.65 4.18 2.35 -0.70 -1.64 115.58 120.23 1j7y h ASN 9 Ca 0.22 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1j7y h ASN 9 Cb -0.05 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1j7y h ASN 9 CO -0.06 0.32 0.20 0.58 -1.65 0.00 0.00 177.43 176.81 1j7y h VAL 10 N 0.38 1.25 -0.63 2.81 2.07 -0.61 -0.97 116.25 120.55 1j7y h VAL 10 Ca 0.11 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1j7y h VAL 10 Cb 0.02 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1j7y h VAL 10 CO -0.02 0.33 0.11 0.11 0.02 0.00 0.00 177.57 178.12 1j7y h LYS 11 N 0.94 1.03 -0.16 1.57 1.57 -1.03 0.36 116.57 120.86 1j7y h LYS 11 Ca 0.21 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1j7y h LYS 11 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1j7y h LYS 11 CO -0.01 0.95 0.01 0.00 -0.57 0.00 0.00 179.45 179.83 1j7y h ALA 12 N 1.14 0.21 -0.26 3.86 0.00 -1.11 0.35 119.26 123.45 1j7y h ALA 12 Ca 0.20 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1j7y h ALA 12 Cb 0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j7y h ALA 12 CO 0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 1j7y h ALA 13 N 0.78 0.37 -0.14 0.00 0.00 -1.04 -1.99 119.26 117.24 1j7y h ALA 13 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1j7y h ALA 13 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1j7y h ALA 13 CO 0.01 0.31 -0.35 2.35 0.00 0.00 0.00 179.25 181.57 1j7y h TRP 14 N 0.31 0.33 -0.80 0.00 2.91 -0.98 -2.51 115.95 115.21 1j7y h TRP 14 Ca 0.05 -0.08 0.02 0.00 1.13 0.00 0.00 58.89 60.01 1j7y h TRP 14 Cb 0.75 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.27 1j7y h TRP 14 CO 0.07 0.61 0.52 0.78 -1.03 0.00 0.00 178.44 179.39 1j7y h GLY 15 N 1.11 1.15 1.38 2.65 0.00 -0.80 -2.03 103.07 106.52 1j7y h GLY 15 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1j7y h GLY 15 CO 0.06 0.37 0.21 1.70 0.00 0.00 0.00 176.54 178.87 1j7y h LYS 16 N 1.04 0.80 -0.65 4.80 1.63 -1.04 -2.46 116.57 120.68 1j7y h LYS 16 Ca 0.31 -0.12 0.05 0.00 -0.85 0.00 0.00 60.65 60.03 1j7y h LYS 16 Cb -0.05 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.39 1j7y h LYS 16 CO -0.09 0.66 0.37 0.28 -3.45 0.00 0.00 179.45 177.23 1j7y h VAL 17 N 0.79 1.01 0.00 2.00 2.07 -0.96 -3.45 116.25 117.71 1j7y h VAL 17 Ca 0.19 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1j7y h VAL 17 Cb 0.17 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1j7y h VAL 17 CO -0.02 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1j7y n GLY 18 N -1.28 2.86 0.18 2.17 0.00 -0.93 -0.95 105.19 107.24 1j7y n GLY 18 Ca 0.07 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1j7y n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j7y h ALA 19 N -0.32 1.00 -0.01 4.61 0.00 -1.89 -2.52 119.26 120.13 1j7y h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j7y h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j7y h ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1j7y n HIS 20 N -2.46 0.00 -0.17 0.00 8.25 -0.12 -4.44 115.22 116.28 1j7y n HIS 20 Ca 0.01 -0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1j7y n HIS 20 Cb 0.21 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.35 1j7y n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j7y h ALA 21 N 4.20 0.14 -0.53 -1.41 0.00 -1.54 -0.72 119.26 119.40 1j7y h ALA 21 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1j7y h ALA 21 Cb 0.29 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1j7y h ALA 21 CO 0.00 -0.56 0.28 0.78 0.00 0.00 0.00 179.25 179.75 1j7y h GLY 22 N -0.11 0.75 0.95 0.00 0.00 -1.81 0.13 103.07 102.99 1j7y h GLY 22 Ca 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.39 1j7y h GLY 22 CO -0.59 0.12 0.44 -2.09 0.00 0.00 0.00 176.54 174.42 1j7y h GLU 23 N 0.54 0.87 -0.24 4.80 4.81 -1.61 -1.45 114.58 122.30 1j7y h GLU 23 Ca 0.23 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1j7y h GLU 23 Cb 0.13 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1j7y h GLU 23 CO -0.16 0.57 -0.39 1.88 -0.73 0.00 0.00 179.01 180.19 1j7y h TYR 24 N 0.89 0.64 -0.54 0.92 0.05 -0.72 -1.72 116.97 116.49 1j7y h TYR 24 Ca 0.26 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1j7y h TYR 24 Cb -0.05 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1j7y h TYR 24 CO -0.03 0.85 0.29 0.78 -1.05 0.00 0.00 178.16 179.00 1j7y h GLY 25 N 1.06 0.81 0.99 3.88 0.00 -0.37 -0.01 103.07 109.43 1j7y h GLY 25 Ca 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1j7y h GLY 25 CO 0.07 0.35 0.30 0.00 0.00 0.00 0.00 176.54 177.27 1j7y h ALA 26 N 1.13 0.67 -0.51 3.60 0.00 -1.10 -1.98 119.26 121.06 1j7y h ALA 26 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1j7y h ALA 26 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1j7y h ALA 26 CO -0.03 0.17 0.03 1.49 0.00 0.00 0.00 179.25 180.92 1j7y h GLU 27 N 0.70 0.83 -0.45 0.00 4.81 -1.10 -0.88 114.58 118.49 1j7y h GLU 27 Ca 0.19 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1j7y h GLU 27 Cb 0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1j7y h GLU 27 CO -0.03 0.81 0.22 0.00 -0.73 0.00 0.00 179.01 179.28 1j7y h ALA 28 N 1.25 0.59 -0.59 2.92 0.00 -0.78 0.85 119.26 123.50 1j7y h ALA 28 Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1j7y h ALA 28 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j7y h ALA 28 CO 0.02 0.15 0.16 1.88 0.00 0.00 0.00 179.25 181.45 1j7y h TYR 29 N 0.59 0.97 -0.57 0.00 -1.99 -0.98 -1.26 116.97 113.74 1j7y h TYR 29 Ca 0.16 -0.11 0.02 0.00 2.00 0.00 0.00 58.73 60.80 1j7y h TYR 29 Cb 0.12 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.54 1j7y h TYR 29 CO -0.01 0.82 0.35 1.49 -0.00 0.00 0.00 178.16 180.82 1j7y h GLU 30 N 0.84 0.69 -0.64 4.88 4.81 -0.87 0.48 114.58 124.78 1j7y h GLU 30 Ca 0.19 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1j7y h GLU 30 Cb 0.33 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1j7y h GLU 30 CO -0.00 0.46 0.39 0.00 -0.73 0.00 0.00 179.01 179.13 1j7y h ARG 31 N 0.71 0.86 -0.35 1.92 3.08 -0.62 -2.04 114.38 117.93 1j7y h ARG 31 Ca 0.22 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1j7y h ARG 31 Cb -0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1j7y h ARG 31 CO -0.08 0.60 0.06 1.98 -1.07 0.00 0.00 179.97 181.46 1j7y h MET 32 N 0.86 0.58 -0.80 0.04 4.05 -0.45 -0.24 114.93 118.98 1j7y h MET 32 Ca 0.23 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1j7y h MET 32 Cb -0.04 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 1j7y h MET 32 CO -0.04 0.65 0.48 0.74 0.23 0.00 0.00 176.91 178.96 1j7y h PHE 33 N 0.41 1.05 -0.01 1.39 0.04 -0.76 0.26 116.94 119.32 1j7y h PHE 33 Ca 0.11 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.72 1j7y h PHE 33 Cb 0.35 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.17 1j7y h PHE 33 CO 0.02 0.70 -0.59 -0.07 -0.60 0.00 0.00 178.31 177.77 1j7y h LEU 34 N 1.10 0.54 -0.37 1.54 3.38 -1.25 -3.26 115.31 116.98 1j7y h LEU 34 Ca 0.29 -0.75 -0.19 0.00 0.09 0.00 0.00 57.88 57.32 1j7y h LEU 34 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1j7y h LEU 34 CO -0.05 1.22 -0.79 0.28 0.09 0.00 0.00 178.44 179.18 1j7y h SER 35 N -0.09 0.37 -2.79 -0.43 0.02 -0.88 -3.39 113.55 106.36 1j7y h SER 35 Ca -0.07 -0.26 -0.61 0.00 -0.84 0.00 0.00 61.79 60.01 1j7y h SER 35 Cb 1.30 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.33 1j7y h SER 35 CO 0.12 1.02 -0.76 -0.36 -1.14 0.00 0.00 176.83 175.71 1j7y s PHE 36 N -3.45 2.41 0.62 3.45 0.08 0.90 -4.99 117.98 117.00 1j7y s PHE 36 Ca -0.04 -2.86 0.39 0.00 0.12 0.00 0.00 56.93 54.54 1j7y s PHE 36 Cb 0.10 -1.88 2.18 0.00 -0.57 0.00 0.00 43.02 42.85 1j7y s PHE 36 CO 0.83 -0.68 2.32 -1.35 -0.10 0.00 0.00 175.22 176.24 1j7y h PRO 37 N 5.56 0.00 0.00 0.24 0.11 -1.73 -0.98 132.00 135.19 1j7y h PRO 37 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1j7y h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1j7y h PRO 37 CO 0.56 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 180.10 1j7y h THR 38 N 0.00 0.23 0.00 -1.15 1.35 -1.91 -1.58 112.91 109.85 1j7y h THR 38 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1j7y h THR 38 Cb 0.02 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1j7y h THR 38 CO 0.00 0.04 0.00 0.71 -0.25 0.00 0.00 175.52 176.02 1j7y h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.49 -2.24 112.91 117.34 1j7y h THR 39 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1j7y h THR 39 Cb 0.23 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1j7y h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1j7y h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.47 -2.72 116.57 118.66 1j7y h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1j7y h LYS 40 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1j7y h LYS 40 CO 0.00 0.00 -0.03 1.79 -0.57 0.00 0.00 179.45 180.64 1j7y h THR 41 N 0.00 0.21 -0.00 -0.16 1.35 -1.57 -1.51 112.91 111.22 1j7y h THR 41 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1j7y h THR 41 Cb 0.31 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1j7y h THR 41 CO 0.00 0.03 -0.22 -1.22 -0.25 0.00 0.00 175.52 173.85 1j7y n TYR 42 N -3.33 0.00 -2.59 4.73 4.01 -1.03 -4.39 117.16 114.57 1j7y n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1j7y n TYR 42 Cb 0.16 -0.29 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 1j7y n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j7y n PHE 43 N -1.27 2.25 0.38 -0.72 3.72 -0.57 -4.85 117.46 116.40 1j7y n PHE 43 Ca 0.09 -2.99 0.13 0.00 -0.05 0.00 0.00 57.45 54.64 1j7y n PHE 43 Cb 0.32 -0.24 0.54 0.00 -0.94 0.00 0.00 39.48 39.15 1j7y n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1j7y h PRO 44 N 2.80 0.00 -0.12 -1.08 0.13 -1.76 -2.43 132.00 129.54 1j7y h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1j7y h PRO 44 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1j7y h PRO 44 CO 0.67 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 1j7y n HIS 45 N -2.49 0.14 -4.16 1.56 1.44 -1.26 -4.90 115.22 105.54 1j7y n HIS 45 Ca 0.02 -0.07 -0.28 0.00 -2.01 0.00 0.00 57.72 55.38 1j7y n HIS 45 Cb 0.27 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.30 1j7y n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j7y s PHE 46 N -1.86 2.92 -0.32 -1.40 0.40 -0.92 -5.08 117.98 111.73 1j7y s PHE 46 Ca 0.35 -0.08 -0.29 0.00 -0.60 0.00 0.00 56.93 56.30 1j7y s PHE 46 Cb 0.19 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1j7y s PHE 46 CO 0.30 0.49 1.10 0.34 0.70 0.00 0.00 175.22 178.15 1j7y s ASP 47 N -2.64 6.91 -0.02 1.36 2.15 -1.26 -4.90 116.67 118.27 1j7y s ASP 47 Ca 0.27 1.07 0.20 0.00 0.43 0.00 0.00 52.55 54.52 1j7y s ASP 47 Cb -0.10 -2.54 0.61 0.00 -0.30 0.00 0.00 42.92 40.58 1j7y s ASP 47 CO 0.18 -0.89 1.52 0.18 -0.17 0.00 0.00 175.17 175.99 1j7y n LEU 48 N 6.92 3.96 -4.72 -1.34 4.77 -1.26 -4.54 117.00 120.80 1j7y n LEU 48 Ca 0.12 -2.09 -0.34 0.00 -0.03 0.00 0.00 56.01 53.67 1j7y n LEU 48 Cb 0.47 -0.47 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1j7y n LEU 48 CO 0.59 0.92 0.80 -0.94 -1.33 0.00 0.00 177.39 177.43 1j7y s SER 49 N -1.00 4.08 0.22 -1.43 1.04 -1.26 -4.88 113.70 110.47 1j7y s SER 49 Ca 0.46 2.37 -0.32 0.00 0.48 0.00 0.00 55.95 58.94 1j7y s SER 49 Cb 0.25 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.64 1j7y s SER 49 CO 0.29 -2.34 1.42 1.57 0.98 0.00 0.00 173.24 175.15 1j7y n HIS 50 N -2.83 2.11 -0.26 5.02 -0.00 -1.26 -1.80 115.22 116.21 1j7y n HIS 50 Ca 0.13 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.74 1j7y n HIS 50 Cb 0.50 -2.46 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 1j7y n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j7y n GLY 51 N 2.33 1.27 3.64 1.57 0.00 -1.26 -5.02 105.19 107.72 1j7y n GLY 51 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1j7y n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j7y n SER 52 N 0.00 1.91 -0.14 1.61 3.41 -0.74 -4.83 113.62 114.83 1j7y n SER 52 Ca 0.00 1.13 -0.02 0.00 -0.26 0.00 0.00 58.87 59.72 1j7y n SER 52 Cb 0.00 -1.40 0.20 0.00 -0.26 0.00 0.00 64.21 62.75 1j7y n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7y h ALA 53 N 2.03 1.25 -0.54 7.33 0.00 -1.91 -0.73 119.26 126.69 1j7y h ALA 53 Ca -0.44 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1j7y h ALA 53 Cb 1.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1j7y h ALA 53 CO 0.60 0.53 -0.03 1.96 0.00 0.00 0.00 179.25 182.31 1j7y h GLN 54 N 0.83 0.96 -0.19 0.00 4.20 -1.90 0.42 115.11 119.44 1j7y h GLN 54 Ca 0.19 -0.30 -0.19 0.00 0.06 0.00 0.00 58.65 58.41 1j7y h GLN 54 Cb 0.23 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1j7y h GLN 54 CO -0.01 0.96 -0.65 0.28 -0.67 0.00 0.00 178.83 178.74 1j7y h VAL 55 N 0.87 1.30 -0.81 -0.54 2.07 -1.65 -0.85 116.25 116.66 1j7y h VAL 55 Ca 0.15 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 1j7y h VAL 55 Cb 0.56 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1j7y h VAL 55 CO 0.03 0.60 0.46 0.11 0.02 0.00 0.00 177.57 178.79 1j7y h LYS 56 N 0.51 1.11 -0.61 1.57 1.57 -0.96 -0.26 116.57 119.49 1j7y h LYS 56 Ca -0.02 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1j7y h LYS 56 Cb 1.24 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1j7y h LYS 56 CO 0.13 0.80 0.15 0.78 -0.57 0.00 0.00 179.45 180.75 1j7y h GLY 57 N 1.11 1.05 0.98 3.86 0.00 -0.65 -1.12 103.07 108.30 1j7y h GLY 57 Ca 0.29 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1j7y h GLY 57 CO -0.05 0.61 0.26 -1.61 0.00 0.00 0.00 176.54 175.74 1j7y h GLN 58 N 0.89 0.72 -0.54 4.80 5.75 -0.83 -1.61 115.11 124.29 1j7y h GLN 58 Ca 0.19 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1j7y h GLN 58 Cb 0.34 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 1j7y h GLN 58 CO 0.00 0.59 0.31 0.78 -2.65 0.00 0.00 178.83 177.86 1j7y h GLY 59 N 0.68 0.76 1.13 2.39 0.00 -0.81 -0.31 103.07 106.91 1j7y h GLY 59 Ca 0.18 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1j7y h GLY 59 CO -0.02 0.17 -0.07 1.70 0.00 0.00 0.00 176.54 178.32 1j7y h LYS 60 N 0.60 1.02 -0.43 4.80 3.64 -0.92 -0.48 116.57 124.81 1j7y h LYS 60 Ca 0.22 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1j7y h LYS 60 Cb 0.07 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1j7y h LYS 60 CO -0.12 1.04 -0.22 0.87 -2.27 0.00 0.00 179.45 178.75 1j7y h LYS 61 N 0.92 0.88 -0.35 1.90 1.57 -0.87 -0.94 116.57 119.67 1j7y h LYS 61 Ca 0.15 -0.36 -0.15 0.00 -1.87 0.00 0.00 60.65 58.41 1j7y h LYS 61 Cb 0.63 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1j7y h LYS 61 CO 0.04 1.01 -0.38 0.28 -0.57 0.00 0.00 179.45 179.83 1j7y h VAL 62 N 0.76 1.28 -0.35 0.50 2.07 -0.98 -1.60 116.25 117.93 1j7y h VAL 62 Ca 0.10 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 1j7y h VAL 62 Cb 0.76 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1j7y h VAL 62 CO 0.06 0.51 0.15 0.00 0.02 0.00 0.00 177.57 178.31 1j7y h ALA 63 N 0.74 0.45 -0.93 1.67 0.00 -0.94 -0.79 119.26 119.47 1j7y h ALA 63 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j7y h ALA 63 Cb 0.98 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1j7y h ALA 63 CO 0.09 0.04 0.61 -0.44 0.00 0.00 0.00 179.25 179.55 1j7y h ASP 64 N 0.41 1.04 -0.50 0.00 5.19 -1.05 0.45 116.42 121.96 1j7y h ASP 64 Ca 0.12 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 1j7y h ASP 64 Cb 0.17 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1j7y h ASP 64 CO -0.01 0.74 0.05 0.00 -3.12 0.00 0.00 179.24 176.90 1j7y h ALA 65 N 1.44 1.05 -0.48 3.45 0.00 -0.80 -1.27 119.26 122.65 1j7y h ALA 65 Ca 0.35 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1j7y h ALA 65 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1j7y h ALA 65 CO -0.09 0.60 -0.12 -0.07 0.00 0.00 0.00 179.25 179.57 1j7y h LEU 66 N 0.85 0.89 -0.23 0.00 3.38 -0.39 -0.16 115.31 119.65 1j7y h LEU 66 Ca 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1j7y h LEU 66 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1j7y h LEU 66 CO 0.01 1.02 0.15 0.74 0.09 0.00 0.00 178.44 180.45 1j7y h THR 67 N 0.80 1.05 -0.32 0.22 2.02 -0.58 0.63 112.91 116.73 1j7y h THR 67 Ca 0.13 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1j7y h THR 67 Cb 0.65 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1j7y h THR 67 CO 0.05 0.06 0.02 -1.13 0.37 0.00 0.00 175.52 174.88 1j7y h ASN 68 N 0.31 -0.08 -0.69 4.18 -1.24 -0.97 -0.35 115.58 116.74 1j7y h ASN 68 Ca 0.09 0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.17 1j7y h ASN 68 Cb -0.03 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 1j7y h ASN 68 CO -0.02 -0.00 0.45 0.00 -1.29 0.00 0.00 177.43 176.56 1j7y h ALA 69 N 1.26 0.88 -0.69 1.57 0.00 -0.52 -1.35 119.26 120.41 1j7y h ALA 69 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1j7y h ALA 69 Cb 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1j7y h ALA 69 CO -0.23 0.31 0.25 0.28 0.00 0.00 0.00 179.25 179.86 1j7y h VAL 70 N 0.94 1.25 0.00 0.00 2.07 -0.66 0.26 116.25 120.11 1j7y h VAL 70 Ca 0.25 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1j7y h VAL 70 Cb -0.10 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1j7y h VAL 70 CO -0.05 0.32 -0.16 0.00 0.02 0.00 0.00 177.57 177.70 1j7y h ALA 71 N 1.11 1.30 -0.55 1.67 0.00 -0.60 -3.04 119.26 119.15 1j7y h ALA 71 Ca 0.23 -0.14 -0.40 0.00 0.00 0.00 0.00 54.91 54.60 1j7y h ALA 71 Cb 0.25 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 17.67 1j7y h ALA 71 CO -0.01 0.20 -0.81 0.72 0.00 0.00 0.00 179.25 179.35 1j7y n HIS 72 N -3.71 1.96 0.20 0.00 -0.00 -0.55 -4.91 115.22 108.21 1j7y n HIS 72 Ca -0.02 -2.02 0.18 0.00 -0.00 0.00 0.00 57.72 55.86 1j7y n HIS 72 Cb 0.27 -0.30 0.83 0.00 -0.00 0.00 0.00 29.99 30.79 1j7y n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1j7y h VAL 73 N 2.59 0.43 -0.00 1.59 3.04 -0.84 0.15 116.25 123.20 1j7y h VAL 73 Ca 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1j7y h VAL 73 Cb 1.42 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1j7y h VAL 73 CO 0.52 0.00 -0.20 0.47 -1.01 0.00 0.00 177.57 177.36 1j7y n ASP 74 N -3.74 0.35 -3.03 3.17 8.00 -1.26 -4.17 116.55 115.87 1j7y n ASP 74 Ca 0.02 -0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 1j7y n ASP 74 Cb 0.35 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1j7y n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j7y n ASP 75 N -1.29 0.30 -0.18 -2.24 2.03 0.52 -4.98 116.55 110.71 1j7y n ASP 75 Ca 0.09 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.23 1j7y n ASP 75 Cb 0.32 -0.13 0.01 0.00 -0.72 0.00 0.00 41.12 40.59 1j7y n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1j7y h MET 76 N 2.97 1.01 -0.85 -0.67 2.86 -1.67 -2.49 114.93 116.08 1j7y h MET 76 Ca 0.03 -0.37 0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1j7y h MET 76 Cb 1.03 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.53 1j7y h MET 76 CO 0.42 1.05 0.46 -1.35 1.06 0.00 0.00 176.91 178.55 1j7y h PRO 77 N 0.88 0.67 -0.11 -0.22 0.11 -1.94 -0.77 132.00 130.62 1j7y h PRO 77 Ca 0.14 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 1j7y h PRO 77 Cb 0.65 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1j7y h PRO 77 CO 0.04 0.44 -0.11 -0.97 -0.21 0.00 0.00 178.00 177.20 1j7y h ASN 78 N 0.69 0.29 -0.63 -2.05 -1.24 -1.92 -2.45 115.58 108.27 1j7y h ASN 78 Ca 0.45 -0.48 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1j7y h ASN 78 Cb 0.58 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 1j7y h ASN 78 CO -0.33 0.71 0.38 0.00 -1.29 0.00 0.00 177.43 176.90 1j7y h ALA 79 N 0.59 1.46 -0.67 1.57 0.00 -1.03 -2.46 119.26 118.72 1j7y h ALA 79 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j7y h ALA 79 Cb 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j7y h ALA 79 CO 0.03 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1j7y n LEU 80 N -4.40 3.85 -0.11 0.00 4.77 -0.33 -4.67 117.00 116.11 1j7y n LEU 80 Ca 0.06 -1.93 -0.05 0.00 -0.03 0.00 0.00 56.01 54.06 1j7y n LEU 80 Cb 0.08 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1j7y n LEU 80 CO 0.37 0.88 0.84 -1.28 -1.33 0.00 0.00 177.39 176.87 1j7y h SER 81 N 3.98 -0.18 -0.63 -1.43 0.87 -0.93 0.20 113.55 115.41 1j7y h SER 81 Ca 0.00 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1j7y h SER 81 Cb 1.02 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1j7y h SER 81 CO 0.05 -0.05 0.31 0.00 -0.53 0.00 0.00 176.83 176.60 1j7y h ALA 82 N 1.33 1.31 0.00 6.23 0.00 -1.83 -0.82 119.26 125.48 1j7y h ALA 82 Ca 0.18 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1j7y h ALA 82 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1j7y h ALA 82 CO -0.32 0.53 -0.75 -0.07 0.00 0.00 0.00 179.25 178.65 1j7y h LEU 83 N 0.93 0.00 -0.56 0.00 3.38 -1.53 -0.96 115.31 116.57 1j7y h LEU 83 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1j7y h LEU 83 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1j7y h LEU 83 CO -0.03 0.75 -0.62 0.77 0.09 0.00 0.00 178.44 179.40 1j7y h SER 84 N 0.00 0.40 -0.24 -0.43 4.64 -0.36 -0.43 113.55 117.14 1j7y h SER 84 Ca -0.01 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1j7y h SER 84 Cb 1.41 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1j7y h SER 84 CO 0.10 0.93 0.07 0.44 -0.87 0.00 0.00 176.83 177.49 1j7y h ASP 85 N 0.26 0.35 -0.28 4.97 3.32 -0.97 -1.73 116.42 122.35 1j7y h ASP 85 Ca -0.01 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1j7y h ASP 85 Cb 1.15 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1j7y h ASP 85 CO 0.10 0.47 0.18 0.25 -1.72 0.00 0.00 179.24 178.52 1j7y h LEU 86 N 0.22 0.32 -0.44 1.55 5.85 -0.94 0.96 115.31 122.82 1j7y h LEU 86 Ca 0.08 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 1j7y h LEU 86 Cb 0.24 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1j7y h LEU 86 CO -0.00 0.25 -0.40 0.45 -0.34 0.00 0.00 178.44 178.40 1j7y h HIS 87 N 0.37 1.04 -0.41 1.25 3.86 -1.08 -1.05 115.15 119.12 1j7y h HIS 87 Ca 0.10 -0.31 -0.13 0.00 -1.16 0.00 0.00 60.37 58.87 1j7y h HIS 87 Cb -0.02 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1j7y h HIS 87 CO -0.05 1.12 -0.25 0.00 0.86 0.00 0.00 177.93 179.61 1j7y h ALA 88 N 0.84 0.58 0.00 2.45 0.00 -1.09 0.37 119.26 122.40 1j7y h ALA 88 Ca 0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1j7y h ALA 88 Cb 0.98 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1j7y h ALA 88 CO 0.09 0.59 -2.04 0.72 0.00 0.00 0.00 179.25 178.61 1j7y n HIS 89 N -4.17 0.14 0.04 0.00 8.25 0.31 -4.61 115.22 115.19 1j7y n HIS 89 Ca -0.01 0.05 -0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1j7y n HIS 89 Cb 0.47 -0.76 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 1j7y n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j7y n LYS 90 N -2.52 0.02 -0.08 -0.41 5.02 -0.67 -4.87 118.16 114.65 1j7y n LYS 90 Ca -0.15 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 1j7y n LYS 90 Cb 0.81 -0.44 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 1j7y n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1j7y h LEU 91 N -0.04 0.39 -1.78 -0.35 3.38 -1.34 -3.47 115.31 112.11 1j7y h LEU 91 Ca 0.00 -0.21 -0.43 0.00 0.09 0.00 0.00 57.88 57.33 1j7y h LEU 91 Cb 0.04 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 40.72 1j7y h LEU 91 CO 0.00 0.50 -0.84 0.54 0.09 0.00 0.00 178.44 178.73 1j7y n ARG 92 N -4.73 -4.67 -2.31 1.13 1.74 0.13 -4.93 116.66 103.03 1j7y n ARG 92 Ca -0.03 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.22 1j7y n ARG 92 Cb 0.16 -5.08 -0.03 0.00 -1.02 0.00 0.00 32.46 26.49 1j7y n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j7y s VAL 93 N -3.71 3.71 0.28 1.55 1.01 -1.26 -4.94 120.40 117.05 1j7y s VAL 93 Ca 0.02 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 1j7y s VAL 93 Cb -0.01 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 1j7y s VAL 93 CO 0.82 0.10 1.45 -0.67 0.00 0.00 0.00 175.10 176.80 1j7y n ASP 94 N 3.89 3.15 -0.21 3.32 2.03 -1.26 -4.80 116.55 122.66 1j7y n ASP 94 Ca 0.10 1.16 0.27 0.00 0.52 0.00 0.00 54.79 56.84 1j7y n ASP 94 Cb 0.45 -1.50 0.68 0.00 -0.72 0.00 0.00 41.12 40.03 1j7y n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1j7y h PRO 95 N 3.98 0.09 -0.28 -0.67 0.11 -1.99 -1.30 132.00 131.94 1j7y h PRO 95 Ca -0.46 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1j7y h PRO 95 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1j7y h PRO 95 CO 0.73 0.06 0.20 0.28 -0.21 0.00 0.00 178.00 179.06 1j7y h VAL 96 N 0.09 0.85 0.00 3.15 2.07 -2.03 -2.45 116.25 117.93 1j7y h VAL 96 Ca 0.46 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.95 1j7y h VAL 96 Cb 1.67 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1j7y h VAL 96 CO -0.05 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.20 1j7y h ASN 97 N 0.00 0.00 -0.41 0.57 4.21 -1.58 -2.75 115.58 115.62 1j7y h ASN 97 Ca 0.13 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.61 1j7y h ASN 97 Cb 0.53 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1j7y h ASN 97 CO -0.00 0.12 0.15 -0.26 -1.29 0.00 0.00 177.43 176.15 1j7y h PHE 98 N 0.00 0.70 -0.01 1.19 -1.00 -1.61 -0.95 116.94 115.25 1j7y h PHE 98 Ca -0.00 -0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.64 1j7y h PHE 98 Cb 0.72 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 1j7y h PHE 98 CO 0.00 0.57 -0.46 0.87 -1.61 0.00 0.00 178.31 177.69 1j7y h LYS 99 N 0.68 0.02 -0.11 1.51 1.57 -1.64 0.01 116.57 118.62 1j7y h LYS 99 Ca 0.16 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1j7y h LYS 99 Cb 0.20 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1j7y h LYS 99 CO -0.01 0.47 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.10 1j7y h LEU 100 N 0.02 0.34 -0.82 2.94 3.38 -1.34 -1.62 115.31 118.20 1j7y h LEU 100 Ca -0.00 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 1j7y h LEU 100 Cb 0.81 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1j7y h LEU 100 CO 0.06 0.81 0.05 0.25 0.09 0.00 0.00 178.44 179.70 1j7y h LEU 101 N -0.13 0.90 -0.53 1.67 5.85 -1.14 -1.94 115.31 120.00 1j7y h LEU 101 Ca 0.01 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1j7y h LEU 101 Cb 0.74 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1j7y h LEU 101 CO 0.04 0.93 0.34 0.28 -0.34 0.00 0.00 178.44 179.69 1j7y h SER 102 N 0.87 0.61 -0.56 1.25 0.02 -0.91 0.17 113.55 115.00 1j7y h SER 102 Ca 0.17 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1j7y h SER 102 Cb 0.45 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1j7y h SER 102 CO 0.02 0.45 0.34 -0.74 -1.14 0.00 0.00 176.83 175.76 1j7y h HIS 103 N 0.71 0.63 0.00 3.45 -0.00 -1.14 -0.43 115.15 118.37 1j7y h HIS 103 Ca 0.19 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1j7y h HIS 103 Cb -0.07 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1j7y h HIS 103 CO -0.04 0.36 -0.27 0.00 -0.00 0.00 0.00 177.93 177.99 1j7y h LEU 105 N 0.00 0.86 -0.47 0.00 3.38 -0.19 -0.44 115.31 118.44 1j7y h LEU 105 Ca -0.00 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1j7y h LEU 105 Cb 0.58 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1j7y h LEU 105 CO 0.03 1.25 0.14 -0.07 0.09 0.00 0.00 178.44 179.88 1j7y h LEU 106 N 0.58 0.69 -0.72 1.67 3.38 -0.53 0.88 115.31 121.26 1j7y h LEU 106 Ca 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1j7y h LEU 106 Cb 1.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1j7y h LEU 106 CO 0.12 0.72 0.29 0.58 0.09 0.00 0.00 178.44 180.24 1j7y h VAL 107 N 0.62 1.25 -0.47 1.22 2.07 -0.92 0.77 116.25 120.79 1j7y h VAL 107 Ca 0.15 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1j7y h VAL 107 Cb 0.28 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1j7y h VAL 107 CO -0.00 0.31 0.20 0.74 0.02 0.00 0.00 177.57 178.84 1j7y h THR 108 N 1.03 1.20 -0.69 2.57 2.02 -0.64 -1.31 112.91 117.08 1j7y h THR 108 Ca 0.24 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1j7y h THR 108 Cb 0.21 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1j7y h THR 108 CO -0.02 0.23 0.25 -0.07 0.37 0.00 0.00 175.52 176.28 1j7y h LEU 109 N 0.62 0.97 -0.68 2.58 3.38 -0.49 -2.32 115.31 119.37 1j7y h LEU 109 Ca 0.16 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1j7y h LEU 109 Cb 0.17 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1j7y h LEU 109 CO -0.02 0.90 0.40 0.00 0.09 0.00 0.00 178.44 179.82 1j7y h ALA 110 N 1.11 0.90 0.00 1.53 0.00 -0.51 0.75 119.26 123.04 1j7y h ALA 110 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1j7y h ALA 110 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j7y h ALA 110 CO -0.01 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1j7y h ALA 111 N 1.32 1.00 0.00 0.00 0.00 -0.89 -3.26 119.26 117.43 1j7y h ALA 111 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1j7y h ALA 111 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1j7y h ALA 111 CO -0.15 0.00 -0.62 0.72 0.00 0.00 0.00 179.25 179.20 1j7y n HIS 112 N -3.09 0.00 -3.39 0.00 -0.00 -0.84 -4.80 115.22 103.11 1j7y n HIS 112 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1j7y n HIS 112 Cb 0.29 -0.05 -0.08 0.00 -0.00 0.00 0.00 29.99 30.15 1j7y n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1j7y n LEU 113 N -1.33 2.77 -0.16 2.41 4.77 0.20 -4.94 117.00 120.71 1j7y n LEU 113 Ca 0.01 -5.23 -0.04 0.00 -0.03 0.00 0.00 56.01 50.72 1j7y n LEU 113 Cb 0.15 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1j7y n LEU 113 CO 0.17 2.04 1.01 1.55 -1.33 0.00 0.00 177.39 180.83 1j7y h PRO 114 N 4.22 0.46 -0.34 3.23 0.13 -1.83 -1.89 132.00 135.98 1j7y h PRO 114 Ca 0.17 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.12 1j7y h PRO 114 Cb 0.72 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1j7y h PRO 114 CO 0.73 0.31 -0.37 0.00 -0.23 0.00 0.00 178.00 178.44 1j7y h ALA 115 N 1.28 0.50 0.00 -0.56 0.00 -1.94 -3.34 119.26 115.20 1j7y h ALA 115 Ca 0.22 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j7y h ALA 115 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1j7y h ALA 115 CO -0.17 0.59 -0.40 0.93 0.00 0.00 0.00 179.25 180.20 1j7y h GLU 116 N 0.64 0.00 -3.30 0.00 3.07 -1.92 -3.41 114.58 109.65 1j7y h GLU 116 Ca 0.05 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.18 1j7y h GLU 116 Cb 0.96 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.76 1j7y h GLU 116 CO 0.09 0.00 2.56 0.34 -1.40 0.00 0.00 179.01 180.60 1j7y n PHE 117 N -2.93 2.89 -1.79 4.33 7.35 -0.73 -4.74 117.46 121.83 1j7y n PHE 117 Ca 0.02 -2.87 -0.29 0.00 -0.76 0.00 0.00 57.45 53.56 1j7y n PHE 117 Cb 0.54 -2.10 0.11 0.00 0.35 0.00 0.00 39.48 38.38 1j7y n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j7y s THR 118 N 0.72 1.99 0.20 -2.13 -4.23 -1.26 -4.76 115.64 106.18 1j7y s THR 118 Ca 0.48 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.89 1j7y s THR 118 Cb 0.14 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 71.19 1j7y s THR 118 CO -0.05 0.00 1.83 -0.65 -0.54 0.00 0.00 174.62 175.22 1j7y h PRO 119 N -1.25 0.76 -0.69 3.99 0.11 -1.99 0.46 132.00 133.39 1j7y h PRO 119 Ca -0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1j7y h PRO 119 Cb 1.32 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1j7y h PRO 119 CO 0.62 0.51 0.20 0.00 -0.21 0.00 0.00 178.00 179.12 1j7y h ALA 120 N 1.30 0.91 -0.25 -0.75 0.00 -1.96 -1.54 119.26 116.97 1j7y h ALA 120 Ca 0.28 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1j7y h ALA 120 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1j7y h ALA 120 CO -0.13 0.60 -0.45 0.28 0.00 0.00 0.00 179.25 179.56 1j7y h VAL 121 N 1.02 1.30 -0.07 0.00 2.07 -1.71 -1.34 116.25 117.52 1j7y h VAL 121 Ca 0.22 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1j7y h VAL 121 Cb 0.32 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1j7y h VAL 121 CO -0.00 0.52 0.02 -0.74 0.02 0.00 0.00 177.57 177.38 1j7y h HIS 122 N 0.50 0.03 -0.40 1.57 6.17 -0.80 0.17 115.15 122.39 1j7y h HIS 122 Ca 0.03 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.12 1j7y h HIS 122 Cb 0.97 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.88 1j7y h HIS 122 CO 0.04 0.01 0.24 0.00 0.71 0.00 0.00 177.93 178.93 1j7y h ALA 123 N 1.05 0.51 -0.67 5.26 0.00 -0.99 -0.55 119.26 123.86 1j7y h ALA 123 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j7y h ALA 123 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1j7y h ALA 123 CO -0.04 0.00 0.34 0.77 0.00 0.00 0.00 179.25 180.33 1j7y h SER 124 N 0.52 0.86 -0.75 0.00 0.02 -0.89 -0.98 113.55 112.34 1j7y h SER 124 Ca 0.14 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1j7y h SER 124 Cb 0.00 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 1j7y h SER 124 CO -0.03 0.74 0.26 -0.07 -1.14 0.00 0.00 176.83 176.59 1j7y h LEU 125 N 0.93 1.06 -0.50 5.07 3.38 -0.41 -0.22 115.31 124.62 1j7y h LEU 125 Ca 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1j7y h LEU 125 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1j7y h LEU 125 CO -0.03 0.97 0.26 -0.78 0.09 0.00 0.00 178.44 178.95 1j7y h ASP 126 N 1.10 0.64 -0.59 -0.43 3.58 -0.73 -0.29 116.42 119.69 1j7y h ASP 126 Ca 0.24 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1j7y h ASP 126 Cb 0.27 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1j7y h ASP 126 CO -0.01 0.57 0.15 0.11 -2.88 0.00 0.00 179.24 177.18 1j7y h LYS 127 N 0.66 0.94 -0.40 0.28 1.57 -0.98 -1.61 116.57 117.03 1j7y h LYS 127 Ca 0.17 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1j7y h LYS 127 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1j7y h LYS 127 CO -0.02 0.86 0.18 0.35 -0.57 0.00 0.00 179.45 180.24 1j7y h PHE 128 N 0.85 0.59 -0.04 -1.35 3.57 -0.60 -0.30 116.94 119.66 1j7y h PHE 128 Ca 0.19 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1j7y h PHE 128 Cb 0.33 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1j7y h PHE 128 CO 0.02 0.50 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.10 1j7y h LEU 129 N 0.51 0.09 -0.64 0.59 3.38 -0.96 0.22 115.31 118.50 1j7y h LEU 129 Ca 0.14 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1j7y h LEU 129 Cb 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1j7y h LEU 129 CO -0.02 0.51 -0.22 0.00 0.09 0.00 0.00 178.44 178.80 1j7y h ALA 130 N 1.49 0.83 -0.41 1.53 0.00 -0.96 -0.60 119.26 121.14 1j7y h ALA 130 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1j7y h ALA 130 Cb 0.80 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1j7y h ALA 130 CO 0.06 0.64 0.08 0.77 0.00 0.00 0.00 179.25 180.80 1j7y h SER 131 N 0.72 0.64 -0.55 0.00 0.02 -0.39 -0.29 113.55 113.70 1j7y h SER 131 Ca 0.10 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1j7y h SER 131 Cb 0.75 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1j7y h SER 131 CO 0.06 0.72 0.35 0.58 -1.14 0.00 0.00 176.83 177.40 1j7y h VAL 132 N 0.52 1.15 -0.80 2.27 2.07 -0.87 -0.91 116.25 119.69 1j7y h VAL 132 Ca 0.13 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1j7y h VAL 132 Cb 0.35 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1j7y h VAL 132 CO 0.01 0.15 0.33 0.28 0.02 0.00 0.00 177.57 178.36 1j7y h SER 133 N 0.74 1.09 -0.65 0.57 0.02 -0.83 -0.22 113.55 114.26 1j7y h SER 133 Ca 0.20 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1j7y h SER 133 Cb -0.05 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 1j7y h SER 133 CO -0.04 0.95 0.29 0.74 -1.14 0.00 0.00 176.83 177.63 1j7y h THR 134 N 1.15 1.23 -0.61 -2.27 2.02 -0.58 -1.71 112.91 112.14 1j7y h THR 134 Ca 0.27 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1j7y h THR 134 Cb 0.20 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1j7y h THR 134 CO -0.02 0.28 0.14 0.58 0.37 0.00 0.00 175.52 176.86 1j7y h VAL 135 N 0.91 1.25 0.00 3.16 2.07 -0.52 -1.86 116.25 121.26 1j7y h VAL 135 Ca 0.22 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1j7y h VAL 135 Cb 0.16 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1j7y h VAL 135 CO -0.02 0.35 -0.04 -0.07 0.02 0.00 0.00 177.57 177.81 1j7y h LEU 136 N 0.89 0.00 -2.34 2.57 3.38 -0.65 -2.71 115.31 116.45 1j7y h LEU 136 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1j7y h LEU 136 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1j7y h LEU 136 CO 0.00 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1j7y n THR 137 N -3.16 0.60 0.27 0.22 -2.24 -0.68 -4.48 114.28 104.81 1j7y n THR 137 Ca -0.00 -0.80 0.15 0.00 -2.27 0.00 0.00 64.05 61.13 1j7y n THR 137 Cb 0.29 0.83 0.78 0.00 -2.10 0.00 0.00 70.33 70.12 1j7y n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1j7y h SER 138 N 2.85 0.00 -0.49 3.42 4.64 -1.00 -2.78 113.55 120.19 1j7y h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j7y h SER 138 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1j7y h SER 138 CO 0.00 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 1j7y n LYS 139 N -3.45 2.86 0.24 4.77 5.02 -1.26 -4.68 118.16 121.66 1j7y n LYS 139 Ca -0.01 -2.32 0.06 0.00 -2.02 0.00 0.00 58.31 54.02 1j7y n LYS 139 Cb 0.24 -1.41 0.55 0.00 -0.02 0.00 0.00 35.03 34.39 1j7y n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1j7y h TYR 140 N 2.86 0.00 0.00 2.13 -1.99 -1.80 -3.46 116.97 114.71 1j7y h TYR 140 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1j7y h TYR 140 Cb 0.87 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.60 1j7y h TYR 140 CO 0.35 0.11 0.00 2.89 -0.00 0.00 0.00 178.16 181.51