#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 4.16 0.82 4.03 1.43 -1.26 -5.07 118.68 122.79 1j7y s LEU 2 Ca 0.00 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 1j7y s LEU 2 Cb 0.00 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.63 1j7y s LEU 2 CO 0.00 -0.14 1.19 -0.94 0.23 0.00 0.00 176.35 176.69 1j7y s SER 3 N 1.07 4.40 0.34 2.29 1.04 -1.26 -4.85 113.70 116.73 1j7y s SER 3 Ca 0.24 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.43 1j7y s SER 3 Cb -0.15 -1.20 0.59 0.00 0.10 0.00 0.00 66.02 65.36 1j7y s SER 3 CO 0.09 -1.97 1.99 -0.65 0.98 0.00 0.00 173.24 173.68 1j7y h PRO 4 N -1.10 0.90 -0.39 4.02 0.11 -1.99 -0.48 132.00 133.07 1j7y h PRO 4 Ca -0.46 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1j7y h PRO 4 Cb 1.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1j7y h PRO 4 CO 0.64 0.59 -0.27 0.00 -0.21 0.00 0.00 178.00 178.75 1j7y h ALA 5 N 1.57 0.79 -0.33 -0.75 0.00 -1.99 -1.12 119.26 117.43 1j7y h ALA 5 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1j7y h ALA 5 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1j7y h ALA 5 CO -0.07 0.65 0.18 -0.44 0.00 0.00 0.00 179.25 179.57 1j7y h ASP 6 N 0.70 0.42 -0.86 0.00 3.32 -1.61 -0.39 116.42 117.99 1j7y h ASP 6 Ca 0.09 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1j7y h ASP 6 Cb 0.81 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 1j7y h ASP 6 CO 0.07 0.39 0.48 0.11 -1.72 0.00 0.00 179.24 178.56 1j7y h LYS 7 N 0.41 1.20 -0.42 3.56 1.57 -0.90 -0.06 116.57 121.94 1j7y h LYS 7 Ca 0.12 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1j7y h LYS 7 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1j7y h LYS 7 CO -0.02 0.88 0.24 1.15 -0.57 0.00 0.00 179.45 181.13 1j7y h THR 8 N 1.20 1.14 -0.33 -0.16 2.02 -0.96 -0.57 112.91 115.25 1j7y h THR 8 Ca 0.30 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1j7y h THR 8 Cb 0.02 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1j7y h THR 8 CO -0.05 0.14 0.21 0.78 0.37 0.00 0.00 175.52 176.97 1j7y h ASN 9 N 0.55 0.38 -0.32 4.18 2.35 -0.74 -1.59 115.58 120.39 1j7y h ASN 9 Ca 0.15 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1j7y h ASN 9 Cb 0.02 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1j7y h ASN 9 CO -0.03 0.29 0.13 0.58 -1.65 0.00 0.00 177.43 176.75 1j7y h VAL 10 N 0.44 1.18 -0.79 2.81 2.07 -0.88 -0.80 116.25 120.28 1j7y h VAL 10 Ca 0.12 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1j7y h VAL 10 Cb -0.03 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1j7y h VAL 10 CO -0.02 0.19 0.41 0.11 0.02 0.00 0.00 177.57 178.27 1j7y h LYS 11 N 0.36 1.11 -0.23 1.57 1.57 -0.96 0.77 116.57 120.77 1j7y h LYS 11 Ca 0.11 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1j7y h LYS 11 Cb 0.18 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1j7y h LYS 11 CO -0.01 0.83 0.04 0.00 -0.57 0.00 0.00 179.45 179.74 1j7y h ALA 12 N 1.34 0.31 0.20 3.86 0.00 -1.18 0.83 119.26 124.62 1j7y h ALA 12 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1j7y h ALA 12 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1j7y h ALA 12 CO -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.10 1j7y h ALA 13 N 0.85 -0.27 -0.13 0.00 0.00 -0.83 -2.02 119.26 116.86 1j7y h ALA 13 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1j7y h ALA 13 Cb 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1j7y h ALA 13 CO 0.00 -0.51 -0.11 2.35 0.00 0.00 0.00 179.25 180.98 1j7y h TRP 14 N -0.55 0.20 -0.57 0.00 2.91 -0.89 -2.21 115.95 114.83 1j7y h TRP 14 Ca -0.03 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.92 1j7y h TRP 14 Cb 0.41 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.98 1j7y h TRP 14 CO 0.01 0.31 0.14 0.78 -1.03 0.00 0.00 178.44 178.65 1j7y h GLY 15 N 0.66 0.95 2.00 2.65 0.00 -0.71 -2.36 103.07 106.26 1j7y h GLY 15 Ca 0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 1j7y h GLY 15 CO 0.02 0.52 -0.51 1.70 0.00 0.00 0.00 176.54 178.27 1j7y h LYS 16 N 0.85 0.00 -0.38 4.80 3.11 -0.78 -2.60 116.57 121.57 1j7y h LYS 16 Ca 0.18 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.06 1j7y h LYS 16 Cb 0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 1j7y h LYS 16 CO -0.00 0.51 0.18 0.28 -2.81 0.00 0.00 179.45 177.61 1j7y h VAL 17 N 0.00 0.96 0.00 2.00 2.07 -0.94 -3.45 116.25 116.89 1j7y h VAL 17 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1j7y h VAL 17 Cb 0.92 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1j7y h VAL 17 CO 0.07 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1j7y n GLY 18 N -1.22 3.35 0.00 2.17 0.00 -0.95 -1.29 105.19 107.26 1j7y n GLY 18 Ca 0.01 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1j7y n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j7y n ALA 19 N 10.85 1.85 1.46 4.61 0.00 -1.26 -2.23 120.51 135.79 1j7y n ALA 19 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1j7y n ALA 19 Cb 0.00 -1.28 0.51 0.00 0.00 0.00 0.00 19.45 18.67 1j7y n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j7y n HIS 20 N -1.41 0.05 -0.17 0.00 -0.00 -0.41 -4.41 115.22 108.86 1j7y n HIS 20 Ca 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.72 57.73 1j7y n HIS 20 Cb 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.21 1j7y n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j7y h ALA 21 N 4.26 0.36 -0.83 -1.41 0.00 -1.55 -0.62 119.26 119.46 1j7y h ALA 21 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1j7y h ALA 21 Cb 0.47 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1j7y h ALA 21 CO 0.00 -0.43 0.53 0.78 0.00 0.00 0.00 179.25 180.12 1j7y h GLY 22 N 0.00 1.18 0.99 0.00 0.00 -1.82 0.97 103.07 104.39 1j7y h GLY 22 Ca 0.26 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1j7y h GLY 22 CO -0.55 0.45 0.31 -2.09 0.00 0.00 0.00 176.54 174.66 1j7y h GLU 23 N 1.13 0.76 -0.35 4.80 4.81 -1.63 -1.45 114.58 122.65 1j7y h GLU 23 Ca 0.30 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1j7y h GLU 23 Cb -0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1j7y h GLU 23 CO -0.06 0.58 -0.31 1.88 -0.73 0.00 0.00 179.01 180.37 1j7y h TYR 24 N 0.74 0.90 -0.61 0.92 0.05 -0.74 -0.83 116.97 117.39 1j7y h TYR 24 Ca 0.19 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1j7y h TYR 24 Cb 0.04 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 1j7y h TYR 24 CO -0.02 0.98 0.38 0.78 -1.05 0.00 0.00 178.16 179.24 1j7y h GLY 25 N 0.94 0.88 1.05 3.88 0.00 -0.57 -0.04 103.07 109.22 1j7y h GLY 25 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1j7y h GLY 25 CO 0.07 0.35 0.20 0.00 0.00 0.00 0.00 176.54 177.17 1j7y h ALA 26 N 1.20 0.94 -0.62 3.60 0.00 -0.90 -2.26 119.26 121.22 1j7y h ALA 26 Ca 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1j7y h ALA 26 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1j7y h ALA 26 CO -0.04 0.64 0.09 1.49 0.00 0.00 0.00 179.25 181.43 1j7y h GLU 27 N 1.07 1.01 -0.65 0.00 4.81 -0.90 -0.94 114.58 118.97 1j7y h GLU 27 Ca 0.23 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1j7y h GLU 27 Cb 0.33 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1j7y h GLU 27 CO -0.00 0.93 0.39 0.00 -0.73 0.00 0.00 179.01 179.60 1j7y h ALA 28 N 1.14 0.83 -0.48 2.92 0.00 -0.73 0.15 119.26 123.10 1j7y h ALA 28 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1j7y h ALA 28 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1j7y h ALA 28 CO 0.01 0.32 0.06 1.88 0.00 0.00 0.00 179.25 181.51 1j7y h TYR 29 N 0.89 0.86 -0.60 0.00 -1.99 -1.09 -0.75 116.97 114.29 1j7y h TYR 29 Ca 0.23 -0.13 0.05 0.00 2.00 0.00 0.00 58.73 60.88 1j7y h TYR 29 Cb -0.01 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.44 1j7y h TYR 29 CO -0.01 0.80 0.33 1.49 -0.00 0.00 0.00 178.16 180.77 1j7y h GLU 30 N 0.67 0.62 -0.68 4.88 4.81 -0.82 0.15 114.58 124.20 1j7y h GLU 30 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1j7y h GLU 30 Cb 0.42 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1j7y h GLU 30 CO 0.01 0.41 0.40 0.00 -0.73 0.00 0.00 179.01 179.10 1j7y h ARG 31 N 0.63 0.93 -0.48 1.92 3.08 -0.52 -2.42 114.38 117.53 1j7y h ARG 31 Ca 0.26 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1j7y h ARG 31 Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1j7y h ARG 31 CO -0.16 0.67 0.14 1.98 -1.07 0.00 0.00 179.97 181.53 1j7y h MET 32 N 0.93 0.75 -0.47 0.04 4.05 -0.21 -0.29 114.93 119.73 1j7y h MET 32 Ca 0.24 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1j7y h MET 32 Cb -0.02 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1j7y h MET 32 CO -0.04 0.71 0.13 0.74 0.23 0.00 0.00 176.91 178.68 1j7y h PHE 33 N 0.64 0.71 0.22 1.39 0.04 -0.55 0.82 116.94 120.22 1j7y h PHE 33 Ca 0.15 -0.05 -0.32 0.00 2.80 0.00 0.00 57.97 60.55 1j7y h PHE 33 Cb 0.28 -0.21 0.03 0.00 2.20 0.00 0.00 35.95 38.25 1j7y h PHE 33 CO 0.02 0.59 -1.42 -0.07 -0.60 0.00 0.00 178.31 176.83 1j7y h LEU 34 N 0.68 0.74 -0.12 1.54 3.38 -1.28 -3.29 115.31 116.96 1j7y h LEU 34 Ca 0.16 -0.79 -0.23 0.00 0.09 0.00 0.00 57.88 57.11 1j7y h LEU 34 Cb 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1j7y h LEU 34 CO -0.01 1.62 -1.01 0.28 0.09 0.00 0.00 178.44 179.41 1j7y h SER 35 N 0.13 0.43 -3.07 -0.43 0.02 -0.95 -3.39 113.55 106.29 1j7y h SER 35 Ca -0.22 -0.38 -0.61 0.00 -0.84 0.00 0.00 61.79 59.74 1j7y h SER 35 Cb 2.12 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 64.13 1j7y h SER 35 CO 0.26 1.21 -0.75 -0.36 -1.14 0.00 0.00 176.83 176.04 1j7y s PHE 36 N -3.08 2.20 0.58 3.45 0.08 0.27 -4.99 117.98 116.50 1j7y s PHE 36 Ca -0.05 -2.66 0.28 0.00 0.12 0.00 0.00 56.93 54.62 1j7y s PHE 36 Cb 0.09 -1.86 1.73 0.00 -0.57 0.00 0.00 43.02 42.41 1j7y s PHE 36 CO 0.86 -0.73 2.21 -1.35 -0.10 0.00 0.00 175.22 176.12 1j7y h PRO 37 N 6.04 0.00 0.00 0.24 0.11 -1.75 -0.84 132.00 135.81 1j7y h PRO 37 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1j7y h PRO 37 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1j7y h PRO 37 CO 0.52 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.09 1j7y h THR 38 N 0.00 0.07 0.00 -1.15 1.35 -1.91 -1.36 112.91 109.91 1j7y h THR 38 Ca 0.02 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1j7y h THR 38 Cb 0.12 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1j7y h THR 38 CO -0.00 0.01 0.00 0.35 -0.25 0.00 0.00 175.52 175.63 1j7y n THR 39 N -3.16 0.84 0.41 6.82 -2.24 -0.32 -2.32 114.28 114.30 1j7y n THR 39 Ca -0.02 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1j7y n THR 39 Cb 0.17 -1.09 0.50 0.00 -2.10 0.00 0.00 70.33 67.81 1j7y n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1j7y h LYS 40 N 0.00 0.00 -0.01 -0.78 1.57 -1.44 -3.04 116.57 112.87 1j7y h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j7y h LYS 40 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1j7y h LYS 40 CO 0.00 0.00 0.02 1.79 -0.57 0.00 0.00 179.45 180.69 1j7y h THR 41 N 0.00 0.18 -0.00 -0.16 1.35 -1.64 -1.35 112.91 111.29 1j7y h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1j7y h THR 41 Cb 0.49 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1j7y h THR 41 CO 0.00 0.00 -0.29 -1.22 -0.25 0.00 0.00 175.52 173.76 1j7y n TYR 42 N -3.34 0.00 -2.97 4.73 4.01 -1.15 -4.34 117.16 114.10 1j7y n TYR 42 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1j7y n TYR 42 Cb 0.10 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.18 1.91 0.39 -0.72 3.01 -0.51 -4.87 117.46 115.50 1j7y n PHE 43 Ca 0.09 -3.69 0.14 0.00 1.01 0.00 0.00 57.45 55.00 1j7y n PHE 43 Cb 0.33 -0.41 0.44 0.00 -0.01 0.00 0.00 39.48 39.83 1j7y n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1j7y h PRO 44 N 2.95 0.00 -0.18 -1.08 0.13 -1.76 -2.35 132.00 129.72 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1j7y h PRO 44 CO 0.64 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1j7y n HIS 45 N -2.64 0.22 -4.16 1.56 1.44 -1.26 -4.90 115.22 105.47 1j7y n HIS 45 Ca 0.03 -0.11 -0.27 0.00 -2.01 0.00 0.00 57.72 55.36 1j7y n HIS 45 Cb 0.37 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.41 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 -1.78 2.94 -0.31 -1.40 0.40 -0.88 -5.08 117.98 111.87 1j7y s PHE 46 Ca 0.34 -0.09 -0.26 0.00 -0.60 0.00 0.00 56.93 56.32 1j7y s PHE 46 Cb 0.19 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.28 1j7y s PHE 46 CO 0.28 0.51 0.90 0.34 0.70 0.00 0.00 175.22 177.95 1j7y s ASP 47 N -2.83 6.77 -0.13 1.36 -1.08 -1.26 -4.91 116.67 114.59 1j7y s ASP 47 Ca 0.28 0.81 0.16 0.00 -0.52 0.00 0.00 52.55 53.28 1j7y s ASP 47 Cb -0.10 -2.46 0.62 0.00 -1.46 0.00 0.00 42.92 39.52 1j7y s ASP 47 CO 0.19 -0.72 1.54 0.18 0.52 0.00 0.00 175.17 176.88 1j7y n LEU 48 N 6.47 4.40 -4.77 -1.34 4.77 -1.26 -4.53 117.00 120.73 1j7y n LEU 48 Ca 0.07 -2.57 -0.31 0.00 -0.03 0.00 0.00 56.01 53.16 1j7y n LEU 48 Cb 0.48 -0.53 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1j7y n LEU 48 CO 0.54 0.75 0.70 -0.94 -1.33 0.00 0.00 177.39 177.11 1j7y s SER 49 N -1.16 4.61 0.22 -1.43 1.04 -1.26 -4.91 113.70 110.81 1j7y s SER 49 Ca 0.45 1.83 -0.32 0.00 0.48 0.00 0.00 55.95 58.39 1j7y s SER 49 Cb 0.31 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.77 1j7y s SER 49 CO 0.18 -1.97 1.49 1.57 0.98 0.00 0.00 173.24 175.50 1j7y n HIS 50 N -3.40 2.28 -0.30 5.02 -0.00 -1.26 -1.64 115.22 115.91 1j7y n HIS 50 Ca 0.09 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1j7y n HIS 50 Cb 0.53 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.89 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 2.64 1.25 3.63 1.57 0.00 -1.26 -5.02 105.19 108.00 1j7y n GLY 51 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1j7y n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j7y n SER 52 N 0.00 2.14 0.20 1.61 2.88 -0.65 -4.87 113.62 114.93 1j7y n SER 52 Ca 0.00 1.15 0.05 0.00 -1.33 0.00 0.00 58.87 58.74 1j7y n SER 52 Cb 0.00 -1.35 0.43 0.00 -0.75 0.00 0.00 64.21 62.54 1j7y n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j7y h ALA 53 N 3.57 1.35 -0.53 -1.46 0.00 -1.91 -1.28 119.26 119.00 1j7y h ALA 53 Ca -0.44 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 1j7y h ALA 53 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1j7y h ALA 53 CO 0.71 0.39 -0.09 1.96 0.00 0.00 0.00 179.25 182.22 1j7y h GLN 54 N 0.00 1.00 -0.20 0.00 4.20 -1.89 0.58 115.11 118.80 1j7y h GLN 54 Ca -0.00 -0.37 -0.17 0.00 0.06 0.00 0.00 58.65 58.17 1j7y h GLN 54 Cb 0.61 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1j7y h GLN 54 CO 0.04 1.04 -0.57 0.28 -0.67 0.00 0.00 178.83 178.95 1j7y h VAL 55 N 0.87 1.31 -0.65 -0.54 2.07 -1.70 -1.23 116.25 116.37 1j7y h VAL 55 Ca 0.14 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 1j7y h VAL 55 Cb 0.66 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1j7y h VAL 55 CO 0.05 0.57 0.17 0.11 0.02 0.00 0.00 177.57 178.48 1j7y h LYS 56 N 0.48 1.02 -0.62 1.57 1.57 -1.08 0.56 116.57 120.07 1j7y h LYS 56 Ca 0.00 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1j7y h LYS 56 Cb 1.14 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1j7y h LYS 56 CO 0.11 0.90 0.15 0.78 -0.57 0.00 0.00 179.45 180.82 1j7y h GLY 57 N 1.05 1.07 1.09 3.86 0.00 -0.61 -1.00 103.07 108.54 1j7y h GLY 57 Ca 0.21 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1j7y h GLY 57 CO -0.00 0.63 -0.03 -1.61 0.00 0.00 0.00 176.54 175.53 1j7y h GLN 58 N 0.91 1.06 -0.73 4.80 5.75 -0.90 -1.70 115.11 124.30 1j7y h GLN 58 Ca 0.19 -0.35 0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1j7y h GLN 58 Cb 0.36 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 1j7y h GLN 58 CO 0.00 1.06 0.48 0.78 -2.65 0.00 0.00 178.83 178.50 1j7y h GLY 59 N 0.96 1.03 1.00 2.39 0.00 -0.59 -0.68 103.07 107.18 1j7y h GLY 59 Ca 0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1j7y h GLY 59 CO 0.04 0.37 0.06 1.70 0.00 0.00 0.00 176.54 178.71 1j7y h LYS 60 N 0.99 0.88 -0.42 4.80 1.63 -0.86 0.20 116.57 123.78 1j7y h LYS 60 Ca 0.27 -0.25 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 1j7y h LYS 60 Cb -0.11 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 1j7y h LYS 60 CO -0.06 0.88 0.08 0.87 -3.45 0.00 0.00 179.45 177.77 1j7y h LYS 61 N 0.76 0.68 -0.42 1.90 1.57 -0.89 -0.82 116.57 119.36 1j7y h LYS 61 Ca 0.16 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1j7y h LYS 61 Cb 0.44 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1j7y h LYS 61 CO 0.02 0.71 -0.03 0.28 -0.57 0.00 0.00 179.45 179.86 1j7y h VAL 62 N 0.54 1.27 -0.54 0.50 2.07 -1.04 -1.47 116.25 117.58 1j7y h VAL 62 Ca 0.13 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1j7y h VAL 62 Cb 0.35 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1j7y h VAL 62 CO 0.01 0.36 0.35 0.00 0.02 0.00 0.00 177.57 178.31 1j7y h ALA 63 N 0.88 0.68 -0.90 1.67 0.00 -0.82 -0.63 119.26 120.13 1j7y h ALA 63 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j7y h ALA 63 Cb 0.53 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1j7y h ALA 63 CO 0.03 0.13 0.58 -0.44 0.00 0.00 0.00 179.25 179.54 1j7y h ASP 64 N 0.73 1.05 -0.80 0.00 3.32 -0.97 0.18 116.42 119.93 1j7y h ASP 64 Ca 0.20 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1j7y h ASP 64 Cb -0.08 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.17 1j7y h ASP 64 CO -0.04 0.78 0.44 0.00 -1.72 0.00 0.00 179.24 178.70 1j7y h ALA 65 N 1.41 1.02 -0.29 3.45 0.00 -0.66 -1.46 119.26 122.73 1j7y h ALA 65 Ca 0.33 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1j7y h ALA 65 Cb -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1j7y h ALA 65 CO -0.07 0.52 -0.28 -0.07 0.00 0.00 0.00 179.25 179.36 1j7y h LEU 66 N 1.10 0.60 -0.76 0.00 3.38 -0.42 0.09 115.31 119.29 1j7y h LEU 66 Ca 0.28 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1j7y h LEU 66 Cb 0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1j7y h LEU 66 CO -0.05 0.85 0.31 0.74 0.09 0.00 0.00 178.44 180.38 1j7y h THR 67 N 0.51 1.25 -0.55 0.22 2.02 -0.55 0.95 112.91 116.76 1j7y h THR 67 Ca 0.07 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 1j7y h THR 67 Cb 0.74 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1j7y h THR 67 CO 0.06 0.32 0.23 -1.13 0.37 0.00 0.00 175.52 175.37 1j7y h ASN 68 N 1.09 0.75 -0.56 4.18 -1.24 -1.01 -0.49 115.58 118.30 1j7y h ASN 68 Ca 0.25 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1j7y h ASN 68 Cb 0.21 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1j7y h ASN 68 CO -0.02 0.71 0.19 0.00 -1.29 0.00 0.00 177.43 177.02 1j7y h ALA 69 N 1.07 0.73 -0.49 1.57 0.00 -0.20 -1.61 119.26 120.33 1j7y h ALA 69 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j7y h ALA 69 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1j7y h ALA 69 CO -0.02 0.38 0.32 0.28 0.00 0.00 0.00 179.25 180.21 1j7y h VAL 70 N 0.78 1.13 0.00 0.00 2.07 -0.58 -0.42 116.25 119.23 1j7y h VAL 70 Ca 0.18 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1j7y h VAL 70 Cb 0.26 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1j7y h VAL 70 CO -0.01 0.13 -0.04 0.00 0.02 0.00 0.00 177.57 177.67 1j7y h ALA 71 N 1.17 1.57 -0.59 1.67 0.00 -0.76 -2.78 119.26 119.55 1j7y h ALA 71 Ca 0.18 -0.04 -0.43 0.00 0.00 0.00 0.00 54.91 54.62 1j7y h ALA 71 Cb -0.06 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 17.37 1j7y h ALA 71 CO -0.04 0.06 -0.79 0.72 0.00 0.00 0.00 179.25 179.20 1j7y n HIS 72 N -3.97 2.14 0.22 0.00 8.25 -0.64 -4.90 115.22 116.32 1j7y n HIS 72 Ca -0.03 -2.07 0.17 0.00 -0.26 0.00 0.00 57.72 55.54 1j7y n HIS 72 Cb 0.13 -0.31 0.85 0.00 1.12 0.00 0.00 29.99 31.77 1j7y n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1j7y h VAL 73 N 2.30 0.44 -0.00 1.59 3.04 -0.80 0.21 116.25 123.02 1j7y h VAL 73 Ca 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 1j7y h VAL 73 Cb 1.44 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1j7y h VAL 73 CO 0.58 0.00 -0.24 0.47 -1.01 0.00 0.00 177.57 177.37 1j7y n ASP 74 N -3.74 0.53 -2.66 3.17 8.00 -1.26 -4.21 116.55 116.38 1j7y n ASP 74 Ca 0.01 -0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.02 1j7y n ASP 74 Cb 0.31 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1j7y n ASP 74 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1j7y n ASP 75 N -1.12 1.56 -0.14 -2.24 8.00 0.70 -4.97 116.55 118.34 1j7y n ASP 75 Ca 0.10 -2.76 -0.09 0.00 0.71 0.00 0.00 54.79 52.76 1j7y n ASP 75 Cb 0.32 -0.53 0.05 0.00 -0.02 0.00 0.00 41.12 40.94 1j7y n ASP 75 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1j7y h MET 76 N 2.98 0.92 -0.47 -1.24 2.86 -1.66 -2.66 114.93 115.67 1j7y h MET 76 Ca -0.08 -0.35 0.08 0.00 -2.06 0.00 0.00 59.70 57.29 1j7y h MET 76 Cb 1.17 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.71 1j7y h MET 76 CO 0.51 1.01 0.07 -1.35 1.06 0.00 0.00 176.91 178.21 1j7y h PRO 77 N 0.81 0.20 -0.23 -0.22 0.11 -1.93 -0.61 132.00 130.12 1j7y h PRO 77 Ca 0.12 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.10 1j7y h PRO 77 Cb 0.70 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1j7y h PRO 77 CO 0.05 0.13 -0.32 -0.97 -0.21 0.00 0.00 178.00 176.68 1j7y h ASN 78 N 0.20 0.68 -0.39 -2.05 -0.73 -1.95 -1.97 115.58 109.37 1j7y h ASN 78 Ca 0.23 -0.51 -0.00 0.00 1.87 0.00 0.00 56.30 57.89 1j7y h ASN 78 Cb 0.31 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 1j7y h ASN 78 CO -0.32 1.06 0.23 0.00 -0.37 0.00 0.00 177.43 178.03 1j7y h ALA 79 N 0.64 1.65 -0.70 1.57 0.00 -1.04 -2.29 119.26 119.08 1j7y h ALA 79 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j7y h ALA 79 Cb 0.90 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1j7y h ALA 79 CO 0.08 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.91 1j7y n LEU 80 N -4.44 3.81 -0.16 0.00 4.77 -0.29 -4.62 117.00 116.06 1j7y n LEU 80 Ca 0.03 -1.89 -0.04 0.00 -0.03 0.00 0.00 56.01 54.08 1j7y n LEU 80 Cb 0.09 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1j7y n LEU 80 CO 0.36 0.95 0.99 -1.28 -1.33 0.00 0.00 177.39 177.08 1j7y h SER 81 N 4.19 0.28 -0.25 -1.43 0.87 -0.74 0.18 113.55 116.64 1j7y h SER 81 Ca 0.00 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1j7y h SER 81 Cb 0.96 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1j7y h SER 81 CO 0.00 0.19 0.02 0.00 -0.53 0.00 0.00 176.83 176.52 1j7y h ALA 82 N 1.30 1.38 -0.00 6.23 0.00 -1.82 -0.66 119.26 125.69 1j7y h ALA 82 Ca 0.23 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1j7y h ALA 82 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1j7y h ALA 82 CO -0.19 0.43 -0.79 -0.07 0.00 0.00 0.00 179.25 178.63 1j7y h LEU 83 N 0.52 0.05 -0.62 0.00 3.38 -1.53 -0.66 115.31 116.46 1j7y h LEU 83 Ca 0.11 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1j7y h LEU 83 Cb 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1j7y h LEU 83 CO 0.01 0.81 -0.22 0.28 0.09 0.00 0.00 178.44 179.41 1j7y h SER 84 N 0.02 0.87 -0.26 -0.43 0.02 -0.24 -0.61 113.55 112.93 1j7y h SER 84 Ca -0.01 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1j7y h SER 84 Cb 1.38 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1j7y h SER 84 CO 0.11 1.06 0.05 0.44 -1.14 0.00 0.00 176.83 177.35 1j7y h ASP 85 N 0.74 0.41 -0.44 3.07 3.32 -0.95 -1.50 116.42 121.07 1j7y h ASP 85 Ca 0.10 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.92 1j7y h ASP 85 Cb 0.76 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1j7y h ASP 85 CO 0.06 0.55 0.26 0.25 -1.72 0.00 0.00 179.24 178.64 1j7y h LEU 86 N 0.25 0.42 -0.46 1.55 5.85 -0.87 -0.33 115.31 121.71 1j7y h LEU 86 Ca 0.08 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 1j7y h LEU 86 Cb 0.31 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1j7y h LEU 86 CO 0.00 0.30 -0.53 0.45 -0.34 0.00 0.00 178.44 178.33 1j7y h HIS 87 N 0.52 0.84 -0.29 1.25 3.86 -1.12 -0.85 115.15 119.36 1j7y h HIS 87 Ca 0.17 -0.29 -0.10 0.00 -1.16 0.00 0.00 60.37 59.00 1j7y h HIS 87 Cb 0.01 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1j7y h HIS 87 CO -0.07 1.05 -0.20 0.00 0.86 0.00 0.00 177.93 179.57 1j7y h ALA 88 N 0.89 0.41 0.00 2.45 0.00 -1.07 0.30 119.26 122.24 1j7y h ALA 88 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1j7y h ALA 88 Cb 1.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1j7y h ALA 88 CO 0.11 0.35 -1.35 0.72 0.00 0.00 0.00 179.25 179.08 1j7y n HIS 89 N -4.35 0.00 0.02 0.00 8.25 -0.15 -4.58 115.22 114.41 1j7y n HIS 89 Ca -0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1j7y n HIS 89 Cb 0.42 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 31.30 1j7y n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1j7y n LYS 90 N -1.79 0.01 -0.15 -0.41 3.00 -0.78 -4.87 118.16 113.17 1j7y n LYS 90 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1j7y n LYS 90 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 35.03 35.10 1j7y n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1j7y h LEU 91 N -0.02 0.77 -1.89 3.14 3.38 -1.30 -3.47 115.31 115.92 1j7y h LEU 91 Ca 0.00 -0.31 -0.45 0.00 0.09 0.00 0.00 57.88 57.21 1j7y h LEU 91 Cb 0.02 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.58 1j7y h LEU 91 CO 0.00 0.89 -0.86 0.54 0.09 0.00 0.00 178.44 179.11 1j7y n ARG 92 N -4.39 -4.11 -2.34 1.13 1.74 0.11 -4.93 116.66 103.87 1j7y n ARG 92 Ca -0.00 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1j7y n ARG 92 Cb 0.30 -4.89 -0.03 0.00 -1.02 0.00 0.00 32.46 26.83 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 -3.78 3.92 0.34 1.55 1.01 -1.25 -4.95 120.40 117.23 1j7y s VAL 93 Ca 0.02 1.32 -0.28 0.00 0.00 0.00 0.00 61.98 63.04 1j7y s VAL 93 Cb -0.01 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1j7y s VAL 93 CO 0.84 0.04 1.37 -0.67 0.00 0.00 0.00 175.10 176.68 1j7y n ASP 94 N 4.74 3.11 0.18 3.32 -0.08 -1.26 -4.82 116.55 121.73 1j7y n ASP 94 Ca 0.11 1.20 0.18 0.00 -1.51 0.00 0.00 54.79 54.77 1j7y n ASP 94 Cb 0.45 -1.52 0.80 0.00 2.34 0.00 0.00 41.12 43.19 1j7y n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j7y h PRO 95 N 2.92 0.00 0.00 -0.67 0.11 -2.00 -1.75 132.00 130.61 1j7y h PRO 95 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1j7y h PRO 95 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1j7y h PRO 95 CO 0.65 0.00 -0.06 -0.39 -0.21 0.00 0.00 178.00 177.99 1j7y h VAL 96 N 0.00 0.89 0.00 3.15 -1.51 -2.03 -2.54 116.25 114.22 1j7y h VAL 96 Ca 0.11 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 65.33 1j7y h VAL 96 Cb 0.59 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1j7y h VAL 96 CO -0.00 0.05 -0.24 0.78 -1.23 0.00 0.00 177.57 176.93 1j7y h ASN 97 N 0.00 0.00 -0.41 4.19 2.35 -1.66 -2.71 115.58 117.33 1j7y h ASN 97 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1j7y h ASN 97 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1j7y h ASN 97 CO 0.01 0.24 0.15 -0.26 -1.65 0.00 0.00 177.43 175.92 1j7y h PHE 98 N 0.00 0.70 -0.18 1.19 -1.00 -1.62 -0.80 116.94 115.23 1j7y h PHE 98 Ca -0.00 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 1j7y h PHE 98 Cb 0.65 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 1j7y h PHE 98 CO 0.00 0.57 -0.23 0.87 -1.61 0.00 0.00 178.31 177.91 1j7y h LYS 99 N 0.68 0.32 -0.28 1.51 1.57 -1.63 0.10 116.57 118.83 1j7y h LYS 99 Ca 0.16 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1j7y h LYS 99 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1j7y h LYS 99 CO -0.01 0.53 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.11 1j7y h LEU 100 N 0.29 0.68 -0.62 2.94 3.38 -1.37 -1.34 115.31 119.26 1j7y h LEU 100 Ca 0.05 -0.45 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 1j7y h LEU 100 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j7y h LEU 100 CO 0.04 0.98 -0.41 0.25 0.09 0.00 0.00 178.44 179.39 1j7y h LEU 101 N 0.38 0.65 -0.60 1.67 5.85 -1.08 -1.93 115.31 120.25 1j7y h LEU 101 Ca 0.05 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1j7y h LEU 101 Cb 0.77 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1j7y h LEU 101 CO 0.06 0.99 0.25 0.28 -0.34 0.00 0.00 178.44 179.67 1j7y h SER 102 N 0.50 0.82 -0.50 1.25 0.02 -0.86 0.17 113.55 114.95 1j7y h SER 102 Ca 0.04 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1j7y h SER 102 Cb 0.93 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1j7y h SER 102 CO 0.08 0.76 0.33 -0.74 -1.14 0.00 0.00 176.83 176.12 1j7y h HIS 103 N 0.83 0.63 0.00 3.45 -0.00 -1.08 -0.24 115.15 118.74 1j7y h HIS 103 Ca 0.20 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1j7y h HIS 103 Cb 0.19 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1j7y h HIS 103 CO 0.01 0.41 -0.30 0.00 -0.00 0.00 0.00 177.93 178.05 1j7y h LEU 105 N 0.00 0.68 -0.54 0.00 3.38 -0.21 -0.81 115.31 117.81 1j7y h LEU 105 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1j7y h LEU 105 Cb 0.54 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1j7y h LEU 105 CO 0.04 0.90 0.30 -0.07 0.09 0.00 0.00 178.44 179.70 1j7y h LEU 106 N 0.45 0.67 -0.94 1.67 3.38 -0.38 0.33 115.31 120.50 1j7y h LEU 106 Ca 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1j7y h LEU 106 Cb 0.62 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1j7y h LEU 106 CO 0.04 0.57 0.39 0.58 0.09 0.00 0.00 178.44 180.11 1j7y h VAL 107 N 0.72 1.25 -0.32 1.22 2.07 -1.04 0.13 116.25 120.27 1j7y h VAL 107 Ca 0.19 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1j7y h VAL 107 Cb 0.05 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1j7y h VAL 107 CO -0.03 0.30 0.14 0.74 0.02 0.00 0.00 177.57 178.74 1j7y h THR 108 N 1.14 1.17 -0.63 2.57 2.02 -0.75 -0.52 112.91 117.91 1j7y h THR 108 Ca 0.28 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1j7y h THR 108 Cb 0.11 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1j7y h THR 108 CO -0.04 0.18 0.29 -0.07 0.37 0.00 0.00 175.52 176.26 1j7y h LEU 109 N 0.38 0.83 -0.78 2.58 4.07 -0.53 -2.48 115.31 119.38 1j7y h LEU 109 Ca 0.11 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1j7y h LEU 109 Cb 0.15 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 1j7y h LEU 109 CO -0.01 0.74 0.50 0.00 -1.08 0.00 0.00 178.44 178.59 1j7y h ALA 110 N 1.13 1.02 0.00 1.53 0.00 -0.48 -0.14 119.26 122.32 1j7y h ALA 110 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1j7y h ALA 110 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j7y h ALA 110 CO -0.03 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1j7y h ALA 111 N 1.32 1.00 -0.00 0.00 0.00 -0.72 -3.21 119.26 117.65 1j7y h ALA 111 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1j7y h ALA 111 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1j7y h ALA 111 CO -0.10 0.00 -0.19 0.72 0.00 0.00 0.00 179.25 179.68 1j7y n HIS 112 N -2.43 0.00 -3.23 0.00 -0.00 -0.76 -4.83 115.22 103.97 1j7y n HIS 112 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.49 1j7y n HIS 112 Cb 0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.18 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 -0.74 2.40 -0.19 2.41 4.77 -0.14 -4.94 117.00 120.56 1j7y n LEU 113 Ca 0.02 -5.20 -0.00 0.00 -0.03 0.00 0.00 56.01 50.80 1j7y n LEU 113 Cb 0.10 -0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1j7y n LEU 113 CO 0.09 2.15 0.91 1.55 -1.33 0.00 0.00 177.39 180.76 1j7y h PRO 114 N 3.75 0.24 -0.03 3.23 0.13 -1.85 -2.09 132.00 135.38 1j7y h PRO 114 Ca 0.13 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.99 1j7y h PRO 114 Cb 0.74 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 31.84 1j7y h PRO 114 CO 0.67 0.16 -0.99 0.00 -0.23 0.00 0.00 178.00 177.62 1j7y h ALA 115 N 1.46 0.18 0.00 -0.56 0.00 -1.95 -3.36 119.26 115.03 1j7y h ALA 115 Ca 0.30 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1j7y h ALA 115 Cb 0.44 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1j7y h ALA 115 CO -0.39 0.69 -0.73 0.93 0.00 0.00 0.00 179.25 179.75 1j7y h GLU 116 N 0.42 0.00 -3.30 0.00 3.07 -1.94 -3.39 114.58 109.44 1j7y h GLU 116 Ca -0.11 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.07 1j7y h GLU 116 Cb 1.63 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.55 1j7y h GLU 116 CO 0.19 0.49 3.63 0.34 -1.40 0.00 0.00 179.01 182.27 1j7y n PHE 117 N -3.16 2.76 -1.63 4.33 7.35 -0.80 -4.72 117.46 121.59 1j7y n PHE 117 Ca -0.01 -3.06 -0.29 0.00 -0.76 0.00 0.00 57.45 53.33 1j7y n PHE 117 Cb 0.77 -2.51 0.16 0.00 0.35 0.00 0.00 39.48 38.25 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 2.45 1.94 0.21 -2.13 -4.23 -1.26 -4.76 115.64 107.86 1j7y s THR 118 Ca 0.63 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 1j7y s THR 118 Cb 0.17 -2.81 0.16 0.00 1.34 0.00 0.00 72.50 71.35 1j7y s THR 118 CO -0.07 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.18 1j7y h PRO 119 N -1.62 0.73 -0.41 3.99 0.11 -1.99 0.16 132.00 132.98 1j7y h PRO 119 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1j7y h PRO 119 Cb 1.30 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1j7y h PRO 119 CO 0.53 0.48 -0.08 0.00 -0.21 0.00 0.00 178.00 178.72 1j7y h ALA 120 N 1.35 1.10 -0.17 -0.75 0.00 -1.96 -1.24 119.26 117.59 1j7y h ALA 120 Ca 0.31 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1j7y h ALA 120 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j7y h ALA 120 CO -0.17 0.56 -0.66 0.28 0.00 0.00 0.00 179.25 179.26 1j7y h VAL 121 N 0.64 1.31 -0.39 0.00 2.07 -1.66 -1.30 116.25 116.92 1j7y h VAL 121 Ca 0.12 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1j7y h VAL 121 Cb 0.52 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1j7y h VAL 121 CO 0.03 0.60 0.26 -0.74 0.02 0.00 0.00 177.57 177.74 1j7y h HIS 122 N 0.47 0.49 -0.65 1.57 6.17 -0.88 0.14 115.15 122.47 1j7y h HIS 122 Ca -0.02 0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 1j7y h HIS 122 Cb 1.25 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 30.98 1j7y h HIS 122 CO 0.06 0.31 0.26 0.00 0.71 0.00 0.00 177.93 179.27 1j7y h ALA 123 N 1.14 0.85 -0.40 5.26 0.00 -0.94 -0.52 119.26 124.65 1j7y h ALA 123 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j7y h ALA 123 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1j7y h ALA 123 CO -0.03 0.47 0.15 0.77 0.00 0.00 0.00 179.25 180.61 1j7y h SER 124 N 0.92 0.56 -0.59 0.00 0.02 -0.79 -1.19 113.55 112.49 1j7y h SER 124 Ca 0.22 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1j7y h SER 124 Cb 0.21 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1j7y h SER 124 CO -0.02 0.59 0.14 -0.07 -1.14 0.00 0.00 176.83 176.33 1j7y h LEU 125 N 0.51 0.92 -0.50 5.07 3.38 -0.52 0.83 115.31 124.99 1j7y h LEU 125 Ca 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1j7y h LEU 125 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1j7y h LEU 125 CO -0.01 0.90 0.21 -0.78 0.09 0.00 0.00 178.44 178.84 1j7y h ASP 126 N 0.93 0.68 -0.46 -0.43 3.58 -0.77 0.45 116.42 120.42 1j7y h ASP 126 Ca 0.20 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1j7y h ASP 126 Cb 0.34 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1j7y h ASP 126 CO 0.00 0.66 0.29 0.11 -2.88 0.00 0.00 179.24 177.42 1j7y h LYS 127 N 0.67 0.61 -0.46 0.28 1.57 -0.94 -1.45 116.57 116.85 1j7y h LYS 127 Ca 0.17 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1j7y h LYS 127 Cb 0.18 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1j7y h LYS 127 CO -0.02 0.43 0.24 0.35 -0.57 0.00 0.00 179.45 179.89 1j7y h PHE 128 N 0.61 0.45 0.00 -1.35 3.57 -0.41 0.80 116.94 120.61 1j7y h PHE 128 Ca 0.17 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 1j7y h PHE 128 Cb -0.03 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1j7y h PHE 128 CO -0.04 0.23 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.65 1j7y h LEU 129 N 0.48 0.00 -0.59 0.59 3.38 -0.78 -0.43 115.31 117.96 1j7y h LEU 129 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1j7y h LEU 129 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1j7y h LEU 129 CO -0.13 0.56 -0.00 0.00 0.09 0.00 0.00 178.44 178.96 1j7y h ALA 130 N 1.44 0.80 -0.37 1.53 0.00 -0.94 -0.03 119.26 121.69 1j7y h ALA 130 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1j7y h ALA 130 Cb 1.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1j7y h ALA 130 CO 0.07 0.64 0.14 1.03 0.00 0.00 0.00 179.25 181.13 1j7y h SER 131 N 0.94 0.51 -0.58 0.00 0.87 -0.11 -0.40 113.55 114.78 1j7y h SER 131 Ca 0.17 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1j7y h SER 131 Cb 0.56 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1j7y h SER 131 CO 0.03 0.55 0.32 0.58 -0.53 0.00 0.00 176.83 177.78 1j7y h VAL 132 N 0.44 1.19 -0.82 2.23 2.07 -1.00 -1.14 116.25 119.22 1j7y h VAL 132 Ca 0.12 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1j7y h VAL 132 Cb 0.20 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1j7y h VAL 132 CO -0.01 0.20 0.53 0.28 0.02 0.00 0.00 177.57 178.60 1j7y h SER 133 N 0.79 0.95 -0.50 0.57 0.02 -0.70 -0.27 113.55 114.41 1j7y h SER 133 Ca 0.21 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1j7y h SER 133 Cb 0.04 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1j7y h SER 133 CO -0.03 0.70 0.21 0.74 -1.14 0.00 0.00 176.83 177.30 1j7y h THR 134 N 1.11 1.21 -0.71 -2.27 2.02 -0.66 -1.67 112.91 111.93 1j7y h THR 134 Ca 0.30 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1j7y h THR 134 Cb -0.11 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1j7y h THR 134 CO -0.06 0.24 0.29 0.58 0.37 0.00 0.00 175.52 176.94 1j7y h VAL 135 N 0.66 1.25 0.00 3.16 2.07 -0.71 -1.74 116.25 120.94 1j7y h VAL 135 Ca 0.17 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1j7y h VAL 135 Cb 0.17 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1j7y h VAL 135 CO -0.02 0.31 -0.10 -0.07 0.02 0.00 0.00 177.57 177.72 1j7y h LEU 136 N 1.01 0.00 -2.28 2.57 3.38 -0.63 -2.37 115.31 116.99 1j7y h LEU 136 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1j7y h LEU 136 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1j7y h LEU 136 CO -0.02 0.10 0.00 0.35 0.09 0.00 0.00 178.44 178.95 1j7y n THR 137 N -3.34 0.54 0.29 0.22 -2.24 -0.67 -4.54 114.28 104.55 1j7y n THR 137 Ca -0.01 -0.77 0.17 0.00 -2.27 0.00 0.00 64.05 61.18 1j7y n THR 137 Cb 0.29 0.89 0.87 0.00 -2.10 0.00 0.00 70.33 70.28 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 3.16 0.00 -0.43 3.42 4.64 -0.76 -2.63 113.55 120.96 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 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1j7y h SER 138 CO 0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 1j7y n LYS 139 N -3.30 3.14 0.23 4.77 5.02 -1.26 -4.65 118.16 122.10 1j7y n LYS 139 Ca -0.01 -2.53 0.06 0.00 -2.02 0.00 0.00 58.31 53.80 1j7y n LYS 139 Cb 0.20 -1.62 0.53 0.00 -0.02 0.00 0.00 35.03 34.13 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 2.66 0.00 0.00 2.13 -1.99 -1.78 -3.46 116.97 114.52 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 1.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.87 1j7y h TYR 140 CO 0.47 0.18 0.00 2.89 -0.00 0.00 0.00 178.16 181.70