#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7y s HIS 2 N 0.00 1.08 0.16 1.12 5.04 -1.26 -4.77 115.29 116.66 1j7y s HIS 2 Ca 0.00 -0.40 0.09 0.00 -1.54 0.00 0.00 55.06 53.22 1j7y s HIS 2 Cb 0.00 -0.91 -0.04 0.00 0.04 0.00 0.00 32.58 31.67 1j7y s HIS 2 CO 0.00 -0.29 -0.16 -0.51 -2.34 0.00 0.00 174.74 171.44 1j7y s LEU 3 N 1.12 2.76 0.86 8.88 1.43 -1.26 -5.12 118.68 127.35 1j7y s LEU 3 Ca -0.07 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 1j7y s LEU 3 Cb -0.14 -1.52 0.11 0.00 0.03 0.00 0.00 46.19 44.67 1j7y s LEU 3 CO -0.01 0.14 1.09 0.42 0.23 0.00 0.00 176.35 178.22 1j7y s THR 4 N -1.46 2.85 0.36 5.49 -4.23 -1.26 -4.77 115.64 112.62 1j7y s THR 4 Ca 0.21 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.05 1j7y s THR 4 Cb -0.09 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 71.14 1j7y s THR 4 CO 0.12 -0.36 1.91 -0.65 -0.54 0.00 0.00 174.62 175.10 1j7y h PRO 5 N -1.41 0.48 -0.48 3.99 0.11 -1.99 -0.15 132.00 132.53 1j7y h PRO 5 Ca -0.48 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.50 1j7y h PRO 5 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1j7y h PRO 5 CO 0.54 0.49 0.14 0.93 -0.21 0.00 0.00 178.00 179.90 1j7y h GLU 6 N 0.46 0.75 -0.30 1.05 3.07 -1.99 -1.53 114.58 116.10 1j7y h GLU 6 Ca 0.10 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 1j7y h GLU 6 Cb 0.28 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1j7y h GLU 6 CO 0.01 0.72 -0.01 0.93 -1.40 0.00 0.00 179.01 179.25 1j7y h GLU 7 N 0.65 0.55 -0.22 2.33 5.08 -1.64 0.18 114.58 121.51 1j7y h GLU 7 Ca 0.15 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1j7y h GLU 7 Cb 0.28 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1j7y h GLU 7 CO -0.00 0.70 0.07 0.87 -1.00 0.00 0.00 179.01 179.64 1j7y h LYS 8 N 0.34 0.16 -0.93 2.33 1.57 -0.96 -0.39 116.57 118.69 1j7y h LYS 8 Ca 0.08 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1j7y h LYS 8 Cb 0.46 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1j7y h LYS 8 CO 0.02 0.10 0.60 0.77 -0.57 0.00 0.00 179.45 180.37 1j7y h SER 9 N 0.16 0.97 -0.58 0.86 0.02 -1.09 -0.56 113.55 113.34 1j7y h SER 9 Ca 0.10 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1j7y h SER 9 Cb 0.07 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1j7y h SER 9 CO -0.11 0.63 0.13 0.00 -1.14 0.00 0.00 176.83 176.34 1j7y h ALA 10 N 1.41 0.76 -0.01 3.77 0.00 0.13 -0.94 119.26 124.38 1j7y h ALA 10 Ca 0.39 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j7y h ALA 10 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1j7y h ALA 10 CO -0.15 0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.86 1j7y h VAL 11 N 0.83 1.17 -0.81 0.00 2.07 -0.72 -2.53 116.25 116.26 1j7y h VAL 11 Ca 0.18 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1j7y h VAL 11 Cb 0.37 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1j7y h VAL 11 CO 0.00 0.13 0.34 0.74 0.02 0.00 0.00 177.57 178.80 1j7y h THR 12 N -0.18 1.26 -0.33 2.57 2.02 -1.03 -1.83 112.91 115.38 1j7y h THR 12 Ca 0.00 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1j7y h THR 12 Cb 0.21 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1j7y h THR 12 CO -0.00 0.33 0.08 0.00 0.37 0.00 0.00 175.52 176.30 1j7y h ALA 13 N 1.20 0.44 -0.55 6.16 0.00 -1.12 -2.23 119.26 123.16 1j7y h ALA 13 Ca 0.27 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1j7y h ALA 13 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1j7y h ALA 13 CO -0.03 0.11 -0.06 1.25 0.00 0.00 0.00 179.25 180.52 1j7y h LEU 14 N 0.38 0.98 -1.59 0.00 5.85 -1.37 -3.06 115.31 116.50 1j7y h LEU 14 Ca 0.10 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1j7y h LEU 14 Cb 0.30 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1j7y h LEU 14 CO 0.00 1.06 -0.21 -0.25 -0.34 0.00 0.00 178.44 178.70 1j7y h TRP 15 N 0.89 0.00 -0.00 1.25 2.91 -1.20 -1.13 115.95 118.66 1j7y h TRP 15 Ca 0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1j7y h TRP 15 Cb 0.61 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1j7y h TRP 15 CO 0.04 0.21 0.02 0.78 -1.03 0.00 0.00 178.44 178.47 1j7y h GLY 16 N 0.67 0.00 -2.33 2.65 0.00 -1.29 -1.41 103.07 101.37 1j7y h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j7y h GLY 16 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 1j7y n LYS 17 N -3.10 2.52 -3.32 4.80 5.02 -0.43 -4.97 118.16 118.68 1j7y n LYS 17 Ca -0.03 -2.30 -0.38 0.00 -2.02 0.00 0.00 58.31 53.58 1j7y n LYS 17 Cb 0.09 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 1j7y n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j7y s VAL 18 N -1.51 5.10 -0.71 -0.18 1.01 -0.53 -5.01 120.40 118.56 1j7y s VAL 18 Ca 0.39 1.01 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 1j7y s VAL 18 Cb 0.23 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.85 1j7y s VAL 18 CO 0.32 0.39 1.03 0.21 0.00 0.00 0.00 175.10 177.05 1j7y s ASN 19 N 0.17 6.24 0.19 3.32 3.84 -1.26 -4.93 114.94 122.51 1j7y s ASN 19 Ca 0.27 -1.08 -0.12 0.00 0.21 0.00 0.00 52.86 52.14 1j7y s ASN 19 Cb -0.16 -2.44 0.19 0.00 -0.55 0.00 0.00 41.25 38.29 1j7y s ASN 19 CO 0.12 -1.44 1.76 0.58 -2.79 0.00 0.00 177.10 175.33 1j7y h VAL 20 N 6.00 0.86 -0.52 -5.21 2.07 -1.95 -0.49 116.25 117.01 1j7y h VAL 20 Ca -0.22 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1j7y h VAL 20 Cb 1.06 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1j7y h VAL 20 CO 1.19 0.08 0.32 0.44 0.02 0.00 0.00 177.57 179.62 1j7y h ASP 21 N 0.42 0.52 -0.29 0.57 3.32 -1.91 0.43 116.42 119.47 1j7y h ASP 21 Ca 0.25 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1j7y h ASP 21 Cb 0.25 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1j7y h ASP 21 CO -0.23 0.37 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.52 1j7y h GLU 22 N 0.63 0.54 -0.23 3.56 4.81 -1.85 -1.13 114.58 120.91 1j7y h GLU 22 Ca 0.20 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1j7y h GLU 22 Cb -0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1j7y h GLU 22 CO -0.08 0.73 -0.41 0.28 -0.73 0.00 0.00 179.01 178.80 1j7y h VAL 23 N 0.31 1.30 -0.29 0.32 2.07 -1.02 -1.56 116.25 117.37 1j7y h VAL 23 Ca 0.07 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 1j7y h VAL 23 Cb 0.52 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1j7y h VAL 23 CO 0.03 0.49 0.05 1.23 0.02 0.00 0.00 177.57 179.39 1j7y h GLY 24 N 1.06 0.52 1.00 2.17 0.00 -0.81 0.16 103.07 107.17 1j7y h GLY 24 Ca 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1j7y h GLY 24 CO 0.08 0.32 0.23 -1.33 0.00 0.00 0.00 176.54 175.83 1j7y h GLY 25 N 0.31 0.99 0.86 4.60 0.00 -0.99 -0.19 103.07 108.65 1j7y h GLY 25 Ca 0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1j7y h GLY 25 CO 0.00 0.52 0.05 -2.09 0.00 0.00 0.00 176.54 175.02 1j7y h GLU 26 N 0.85 0.38 -0.32 4.80 4.57 -1.08 -0.83 114.58 122.95 1j7y h GLU 26 Ca 0.20 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.19 1j7y h GLU 26 Cb 0.23 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1j7y h GLU 26 CO -0.01 0.50 -0.17 0.00 -1.18 0.00 0.00 179.01 178.15 1j7y h ALA 27 N 0.86 0.46 -0.36 2.92 0.00 -0.58 -0.61 119.26 121.95 1j7y h ALA 27 Ca 0.07 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1j7y h ALA 27 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1j7y h ALA 27 CO 0.00 0.37 -0.18 -0.92 0.00 0.00 0.00 179.25 178.53 1j7y h TYR 28 N 0.45 0.75 -0.27 0.00 3.20 -1.05 -0.22 116.97 119.82 1j7y h TYR 28 Ca 0.07 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 1j7y h TYR 28 Cb 0.70 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1j7y h TYR 28 CO 0.06 0.81 0.10 0.78 -1.64 0.00 0.00 178.16 178.26 1j7y h GLY 29 N 0.98 0.45 2.00 1.82 0.00 -1.04 -2.49 103.07 104.79 1j7y h GLY 29 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1j7y h GLY 29 CO 0.05 0.24 -0.25 3.21 0.00 0.00 0.00 176.54 179.79 1j7y h ARG 30 N 0.28 0.00 -0.17 4.80 3.08 -0.86 -1.38 114.38 120.13 1j7y h ARG 30 Ca 0.09 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1j7y h ARG 30 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1j7y h ARG 30 CO -0.00 0.25 0.04 1.25 -1.07 0.00 0.00 179.97 180.43 1j7y h LEU 31 N 0.00 0.03 -1.11 3.04 5.85 -0.62 0.24 115.31 122.75 1j7y h LEU 31 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1j7y h LEU 31 Cb 0.44 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1j7y h LEU 31 CO 0.03 0.04 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.83 1j7y h LEU 32 N 0.12 0.00 0.03 2.25 4.07 -1.00 -0.87 115.31 119.91 1j7y h LEU 32 Ca 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1j7y h LEU 32 Cb 0.06 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 1j7y h LEU 32 CO -0.09 0.27 -0.35 0.58 -1.08 0.00 0.00 178.44 177.77 1j7y h VAL 33 N 0.00 1.61 -0.00 1.22 2.07 -0.70 -3.24 116.25 117.20 1j7y h VAL 33 Ca -0.00 -2.36 -0.22 0.00 0.82 0.00 0.00 66.70 64.94 1j7y h VAL 33 Cb 0.77 3.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1j7y h VAL 33 CO 0.04 0.60 -0.92 0.58 0.02 0.00 0.00 177.57 177.88 1j7y h VAL 34 N -0.87 1.42 -2.71 2.57 2.07 -0.57 -3.37 116.25 114.80 1j7y h VAL 34 Ca -0.08 -2.48 -0.61 0.00 0.82 0.00 0.00 66.70 64.36 1j7y h VAL 34 Cb 1.18 2.42 -0.41 0.00 -1.52 0.00 0.00 31.29 32.96 1j7y h VAL 34 CO 0.00 0.74 -0.72 -1.22 0.02 0.00 0.00 177.57 176.39 1j7y n TYR 35 N -3.73 1.91 0.29 1.57 4.01 -0.33 -4.97 117.16 115.91 1j7y n TYR 35 Ca -0.06 -3.97 0.16 0.00 -0.16 0.00 0.00 57.90 53.87 1j7y n TYR 35 Cb 0.82 -0.35 0.77 0.00 -0.31 0.00 0.00 39.34 40.27 1j7y n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j7y h PRO 36 N 5.23 0.00 0.00 -0.72 0.14 -1.73 -1.30 132.00 133.62 1j7y h PRO 36 Ca 0.18 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.32 1j7y h PRO 36 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.93 1j7y h PRO 36 CO 0.62 0.00 0.00 0.11 0.14 0.00 0.00 178.00 178.87 1j7y h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.58 115.95 115.12 1j7y h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j7y h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1j7y h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1j7y n THR 38 N -2.71 0.85 0.82 0.12 -2.24 -0.49 -2.51 114.28 108.13 1j7y n THR 38 Ca -0.01 0.20 0.09 0.00 -2.27 0.00 0.00 64.05 62.07 1j7y n THR 38 Cb 0.14 -1.01 0.46 0.00 -2.10 0.00 0.00 70.33 67.81 1j7y n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j7y n GLN 39 N -1.82 0.18 -0.01 -0.78 6.02 -0.22 -3.79 117.38 116.96 1j7y n GLN 39 Ca 0.03 0.13 0.21 0.00 -0.01 0.00 0.00 57.00 57.36 1j7y n GLN 39 Cb 0.22 -1.50 0.70 0.00 1.02 0.00 0.00 30.24 30.68 1j7y n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1j7y h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.70 0.25 114.38 111.96 1j7y h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j7y h ARG 40 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1j7y h ARG 40 CO 0.00 0.00 -0.35 1.19 0.10 0.00 0.00 179.97 180.91 1j7y n PHE 41 N -4.29 0.02 -1.83 4.08 3.72 -1.25 -4.28 117.46 113.64 1j7y n PHE 41 Ca 0.10 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.33 1j7y n PHE 41 Cb 0.65 -0.34 0.07 0.00 -0.94 0.00 0.00 39.48 38.93 1j7y n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j7y n PHE 42 N -1.52 2.20 0.24 1.38 3.72 0.08 -4.74 117.46 118.81 1j7y n PHE 42 Ca 0.06 -2.13 0.07 0.00 -0.05 0.00 0.00 57.45 55.39 1j7y n PHE 42 Cb 0.34 -0.46 0.56 0.00 -0.94 0.00 0.00 39.48 38.98 1j7y n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j7y h GLU 43 N 1.86 0.00 -0.03 -1.08 5.08 -1.74 -1.87 114.58 116.79 1j7y h GLU 43 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1j7y h GLU 43 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1j7y h GLU 43 CO 0.69 0.14 0.00 -1.13 -1.00 0.00 0.00 179.01 177.71 1j7y n SER 44 N -4.30 0.53 -0.10 1.42 3.41 -1.26 -4.30 113.62 109.03 1j7y n SER 44 Ca -0.03 -1.32 0.15 0.00 -0.26 0.00 0.00 58.87 57.41 1j7y n SER 44 Cb 0.21 -0.02 0.82 0.00 -0.26 0.00 0.00 64.21 64.96 1j7y n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j7y n PHE 45 N -0.52 0.00 -1.18 7.33 0.99 -0.70 -5.03 117.46 118.34 1j7y n PHE 45 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 1j7y n PHE 45 Cb 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 38.61 1j7y n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j7y n GLY 46 N 1.09 0.22 3.63 1.37 0.00 -1.26 -4.70 105.19 105.53 1j7y n GLY 46 Ca 0.21 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1j7y n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j7y s ASP 47 N -4.00 6.46 -0.11 1.61 2.15 -1.26 -4.84 116.67 116.68 1j7y s ASP 47 Ca 0.00 1.44 0.15 0.00 0.43 0.00 0.00 52.55 54.57 1j7y s ASP 47 Cb 0.00 -2.53 0.33 0.00 -0.30 0.00 0.00 42.92 40.42 1j7y s ASP 47 CO 0.00 -1.22 1.16 0.18 -0.17 0.00 0.00 175.17 175.12 1j7y n LEU 48 N 8.25 1.84 0.14 -1.34 4.77 -1.26 -4.20 117.00 125.20 1j7y n LEU 48 Ca 0.17 -2.86 0.01 0.00 -0.03 0.00 0.00 56.01 53.30 1j7y n LEU 48 Cb 0.46 -0.31 0.32 0.00 -2.33 0.00 0.00 43.42 41.56 1j7y n LEU 48 CO 0.64 0.87 0.73 0.77 -1.33 0.00 0.00 177.39 179.07 1j7y h SER 49 N 0.62 0.14 -5.31 -1.43 4.64 -1.91 -3.44 113.55 106.86 1j7y h SER 49 Ca -0.05 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.00 1j7y h SER 49 Cb 1.26 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 1j7y h SER 49 CO 0.02 0.47 -0.64 0.42 -0.87 0.00 0.00 176.83 176.23 1j7y s THR 50 N -4.29 0.17 0.13 2.95 -4.23 -1.26 -5.02 115.64 104.09 1j7y s THR 50 Ca -0.04 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.33 1j7y s THR 50 Cb 0.14 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1j7y s THR 50 CO 0.74 -0.31 1.75 -0.65 -0.54 0.00 0.00 174.62 175.61 1j7y h PRO 51 N 2.75 0.16 -0.87 3.99 0.11 -1.98 0.57 132.00 136.73 1j7y h PRO 51 Ca -0.36 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1j7y h PRO 51 Cb 1.22 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1j7y h PRO 51 CO 0.58 0.11 0.54 -0.44 -0.21 0.00 0.00 178.00 178.58 1j7y h ASP 52 N 0.17 1.03 -0.37 -2.05 3.32 -1.98 -1.19 116.42 115.34 1j7y h ASP 52 Ca 0.10 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1j7y h ASP 52 Cb 0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1j7y h ASP 52 CO -0.11 0.77 0.22 0.00 -1.72 0.00 0.00 179.24 178.41 1j7y h ALA 53 N 1.40 0.48 -0.03 3.45 0.00 -1.61 -1.27 119.26 121.69 1j7y h ALA 53 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1j7y h ALA 53 Cb -0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1j7y h ALA 53 CO -0.06 -0.02 0.02 0.28 0.00 0.00 0.00 179.25 179.46 1j7y h VAL 54 N 0.49 1.03 -0.21 0.00 2.07 -0.55 -1.27 116.25 117.80 1j7y h VAL 54 Ca 0.13 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1j7y h VAL 54 Cb 0.02 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1j7y h VAL 54 CO -0.02 0.02 -0.17 0.24 0.02 0.00 0.00 177.57 177.66 1j7y h MET 55 N 0.01 0.35 -0.00 1.57 2.07 -1.18 -2.63 114.93 115.12 1j7y h MET 55 Ca 0.01 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1j7y h MET 55 Cb 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1j7y h MET 55 CO -0.00 0.52 -0.35 0.41 1.07 0.00 0.00 176.91 178.56 1j7y n GLY 56 N -0.67 -1.01 3.66 8.32 0.00 -0.49 -4.81 105.19 110.20 1j7y n GLY 56 Ca -0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1j7y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j7y s ASN 57 N -2.77 6.60 0.32 1.61 3.84 -0.49 -4.89 114.94 119.17 1j7y s ASN 57 Ca 0.18 2.34 0.05 0.00 0.21 0.00 0.00 52.86 55.64 1j7y s ASN 57 Cb 0.18 -2.53 0.67 0.00 -0.55 0.00 0.00 41.25 39.03 1j7y s ASN 57 CO 0.60 -0.97 1.87 -0.65 -2.79 0.00 0.00 177.10 175.17 1j7y h PRO 58 N 9.85 0.83 -0.29 0.43 0.11 -1.90 -1.14 132.00 139.89 1j7y h PRO 58 Ca -0.42 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1j7y h PRO 58 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1j7y h PRO 58 CO 0.95 0.55 -0.36 0.87 -0.21 0.00 0.00 178.00 179.80 1j7y h LYS 59 N 0.86 0.66 -0.38 1.05 1.57 -1.90 -0.38 116.57 118.04 1j7y h LYS 59 Ca 0.44 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1j7y h LYS 59 Cb 0.51 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1j7y h LYS 59 CO -0.20 0.92 -0.21 0.28 -0.57 0.00 0.00 179.45 179.67 1j7y h VAL 60 N 0.55 1.28 -0.52 0.50 2.07 -1.68 -0.98 116.25 117.47 1j7y h VAL 60 Ca 0.05 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1j7y h VAL 60 Cb 0.88 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1j7y h VAL 60 CO 0.08 0.45 0.19 0.11 0.02 0.00 0.00 177.57 178.41 1j7y h LYS 61 N 0.62 0.79 -0.71 1.57 1.57 -1.13 -0.85 116.57 118.43 1j7y h LYS 61 Ca 0.08 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1j7y h LYS 61 Cb 0.77 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1j7y h LYS 61 CO 0.06 0.71 0.46 0.00 -0.57 0.00 0.00 179.45 180.11 1j7y h ALA 62 N 1.04 0.91 -0.79 3.86 0.00 -0.95 0.04 119.26 123.37 1j7y h ALA 62 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1j7y h ALA 62 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1j7y h ALA 62 CO -0.01 0.28 0.30 0.37 0.00 0.00 0.00 179.25 180.19 1j7y h GLN 63 N 0.93 1.19 -0.76 0.00 5.75 -0.94 -2.06 115.11 119.22 1j7y h GLN 63 Ca 0.27 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1j7y h GLN 63 Cb -0.06 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.27 1j7y h GLN 63 CO -0.08 0.98 0.40 0.78 -2.65 0.00 0.00 178.83 178.26 1j7y h GLY 64 N 1.16 1.16 1.14 2.39 0.00 -0.41 -1.04 103.07 107.47 1j7y h GLY 64 Ca 0.26 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1j7y h GLY 64 CO -0.02 0.52 0.24 0.50 0.00 0.00 0.00 176.54 177.78 1j7y h LYS 65 N 1.07 1.08 -0.19 4.80 1.57 -0.75 -0.45 116.57 123.69 1j7y h LYS 65 Ca 0.27 -0.21 -0.21 0.00 -1.87 0.00 0.00 60.65 58.62 1j7y h LYS 65 Cb 0.07 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.22 1j7y h LYS 65 CO -0.04 0.91 -0.71 -0.22 -0.57 0.00 0.00 179.45 178.82 1j7y h LYS 66 N 1.05 0.82 0.14 3.15 3.64 -1.00 -0.93 116.57 123.43 1j7y h LYS 66 Ca 0.23 -0.62 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1j7y h LYS 66 Cb 0.26 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1j7y h LYS 66 CO -0.01 1.24 -0.07 0.28 -2.27 0.00 0.00 179.45 178.62 1j7y h VAL 67 N 0.58 0.97 0.00 2.00 2.07 -1.08 -2.48 116.25 118.31 1j7y h VAL 67 Ca -0.03 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1j7y h VAL 67 Cb 1.34 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1j7y h VAL 67 CO 0.15 0.11 -0.52 -0.07 0.02 0.00 0.00 177.57 177.27 1j7y h LEU 68 N -0.41 0.00 -0.69 2.57 3.38 -1.12 -1.12 115.31 117.91 1j7y h LEU 68 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1j7y h LEU 68 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1j7y h LEU 68 CO 0.03 0.52 0.26 1.23 0.09 0.00 0.00 178.44 180.56 1j7y h GLY 69 N 2.14 1.12 1.22 0.83 0.00 -1.10 0.27 103.07 107.56 1j7y h GLY 69 Ca -0.01 -0.63 -0.16 0.00 0.00 0.00 0.00 47.33 46.53 1j7y h GLY 69 CO 0.07 0.59 -0.42 0.00 0.00 0.00 0.00 176.54 176.78 1j7y h ALA 70 N 1.12 0.61 -0.08 3.60 0.00 -1.16 -1.67 119.26 121.69 1j7y h ALA 70 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j7y h ALA 70 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j7y h ALA 70 CO -0.01 0.67 0.04 0.35 0.00 0.00 0.00 179.25 180.30 1j7y h PHE 71 N 0.68 0.08 -0.36 0.00 3.57 -1.04 -1.39 116.94 118.49 1j7y h PHE 71 Ca 0.05 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1j7y h PHE 71 Cb 1.00 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 1j7y h PHE 71 CO 0.06 0.05 0.04 1.03 -2.23 0.00 0.00 178.31 177.25 1j7y h SER 72 N 0.09 -0.06 0.11 0.41 0.87 -0.28 -1.53 113.55 113.14 1j7y h SER 72 Ca 0.03 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1j7y h SER 72 Cb 0.00 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1j7y h SER 72 CO -0.02 0.00 -0.12 0.44 -0.53 0.00 0.00 176.83 176.60 1j7y h ASP 73 N 0.15 0.04 0.34 6.23 3.32 -1.07 -1.84 116.42 123.59 1j7y h ASP 73 Ca 0.17 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1j7y h ASP 73 Cb 0.22 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1j7y h ASP 73 CO -0.25 0.17 -0.10 1.23 -1.72 0.00 0.00 179.24 178.56 1j7y h GLY 74 N 0.44 0.00 2.00 2.75 0.00 -0.24 -2.48 103.07 105.54 1j7y h GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1j7y h GLY 74 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1j7y n LEU 75 N -3.62 0.22 -0.06 3.11 4.77 -0.69 -1.16 117.00 119.58 1j7y n LEU 75 Ca -0.02 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.65 1j7y n LEU 75 Cb 0.22 -0.51 0.51 0.00 -2.33 0.00 0.00 43.42 41.31 1j7y n LEU 75 CO 0.29 -0.31 0.78 0.00 -1.33 0.00 0.00 177.39 176.82 1j7y n ALA 76 N -1.59 2.86 -2.55 -1.18 0.00 -0.93 -4.14 120.51 112.98 1j7y n ALA 76 Ca 0.04 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 1j7y n ALA 76 Cb 0.22 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.38 1j7y n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j7y n HIS 77 N -1.23 2.21 0.29 0.00 8.25 -0.30 -4.88 115.22 119.55 1j7y n HIS 77 Ca 0.10 -2.80 0.17 0.00 -0.26 0.00 0.00 57.72 54.93 1j7y n HIS 77 Cb 0.31 -0.24 0.84 0.00 1.12 0.00 0.00 29.99 32.01 1j7y n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j7y h LEU 78 N 2.72 0.00 -1.51 2.41 3.38 -1.71 -0.27 115.31 120.32 1j7y h LEU 78 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1j7y h LEU 78 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1j7y h LEU 78 CO 0.63 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.63 1j7y n ASP 79 N -2.76 2.27 -2.77 -0.43 8.00 -1.26 -4.32 116.55 115.28 1j7y n ASP 79 Ca -0.01 -1.80 -0.10 0.00 0.71 0.00 0.00 54.79 53.59 1j7y n ASP 79 Cb 0.14 -0.14 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1j7y n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j7y n ASN 80 N 0.73 -0.63 -0.17 -2.24 5.15 -0.13 -4.98 115.26 112.98 1j7y n ASN 80 Ca 0.17 -2.86 -0.10 0.00 -0.60 0.00 0.00 54.58 51.19 1j7y n ASN 80 Cb 0.43 0.51 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 1j7y n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j7y h LEU 81 N 2.63 0.85 -0.66 1.20 3.38 -1.70 -1.87 115.31 119.15 1j7y h LEU 81 Ca -0.14 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1j7y h LEU 81 Cb 1.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1j7y h LEU 81 CO 0.22 0.94 0.43 0.11 0.09 0.00 0.00 178.44 180.23 1j7y h LYS 82 N 0.74 0.88 -0.30 1.13 1.57 -1.90 -0.72 116.57 117.96 1j7y h LYS 82 Ca 0.14 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1j7y h LYS 82 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1j7y h LYS 82 CO 0.02 0.59 0.05 0.78 -0.57 0.00 0.00 179.45 180.32 1j7y h GLY 83 N 0.90 0.54 0.72 3.86 0.00 -1.94 -0.58 103.07 106.56 1j7y h GLY 83 Ca 0.24 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1j7y h GLY 83 CO -0.05 0.34 0.58 -0.84 0.00 0.00 0.00 176.54 176.56 1j7y h THR 84 N 0.32 1.05 -0.49 4.70 2.02 -1.11 -2.91 112.91 116.50 1j7y h THR 84 Ca 0.09 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1j7y h THR 84 Cb 0.35 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1j7y h THR 84 CO 0.01 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.58 1j7y n PHE 85 N -4.58 0.64 -0.05 3.16 3.72 -0.30 -4.66 117.46 115.39 1j7y n PHE 85 Ca 0.14 -0.34 -0.08 0.00 -0.05 0.00 0.00 57.45 57.12 1j7y n PHE 85 Cb 0.19 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 1j7y n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j7y h ALA 86 N 4.14 0.14 -0.45 4.37 0.00 -0.89 0.81 119.26 127.38 1j7y h ALA 86 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1j7y h ALA 86 Cb 0.95 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1j7y h ALA 86 CO 0.00 -0.48 -0.08 1.15 0.00 0.00 0.00 179.25 179.83 1j7y h THR 87 N -0.02 1.26 -0.13 0.00 2.02 -1.83 -1.48 112.91 112.72 1j7y h THR 87 Ca 0.12 -1.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.07 1j7y h THR 87 Cb 0.20 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1j7y h THR 87 CO -0.26 0.39 -0.30 -0.07 0.37 0.00 0.00 175.52 175.66 1j7y h LEU 88 N 0.73 0.25 -0.03 2.58 3.38 -1.78 -0.90 115.31 119.54 1j7y h LEU 88 Ca 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j7y h LEU 88 Cb 0.56 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1j7y h LEU 88 CO 0.03 0.55 0.01 -1.28 0.09 0.00 0.00 178.44 177.84 1j7y h SER 89 N 0.22 0.04 -0.72 -0.43 0.87 -0.45 0.62 113.55 113.69 1j7y h SER 89 Ca 0.03 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1j7y h SER 89 Cb 0.64 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1j7y h SER 89 CO 0.05 0.22 0.48 -0.33 -0.53 0.00 0.00 176.83 176.71 1j7y h GLU 90 N -0.15 0.95 -0.18 2.24 5.08 -0.98 -1.53 114.58 120.01 1j7y h GLU 90 Ca 0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1j7y h GLU 90 Cb 0.19 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1j7y h GLU 90 CO -0.00 0.63 0.07 1.25 -1.00 0.00 0.00 179.01 179.95 1j7y h LEU 91 N 0.97 0.26 -1.47 1.33 5.85 -0.96 0.73 115.31 122.03 1j7y h LEU 91 Ca 0.27 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1j7y h LEU 91 Cb -0.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1j7y h LEU 91 CO -0.06 0.37 -0.09 0.45 -0.34 0.00 0.00 178.44 178.77 1j7y h HIS 92 N 0.13 0.24 0.05 1.25 3.86 -0.55 -1.17 115.15 118.97 1j7y h HIS 92 Ca 0.06 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1j7y h HIS 92 Cb 0.20 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1j7y h HIS 92 CO -0.01 0.33 -0.03 0.00 0.86 0.00 0.00 177.93 179.09 1j7y h ASP 94 N -0.77 0.57 0.00 0.00 3.32 -0.89 -2.97 116.42 115.69 1j7y h ASP 94 Ca -0.01 -0.29 -0.26 0.00 0.02 0.00 0.00 57.03 56.48 1j7y h ASP 94 Cb 0.05 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1j7y h ASP 94 CO 0.01 0.99 -1.99 0.29 -1.72 0.00 0.00 179.24 176.82 1j7y n LYS 95 N -3.97 0.43 0.02 3.56 4.76 -0.67 -4.73 118.16 117.56 1j7y n LYS 95 Ca -0.03 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.63 1j7y n LYS 95 Cb 0.59 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 32.51 1j7y n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j7y n LEU 96 N -3.09 0.64 -3.71 -0.35 4.77 -0.53 -4.98 117.00 109.74 1j7y n LEU 96 Ca -0.31 -0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.37 1j7y n LEU 96 Cb 0.82 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.84 1j7y n LEU 96 CO 0.16 0.07 0.12 1.41 -1.33 0.00 0.00 177.39 177.82 1j7y n HIS 97 N -1.83 -2.40 -3.30 -1.77 8.25 -0.12 -4.95 115.22 109.09 1j7y n HIS 97 Ca 0.03 0.93 -0.39 0.00 -0.26 0.00 0.00 57.72 58.03 1j7y n HIS 97 Cb 0.41 -4.54 -0.07 0.00 1.12 0.00 0.00 29.99 26.90 1j7y n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j7y s VAL 98 N -3.39 5.13 0.12 1.59 1.01 -0.38 -5.03 120.40 119.46 1j7y s VAL 98 Ca 0.43 0.82 -0.31 0.00 0.00 0.00 0.00 61.98 62.92 1j7y s VAL 98 Cb -0.20 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1j7y s VAL 98 CO 0.78 0.17 1.50 -0.62 0.00 0.00 0.00 175.10 176.93 1j7y s ASP 99 N 1.31 6.70 0.59 3.32 -1.08 -1.26 -4.74 116.67 121.50 1j7y s ASP 99 Ca 0.21 2.46 0.36 0.00 -0.52 0.00 0.00 52.55 55.05 1j7y s ASP 99 Cb -0.15 -2.58 1.95 0.00 -1.46 0.00 0.00 42.92 40.67 1j7y s ASP 99 CO 0.09 -0.76 2.09 -0.65 0.52 0.00 0.00 175.17 176.46 1j7y h PRO 100 N 7.08 0.00 -0.30 4.34 0.11 -1.96 -0.57 132.00 140.70 1j7y h PRO 100 Ca -0.42 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1j7y h PRO 100 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1j7y h PRO 100 CO 0.90 0.00 0.20 1.49 -0.21 0.00 0.00 178.00 180.38 1j7y h GLU 101 N 0.00 0.28 -0.44 1.05 4.57 -1.98 -0.32 114.58 117.75 1j7y h GLU 101 Ca 0.00 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 1j7y h GLU 101 Cb 0.19 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1j7y h GLU 101 CO 0.00 0.19 0.31 -0.91 -1.18 0.00 0.00 179.01 177.41 1j7y h ASN 102 N 0.29 0.10 -0.38 1.04 4.21 -1.46 -1.53 115.58 117.85 1j7y h ASN 102 Ca 0.12 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.52 1j7y h ASN 102 Cb 0.13 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 1j7y h ASN 102 CO -0.03 0.06 -0.19 -0.26 -1.29 0.00 0.00 177.43 175.72 1j7y h PHE 103 N 0.11 0.98 -0.38 1.19 0.04 -1.23 -0.22 116.94 117.43 1j7y h PHE 103 Ca 0.21 -0.22 -0.14 0.00 2.80 0.00 0.00 57.97 60.61 1j7y h PHE 103 Cb 0.67 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1j7y h PHE 103 CO -0.00 0.98 -0.33 0.00 -0.60 0.00 0.00 178.31 178.36 1j7y h ARG 104 N 0.76 0.85 -0.54 1.51 3.08 -1.27 -0.56 114.38 118.21 1j7y h ARG 104 Ca 0.11 -0.41 -0.11 0.00 0.07 0.00 0.00 59.98 59.64 1j7y h ARG 104 Cb 0.73 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1j7y h ARG 104 CO 0.06 1.05 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.86 1j7y h LEU 105 N 0.71 1.00 -1.04 3.04 3.38 -1.15 -0.94 115.31 120.31 1j7y h LEU 105 Ca 0.07 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1j7y h LEU 105 Cb 0.89 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1j7y h LEU 105 CO 0.08 1.10 0.23 0.25 0.09 0.00 0.00 178.44 180.19 1j7y h LEU 106 N 0.88 0.84 -0.80 1.67 5.85 -0.94 -1.05 115.31 121.77 1j7y h LEU 106 Ca 0.14 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1j7y h LEU 106 Cb 0.64 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1j7y h LEU 106 CO 0.04 0.77 0.45 1.23 -0.34 0.00 0.00 178.44 180.59 1j7y h GLY 107 N 1.01 1.18 1.06 3.75 0.00 -0.53 0.92 103.07 110.46 1j7y h GLY 107 Ca 0.21 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1j7y h GLY 107 CO -0.02 0.50 0.12 3.43 0.00 0.00 0.00 176.54 180.58 1j7y h ASN 108 N 1.10 1.05 -0.01 0.19 2.35 -0.60 -1.66 115.58 118.00 1j7y h ASN 108 Ca 0.28 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 1j7y h ASN 108 Cb 0.01 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1j7y h ASN 108 CO -0.05 1.03 -0.44 0.58 -1.65 0.00 0.00 177.43 176.91 1j7y h VAL 109 N 1.02 1.31 -0.40 2.81 2.07 -0.71 -2.30 116.25 120.04 1j7y h VAL 109 Ca 0.21 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1j7y h VAL 109 Cb 0.42 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1j7y h VAL 109 CO 0.01 0.51 0.23 0.25 0.02 0.00 0.00 177.57 178.59 1j7y h LEU 110 N 0.44 0.50 -0.63 2.57 5.85 -0.59 0.63 115.31 124.08 1j7y h LEU 110 Ca 0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1j7y h LEU 110 Cb 0.95 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1j7y h LEU 110 CO 0.08 0.44 0.39 0.58 -0.34 0.00 0.00 178.44 179.60 1j7y h VAL 111 N 0.52 1.17 -1.01 1.05 2.07 -1.10 0.11 116.25 119.08 1j7y h VAL 111 Ca 0.14 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1j7y h VAL 111 Cb 0.04 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1j7y h VAL 111 CO -0.02 0.17 0.67 0.00 0.02 0.00 0.00 177.57 178.41 1j7y h VAL 113 N 1.35 1.27 -0.72 0.00 2.07 -0.18 0.38 116.25 120.42 1j7y h VAL 113 Ca 0.38 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1j7y h VAL 113 Cb -0.12 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1j7y h VAL 113 CO -0.09 0.48 0.19 -0.07 0.02 0.00 0.00 177.57 178.10 1j7y h LEU 114 N 0.77 1.08 -0.48 2.57 3.38 -0.55 0.18 115.31 122.26 1j7y h LEU 114 Ca 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1j7y h LEU 114 Cb 0.83 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1j7y h LEU 114 CO 0.07 1.02 0.25 0.00 0.09 0.00 0.00 178.44 179.87 1j7y h ALA 115 N 1.10 0.62 -0.38 1.53 0.00 -0.88 -0.34 119.26 120.90 1j7y h ALA 115 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1j7y h ALA 115 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1j7y h ALA 115 CO -0.00 0.17 0.20 1.25 0.00 0.00 0.00 179.25 180.87 1j7y h HIS 116 N 0.64 0.53 -0.25 0.00 -0.00 -0.53 -0.08 115.15 115.45 1j7y h HIS 116 Ca 0.17 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 1j7y h HIS 116 Cb 0.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1j7y h HIS 116 CO -0.01 0.42 -0.03 1.25 -0.00 0.00 0.00 177.93 179.56 1j7y h HIS 117 N 0.48 0.52 0.00 5.26 6.17 -0.54 -3.32 115.15 123.72 1j7y h HIS 117 Ca 0.13 -0.10 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1j7y h HIS 117 Cb 0.07 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.87 1j7y h HIS 117 CO -0.02 0.66 -1.07 1.19 0.71 0.00 0.00 177.93 179.39 1j7y n PHE 118 N -4.59 0.14 -0.53 5.26 3.72 -0.15 -5.04 117.46 116.27 1j7y n PHE 118 Ca -0.04 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1j7y n PHE 118 Cb 0.27 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1j7y n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j7y n GLY 119 N 1.41 3.48 0.29 1.37 0.00 -0.05 -2.18 105.19 109.52 1j7y n GLY 119 Ca 0.02 -0.12 0.20 0.00 0.00 0.00 0.00 46.02 46.12 1j7y n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j7y h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.60 116.57 118.92 1j7y h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1j7y h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1j7y h LYS 120 CO 0.00 0.00 -0.09 1.49 -2.00 0.00 0.00 179.45 178.85 1j7y h GLU 121 N 0.00 0.00 -3.72 0.07 4.81 -1.83 -3.25 114.58 110.66 1j7y h GLU 121 Ca 0.00 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.49 1j7y h GLU 121 Cb 0.16 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.44 1j7y h GLU 121 CO 0.00 0.09 2.45 0.34 -0.73 0.00 0.00 179.01 181.16 1j7y n PHE 122 N -3.34 3.20 -1.09 0.92 7.35 0.20 -4.91 117.46 119.78 1j7y n PHE 122 Ca -0.01 -2.87 -0.29 0.00 -0.76 0.00 0.00 57.45 53.53 1j7y n PHE 122 Cb 0.28 -2.19 0.19 0.00 0.35 0.00 0.00 39.48 38.11 1j7y n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j7y s THR 123 N 1.50 1.96 0.17 -2.13 -4.23 -1.23 -4.65 115.64 107.04 1j7y s THR 123 Ca 0.43 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.77 1j7y s THR 123 Cb 0.11 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.61 1j7y s THR 123 CO -0.03 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.06 1j7y h PRO 124 N -2.07 0.00 -0.62 3.99 0.11 -1.93 0.81 132.00 132.29 1j7y h PRO 124 Ca -0.55 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.50 1j7y h PRO 124 Cb 1.33 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 1j7y h PRO 124 CO 0.55 0.00 0.14 -1.35 -0.21 0.00 0.00 178.00 177.13 1j7y h PRO 125 N 0.00 0.98 -0.45 1.05 0.11 -1.99 -1.05 132.00 130.65 1j7y h PRO 125 Ca 0.20 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1j7y h PRO 125 Cb 0.31 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1j7y h PRO 125 CO -0.43 0.88 0.13 0.28 -0.21 0.00 0.00 178.00 178.64 1j7y h VAL 126 N 0.93 1.23 -0.32 3.15 2.07 -1.68 -1.78 116.25 119.85 1j7y h VAL 126 Ca 0.20 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1j7y h VAL 126 Cb 0.34 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1j7y h VAL 126 CO 0.00 0.27 0.18 -0.61 0.02 0.00 0.00 177.57 177.44 1j7y h GLN 127 N 0.59 0.37 -0.74 1.57 4.15 -0.69 -1.54 115.11 118.81 1j7y h GLN 127 Ca 0.14 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.57 1j7y h GLN 127 Cb 0.28 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 1j7y h GLN 127 CO -0.00 0.24 0.49 0.00 -1.93 0.00 0.00 178.83 177.63 1j7y h ALA 128 N 1.14 1.55 -0.34 3.38 0.00 -0.84 0.26 119.26 124.42 1j7y h ALA 128 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1j7y h ALA 128 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j7y h ALA 128 CO -0.06 0.38 0.05 0.00 0.00 0.00 0.00 179.25 179.61 1j7y h ALA 129 N 1.56 0.45 -0.37 0.00 0.00 -0.86 -2.41 119.26 117.63 1j7y h ALA 129 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1j7y h ALA 129 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1j7y h ALA 129 CO -0.08 0.17 -0.05 1.88 0.00 0.00 0.00 179.25 181.17 1j7y h TYR 130 N 0.40 0.65 -0.84 0.00 0.05 -0.41 -2.09 116.97 114.73 1j7y h TYR 130 Ca 0.10 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1j7y h TYR 130 Cb 0.37 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 1j7y h TYR 130 CO 0.03 0.65 0.50 1.96 -1.05 0.00 0.00 178.16 180.25 1j7y h GLN 131 N 0.58 1.15 -0.63 4.88 1.08 -0.32 0.86 115.11 122.72 1j7y h GLN 131 Ca 0.11 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1j7y h GLN 131 Cb 0.44 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 1j7y h GLN 131 CO 0.02 0.82 0.40 0.87 -0.95 0.00 0.00 178.83 179.99 1j7y h LYS 132 N 1.16 0.84 -0.11 1.46 1.57 -0.97 -1.35 116.57 119.17 1j7y h LYS 132 Ca 0.30 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1j7y h LYS 132 Cb -0.03 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1j7y h LYS 132 CO -0.05 0.58 0.03 0.28 -0.57 0.00 0.00 179.45 179.71 1j7y h VAL 133 N 0.85 1.20 -0.12 0.50 2.07 -0.83 0.19 116.25 120.11 1j7y h VAL 133 Ca 0.23 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 1j7y h VAL 133 Cb -0.06 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1j7y h VAL 133 CO -0.05 0.18 -0.40 -0.37 0.02 0.00 0.00 177.57 176.95 1j7y h VAL 134 N -0.03 1.31 -0.54 2.57 -1.51 -0.74 0.68 116.25 117.98 1j7y h VAL 134 Ca 0.03 -1.51 -0.12 0.00 -1.23 0.00 0.00 66.70 63.88 1j7y h VAL 134 Cb 0.25 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.06 1j7y h VAL 134 CO 0.00 0.45 -0.11 0.00 -1.23 0.00 0.00 177.57 176.68 1j7y h ALA 135 N 1.36 0.77 -0.42 5.19 0.00 -1.16 -1.09 119.26 123.91 1j7y h ALA 135 Ca 0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1j7y h ALA 135 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1j7y h ALA 135 CO 0.06 0.67 0.26 0.78 0.00 0.00 0.00 179.25 181.03 1j7y h GLY 136 N 0.93 0.61 1.05 0.00 0.00 -0.33 -0.12 103.07 105.22 1j7y h GLY 136 Ca 0.14 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1j7y h GLY 136 CO 0.05 0.24 -0.21 -2.08 0.00 0.00 0.00 176.54 174.54 1j7y h VAL 137 N 0.56 1.28 -0.80 4.60 2.07 -0.77 -0.81 116.25 122.37 1j7y h VAL 137 Ca 0.15 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1j7y h VAL 137 Cb -0.01 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1j7y h VAL 137 CO -0.03 0.46 0.37 0.00 0.02 0.00 0.00 177.57 178.39 1j7y h ALA 138 N 0.82 1.03 -0.54 1.67 0.00 -1.04 0.81 119.26 122.02 1j7y h ALA 138 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1j7y h ALA 138 Cb 0.78 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1j7y h ALA 138 CO 0.06 0.62 -0.07 -0.91 0.00 0.00 0.00 179.25 178.95 1j7y h ASN 139 N 1.14 0.96 -0.40 0.00 2.35 -0.90 -0.96 115.58 117.78 1j7y h ASN 139 Ca 0.27 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1j7y h ASN 139 Cb 0.15 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1j7y h ASN 139 CO -0.03 1.06 0.10 0.00 -1.65 0.00 0.00 177.43 176.91 1j7y h ALA 140 N 1.03 0.53 0.00 -0.83 0.00 -0.67 -1.46 119.26 117.87 1j7y h ALA 140 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j7y h ALA 140 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1j7y h ALA 140 CO 0.04 0.20 0.00 -0.07 0.00 0.00 0.00 179.25 179.42 1j7y h LEU 141 N 0.50 0.00 0.00 0.00 3.38 -0.60 -2.88 115.31 115.72 1j7y h LEU 141 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1j7y h LEU 141 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1j7y h LEU 141 CO 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 178.44 177.79 1j7y n ALA 142 N -2.00 3.86 0.22 1.53 0.00 -0.39 -4.38 120.51 119.35 1j7y n ALA 142 Ca 0.01 -0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.07 1j7y n ALA 142 Cb 0.30 -0.99 0.49 0.00 0.00 0.00 0.00 19.45 19.25 1j7y n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j7y h HIS 143 N 0.00 0.00 -0.35 0.00 6.17 -1.05 -2.56 115.15 117.36 1j7y h HIS 143 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1j7y h HIS 143 Cb 0.55 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1j7y h HIS 143 CO 0.00 0.19 0.00 1.63 0.71 0.00 0.00 177.93 180.46 1j7y n LYS 144 N -4.31 2.11 -2.10 5.26 4.76 -1.26 -4.92 118.16 117.70 1j7y n LYS 144 Ca -0.02 -1.69 -0.37 0.00 -2.87 0.00 0.00 58.31 53.36 1j7y n LYS 144 Cb 0.25 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 1j7y n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j7y s TYR 145 N -1.54 2.60 0.00 2.13 1.51 -0.97 -4.76 117.35 116.32 1j7y s TYR 145 Ca 0.34 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.91 1j7y s TYR 145 Cb 0.19 -3.48 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 1j7y s TYR 145 CO 0.26 -1.98 0.00 -2.39 -1.11 0.00 0.00 175.55 170.33