#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7s s HIS 2 N 0.00 2.86 -0.08 3.17 5.65 -1.26 -4.65 115.29 120.97 1j7s s HIS 2 Ca 0.00 0.57 0.03 0.00 0.25 0.00 0.00 55.06 55.91 1j7s s HIS 2 Cb 0.00 -4.25 -0.02 0.00 -1.18 0.00 0.00 32.58 27.13 1j7s s HIS 2 CO 0.00 -1.21 -0.18 -0.51 -0.65 0.00 0.00 174.74 172.20 1j7s s LEU 3 N 4.17 2.48 0.93 8.88 1.43 -1.26 -5.12 118.68 130.19 1j7s s LEU 3 Ca 0.43 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1j7s s LEU 3 Cb -0.08 -1.51 0.15 0.00 0.03 0.00 0.00 46.19 44.78 1j7s s LEU 3 CO 0.30 0.25 1.10 0.42 0.23 0.00 0.00 176.35 178.65 1j7s s THR 4 N -0.18 2.43 0.28 5.49 -4.23 -1.26 -4.76 115.64 113.41 1j7s s THR 4 Ca -0.01 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1j7s s THR 4 Cb -0.13 -2.36 0.27 0.00 1.34 0.00 0.00 72.50 71.62 1j7s s THR 4 CO 0.03 -0.18 1.90 -0.65 -0.54 0.00 0.00 174.62 175.18 1j7s h PRO 5 N -1.81 1.10 -0.65 3.99 0.11 -2.00 -1.07 132.00 131.68 1j7s h PRO 5 Ca -0.48 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1j7s h PRO 5 Cb 1.28 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1j7s h PRO 5 CO 0.48 0.73 0.19 0.93 -0.21 0.00 0.00 178.00 180.12 1j7s h GLU 6 N 1.14 1.02 -0.31 1.05 3.07 -1.99 -1.98 114.58 116.58 1j7s h GLU 6 Ca 0.40 -0.23 -0.18 0.00 -0.50 0.00 0.00 59.36 58.86 1j7s h GLU 6 Cb 0.13 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1j7s h GLU 6 CO -0.15 0.90 -0.50 0.93 -1.40 0.00 0.00 179.01 178.79 1j7s h GLU 7 N 0.94 0.86 -0.69 2.33 5.08 -1.59 -1.68 114.58 119.83 1j7s h GLU 7 Ca 0.21 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1j7s h GLU 7 Cb 0.32 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1j7s h GLU 7 CO -0.00 1.16 0.37 -0.22 -1.00 0.00 0.00 179.01 179.31 1j7s h LYS 8 N 0.67 0.97 -0.48 2.33 1.63 -1.22 -1.01 116.57 119.46 1j7s h LYS 8 Ca 0.03 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 1j7s h LYS 8 Cb 1.10 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 1j7s h LYS 8 CO 0.11 0.74 -0.07 1.03 -3.45 0.00 0.00 179.45 177.81 1j7s h SER 9 N 0.95 0.89 -0.46 4.20 0.87 -1.35 -1.52 113.55 117.13 1j7s h SER 9 Ca 0.24 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1j7s h SER 9 Cb 0.06 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1j7s h SER 9 CO -0.04 1.02 0.18 0.00 -0.53 0.00 0.00 176.83 177.47 1j7s h ALA 10 N 0.90 0.60 0.15 6.23 0.00 -0.77 -1.61 119.26 124.76 1j7s h ALA 10 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j7s h ALA 10 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1j7s h ALA 10 CO 0.04 0.22 -0.13 0.28 0.00 0.00 0.00 179.25 179.66 1j7s h VAL 11 N 0.60 0.72 -0.60 0.00 2.07 -0.94 -3.01 116.25 115.10 1j7s h VAL 11 Ca 0.15 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 1j7s h VAL 11 Cb 0.21 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1j7s h VAL 11 CO -0.01 0.00 0.05 0.74 0.02 0.00 0.00 177.57 178.37 1j7s h THR 12 N -0.29 1.26 -0.50 2.57 2.02 -1.28 -2.59 112.91 114.10 1j7s h THR 12 Ca -0.00 -1.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.00 1j7s h THR 12 Cb 0.27 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1j7s h THR 12 CO -0.02 0.39 -0.10 0.00 0.37 0.00 0.00 175.52 176.16 1j7s h ALA 13 N 1.00 0.68 -0.35 6.16 0.00 -1.27 -2.85 119.26 122.63 1j7s h ALA 13 Ca 0.18 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1j7s h ALA 13 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j7s h ALA 13 CO 0.02 0.58 -0.40 1.25 0.00 0.00 0.00 179.25 180.71 1j7s h LEU 14 N 0.81 0.92 -1.50 0.00 7.12 -1.48 -3.11 115.31 118.06 1j7s h LEU 14 Ca 0.13 -0.42 -0.05 0.00 0.13 0.00 0.00 57.88 57.66 1j7s h LEU 14 Cb 0.66 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 1j7s h LEU 14 CO 0.05 1.20 -0.25 -0.25 -0.13 0.00 0.00 178.44 179.05 1j7s h TRP 15 N 0.70 0.00 0.00 1.25 2.91 -1.29 -0.62 115.95 118.90 1j7s h TRP 15 Ca 0.06 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1j7s h TRP 15 Cb 0.97 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1j7s h TRP 15 CO 0.06 0.25 -0.03 0.78 -1.03 0.00 0.00 178.44 178.47 1j7s h GLY 16 N 1.06 0.00 -0.16 2.65 0.00 -1.43 -2.33 103.07 102.85 1j7s h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j7s h GLY 16 CO 0.03 0.00 -0.32 0.28 0.00 0.00 0.00 176.54 176.53 1j7s n LYS 17 N -3.34 0.97 -2.85 4.80 5.02 -0.24 -4.97 118.16 117.55 1j7s n LYS 17 Ca -0.02 -0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 55.21 1j7s n LYS 17 Cb 0.14 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1j7s n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j7s s VAL 18 N -2.48 4.33 -0.50 -0.18 1.01 -0.88 -5.00 120.40 116.70 1j7s s VAL 18 Ca 0.23 1.90 -0.18 0.00 0.00 0.00 0.00 61.98 63.93 1j7s s VAL 18 Cb 0.19 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.39 1j7s s VAL 18 CO 0.53 0.46 0.56 0.21 0.00 0.00 0.00 175.10 176.86 1j7s s ASN 19 N -0.80 6.20 0.41 3.32 2.47 -1.26 -4.94 114.94 120.34 1j7s s ASN 19 Ca 0.40 -1.04 0.08 0.00 0.42 0.00 0.00 52.86 52.72 1j7s s ASN 19 Cb -0.24 -2.26 0.89 0.00 -1.45 0.00 0.00 41.25 38.19 1j7s s ASN 19 CO 0.29 -0.83 2.04 0.58 -3.72 0.00 0.00 177.10 175.46 1j7s h VAL 20 N 5.83 1.07 -0.11 -5.21 2.07 -1.95 -2.00 116.25 115.96 1j7s h VAL 20 Ca -0.28 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1j7s h VAL 20 Cb 1.10 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1j7s h VAL 20 CO 0.94 0.10 -0.18 0.44 0.02 0.00 0.00 177.57 178.90 1j7s h ASP 21 N 0.54 0.34 -0.17 0.57 3.32 -1.92 -1.55 116.42 117.54 1j7s h ASP 21 Ca 0.18 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1j7s h ASP 21 Cb 0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1j7s h ASP 21 CO -0.04 0.81 0.06 -0.33 -1.72 0.00 0.00 179.24 178.02 1j7s h GLU 22 N -0.12 0.27 -0.45 3.56 4.39 -1.90 -1.83 114.58 118.49 1j7s h GLU 22 Ca 0.01 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1j7s h GLU 22 Cb 0.75 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1j7s h GLU 22 CO 0.04 0.36 -0.08 0.28 -1.16 0.00 0.00 179.01 178.46 1j7s h VAL 23 N 0.12 1.25 -0.58 3.13 2.07 -1.45 -2.00 116.25 118.78 1j7s h VAL 23 Ca 0.06 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.35 1j7s h VAL 23 Cb 0.20 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1j7s h VAL 23 CO -0.00 0.39 -0.05 1.23 0.02 0.00 0.00 177.57 179.15 1j7s h GLY 24 N 0.97 1.15 0.88 2.17 0.00 -1.14 -0.28 103.07 106.82 1j7s h GLY 24 Ca 0.13 -0.88 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1j7s h GLY 24 CO 0.03 0.81 -0.07 -1.33 0.00 0.00 0.00 176.54 175.98 1j7s h GLY 25 N 0.96 0.59 0.94 4.60 0.00 -1.24 -2.16 103.07 106.77 1j7s h GLY 25 Ca 0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1j7s h GLY 25 CO 0.04 0.45 -0.03 0.83 0.00 0.00 0.00 176.54 177.83 1j7s h GLU 26 N 0.30 -0.08 -0.12 4.80 4.39 -1.16 -1.36 114.58 121.36 1j7s h GLU 26 Ca 0.07 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1j7s h GLU 26 Cb 0.56 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1j7s h GLU 26 CO 0.03 -0.00 0.07 0.00 -1.16 0.00 0.00 179.01 177.95 1j7s h ALA 27 N 0.79 0.15 -0.28 3.43 0.00 -0.99 -1.04 119.26 121.32 1j7s h ALA 27 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1j7s h ALA 27 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1j7s h ALA 27 CO 0.01 -0.35 0.14 1.25 0.00 0.00 0.00 179.25 180.30 1j7s h LEU 28 N 0.13 0.36 -0.52 0.00 5.85 -1.43 -1.47 115.31 118.23 1j7s h LEU 28 Ca 0.04 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1j7s h LEU 28 Cb 0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1j7s h LEU 28 CO -0.01 0.38 0.29 1.23 -0.34 0.00 0.00 178.44 179.99 1j7s h GLY 29 N 0.32 0.74 1.86 3.75 0.00 -1.13 -2.24 103.07 106.37 1j7s h GLY 29 Ca 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1j7s h GLY 29 CO -0.01 0.15 -0.27 3.21 0.00 0.00 0.00 176.54 179.61 1j7s h ARG 30 N 0.56 0.17 -0.27 4.80 3.08 -1.11 -1.66 114.38 119.95 1j7s h ARG 30 Ca 0.22 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1j7s h ARG 30 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1j7s h ARG 30 CO -0.13 0.44 0.15 1.25 -1.07 0.00 0.00 179.97 180.60 1j7s h LEU 31 N 0.15 0.33 -1.33 3.04 5.85 -0.67 -0.13 115.31 122.55 1j7s h LEU 31 Ca 0.02 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1j7s h LEU 31 Cb 0.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1j7s h LEU 31 CO 0.04 0.31 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.05 1j7s h LEU 32 N 0.32 0.00 0.02 2.25 4.07 -1.18 -1.53 115.31 119.26 1j7s h LEU 32 Ca 0.09 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 1j7s h LEU 32 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 1j7s h LEU 32 CO -0.02 0.32 -0.35 0.58 -1.08 0.00 0.00 178.44 177.89 1j7s h VAL 33 N 0.00 1.58 0.00 1.22 2.07 -1.04 -3.29 116.25 116.79 1j7s h VAL 33 Ca -0.00 -2.34 -0.19 0.00 0.82 0.00 0.00 66.70 64.99 1j7s h VAL 33 Cb 0.63 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 1j7s h VAL 33 CO 0.04 0.57 -0.85 0.58 0.02 0.00 0.00 177.57 177.93 1j7s h VAL 34 N -0.92 1.53 -2.60 2.57 2.07 -1.05 -3.36 116.25 114.48 1j7s h VAL 34 Ca -0.09 -2.69 -0.60 0.00 0.82 0.00 0.00 66.70 64.14 1j7s h VAL 34 Cb 1.14 2.48 -0.41 0.00 -1.52 0.00 0.00 31.29 32.98 1j7s h VAL 34 CO -0.02 0.78 -0.73 -1.22 0.02 0.00 0.00 177.57 176.39 1j7s n TYR 35 N -3.62 1.98 0.33 1.57 4.01 -0.58 -5.00 117.16 115.85 1j7s n TYR 35 Ca -0.02 -3.97 0.22 0.00 -0.16 0.00 0.00 57.90 53.97 1j7s n TYR 35 Cb 0.80 -0.38 1.18 0.00 -0.31 0.00 0.00 39.34 40.63 1j7s n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j7s h PRO 36 N 5.02 0.00 0.00 -0.72 0.13 -1.73 -1.29 132.00 133.42 1j7s h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1j7s h PRO 36 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1j7s h PRO 36 CO 0.64 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.52 1j7s h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.93 -1.18 115.95 114.50 1j7s h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j7s h TRP 37 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.24 1j7s h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1j7s h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.56 -2.67 112.91 110.15 1j7s h THR 38 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1j7s h THR 38 Cb 0.32 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1j7s h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1j7s n GLN 39 N -2.38 0.01 0.29 4.72 6.02 -0.45 -2.87 117.38 122.72 1j7s n GLN 39 Ca 0.00 0.30 0.18 0.00 -0.01 0.00 0.00 57.00 57.47 1j7s n GLN 39 Cb 0.15 -1.53 0.97 0.00 1.02 0.00 0.00 30.24 30.86 1j7s n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1j7s h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.70 -0.32 114.38 111.38 1j7s h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j7s h ARG 40 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1j7s h ARG 40 CO 0.00 0.00 -0.23 1.19 0.10 0.00 0.00 179.97 181.03 1j7s n PHE 41 N -3.54 0.00 -2.18 4.08 3.72 -1.14 -4.44 117.46 113.96 1j7s n PHE 41 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1j7s n PHE 41 Cb 0.17 -0.26 0.08 0.00 -0.94 0.00 0.00 39.48 38.53 1j7s n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j7s n PHE 42 N -1.20 1.01 -0.31 1.38 3.72 -0.13 -4.85 117.46 117.09 1j7s n PHE 42 Ca 0.10 -1.60 0.23 0.00 -0.05 0.00 0.00 57.45 56.12 1j7s n PHE 42 Cb 0.32 -0.25 0.52 0.00 -0.94 0.00 0.00 39.48 39.13 1j7s n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j7s h GLU 43 N 1.66 0.37 -0.11 -1.08 4.39 -1.78 -1.17 114.58 116.86 1j7s h GLU 43 Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j7s h GLU 43 Cb 1.41 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1j7s h GLU 43 CO 0.27 0.24 0.00 -1.13 -1.16 0.00 0.00 179.01 177.23 1j7s n SER 44 N -4.58 0.83 0.03 1.42 3.41 -1.26 -4.26 113.62 109.21 1j7s n SER 44 Ca 0.24 -1.70 0.13 0.00 -0.26 0.00 0.00 58.87 57.28 1j7s n SER 44 Cb 0.86 -0.07 0.35 0.00 -0.26 0.00 0.00 64.21 65.09 1j7s n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j7s n PHE 45 N -0.18 0.28 0.00 7.33 3.01 -0.44 -5.06 117.46 122.40 1j7s n PHE 45 Ca 0.12 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1j7s n PHE 45 Cb 0.18 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1j7s n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j7s n GLY 46 N 1.43 0.04 3.66 1.37 0.00 -1.26 -4.67 105.19 105.76 1j7s n GLY 46 Ca 0.05 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1j7s n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j7s s ASP 47 N -4.00 6.84 -0.12 1.61 2.15 -1.26 -4.85 116.67 117.04 1j7s s ASP 47 Ca 0.00 1.85 0.15 0.00 0.43 0.00 0.00 52.55 54.98 1j7s s ASP 47 Cb 0.00 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.36 1j7s s ASP 47 CO 0.00 -0.83 1.14 0.18 -0.17 0.00 0.00 175.17 175.49 1j7s n LEU 48 N 6.83 1.99 -0.04 -1.34 4.77 -1.26 -4.31 117.00 123.63 1j7s n LEU 48 Ca 0.15 -2.87 -0.05 0.00 -0.03 0.00 0.00 56.01 53.20 1j7s n LEU 48 Cb 0.44 -0.36 0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1j7s n LEU 48 CO 0.58 0.76 0.73 0.77 -1.33 0.00 0.00 177.39 178.91 1j7s h SER 49 N 0.23 0.65 -4.35 -1.43 4.64 -1.92 -3.43 113.55 107.94 1j7s h SER 49 Ca -0.01 -0.22 -0.42 0.00 -0.47 0.00 0.00 61.79 60.67 1j7s h SER 49 Cb 1.10 -0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 62.88 1j7s h SER 49 CO 0.00 0.86 -0.57 0.42 -0.87 0.00 0.00 176.83 176.67 1j7s s THR 50 N -4.59 0.50 0.18 2.95 -4.23 -1.26 -5.02 115.64 104.16 1j7s s THR 50 Ca -0.08 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 1j7s s THR 50 Cb 0.13 -2.55 0.09 0.00 1.34 0.00 0.00 72.50 71.51 1j7s s THR 50 CO 0.81 0.00 1.83 -0.65 -0.54 0.00 0.00 174.62 176.07 1j7s h PRO 51 N 2.20 0.79 -0.59 3.99 0.11 -1.99 0.10 132.00 136.62 1j7s h PRO 51 Ca -0.36 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1j7s h PRO 51 Cb 1.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1j7s h PRO 51 CO 0.57 0.56 0.15 -0.44 -0.21 0.00 0.00 178.00 178.62 1j7s h ASP 52 N 0.79 0.88 -0.47 -2.05 3.32 -1.98 0.65 116.42 117.56 1j7s h ASP 52 Ca 0.21 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1j7s h ASP 52 Cb -0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1j7s h ASP 52 CO -0.04 0.87 0.08 0.00 -1.72 0.00 0.00 179.24 178.44 1j7s h ALA 53 N 1.04 0.63 0.28 3.45 0.00 -1.74 -1.11 119.26 121.80 1j7s h ALA 53 Ca 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j7s h ALA 53 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1j7s h ALA 53 CO -0.00 0.35 -0.25 0.28 0.00 0.00 0.00 179.25 179.63 1j7s h VAL 54 N 0.65 0.47 -0.16 0.00 2.07 -0.53 -2.00 116.25 116.74 1j7s h VAL 54 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1j7s h VAL 54 Cb 0.38 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1j7s h VAL 54 CO 0.01 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.80 1j7s h MET 55 N -0.55 0.23 -0.01 1.57 2.07 -0.74 -2.62 114.93 114.88 1j7s h MET 55 Ca -0.01 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1j7s h MET 55 Cb 0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 1j7s h MET 55 CO -0.04 0.29 -0.22 0.41 1.07 0.00 0.00 176.91 178.42 1j7s n GLY 56 N -1.12 -0.44 3.66 8.32 0.00 -0.43 -4.91 105.19 110.28 1j7s n GLY 56 Ca -0.01 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1j7s n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j7s s ASN 57 N -2.40 6.83 0.49 1.61 3.84 -0.76 -4.89 114.94 119.66 1j7s s ASN 57 Ca 0.26 1.95 0.16 0.00 0.21 0.00 0.00 52.86 55.44 1j7s s ASN 57 Cb 0.19 -2.54 1.17 0.00 -0.55 0.00 0.00 41.25 39.53 1j7s s ASN 57 CO 0.49 -0.82 2.08 1.55 -2.79 0.00 0.00 177.10 177.61 1j7s h PRO 58 N 8.66 0.00 -0.19 0.43 0.13 -1.91 -1.96 132.00 137.16 1j7s h PRO 58 Ca -0.33 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.65 1j7s h PRO 58 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1j7s h PRO 58 CO 0.95 0.08 -0.50 0.87 -0.23 0.00 0.00 178.00 179.17 1j7s h LYS 59 N 0.00 0.52 -0.61 0.86 1.57 -1.90 -0.59 116.57 116.42 1j7s h LYS 59 Ca -0.00 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1j7s h LYS 59 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1j7s h LYS 59 CO 0.01 0.90 0.15 0.28 -0.57 0.00 0.00 179.45 180.23 1j7s h VAL 60 N 0.41 1.25 -0.40 0.50 2.07 -1.69 -1.39 116.25 117.00 1j7s h VAL 60 Ca 0.02 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 1j7s h VAL 60 Cb 1.02 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1j7s h VAL 60 CO 0.09 0.34 -0.23 0.11 0.02 0.00 0.00 177.57 177.90 1j7s h LYS 61 N 0.89 0.81 -0.29 1.57 1.57 -1.11 -0.58 116.57 119.43 1j7s h LYS 61 Ca 0.19 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 1j7s h LYS 61 Cb 0.35 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1j7s h LYS 61 CO 0.00 0.96 -0.51 0.00 -0.57 0.00 0.00 179.45 179.34 1j7s h ALA 62 N 1.03 0.55 -0.62 3.86 0.00 -1.00 -2.55 119.26 120.53 1j7s h ALA 62 Ca 0.09 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1j7s h ALA 62 Cb 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1j7s h ALA 62 CO 0.06 0.68 0.03 1.25 0.00 0.00 0.00 179.25 181.27 1j7s h HIS 63 N 0.65 1.16 -0.73 0.00 -0.00 -1.12 -2.75 115.15 112.36 1j7s h HIS 63 Ca 0.02 -0.19 0.06 0.00 -0.00 0.00 0.00 60.37 60.26 1j7s h HIS 63 Cb 1.10 -0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 28.14 1j7s h HIS 63 CO 0.06 1.01 0.42 0.78 -0.00 0.00 0.00 177.93 180.21 1j7s h GLY 64 N 0.98 1.09 1.16 5.26 0.00 -0.97 -0.77 103.07 109.82 1j7s h GLY 64 Ca 0.18 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1j7s h GLY 64 CO 0.03 0.19 0.20 1.70 0.00 0.00 0.00 176.54 178.65 1j7s h LYS 65 N 0.78 1.05 -0.26 4.80 3.64 -1.28 -1.51 116.57 123.79 1j7s h LYS 65 Ca 0.33 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1j7s h LYS 65 Cb 0.19 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1j7s h LYS 65 CO -0.18 0.91 0.15 -0.22 -2.27 0.00 0.00 179.45 177.83 1j7s h LYS 66 N 1.01 0.30 0.19 1.90 3.64 -1.06 -0.30 116.57 122.25 1j7s h LYS 66 Ca 0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1j7s h LYS 66 Cb 0.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1j7s h LYS 66 CO -0.01 0.20 -0.09 0.28 -2.27 0.00 0.00 179.45 177.56 1j7s h VAL 67 N 0.31 0.87 0.00 2.00 2.07 -0.89 -2.46 116.25 118.15 1j7s h VAL 67 Ca 0.10 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1j7s h VAL 67 Cb -0.00 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1j7s h VAL 67 CO -0.05 0.07 -0.24 -0.07 0.02 0.00 0.00 177.57 177.30 1j7s h LEU 68 N -0.39 0.00 0.11 2.57 3.38 -1.31 -1.10 115.31 118.57 1j7s h LEU 68 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1j7s h LEU 68 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1j7s h LEU 68 CO 0.04 0.24 -0.05 1.23 0.09 0.00 0.00 178.44 179.99 1j7s h GLY 69 N 1.47 -0.15 1.91 0.83 0.00 -0.77 0.39 103.07 106.75 1j7s h GLY 69 Ca -0.00 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1j7s h GLY 69 CO 0.03 -0.06 -0.35 0.00 0.00 0.00 0.00 176.54 176.17 1j7s h ALA 70 N 0.73 1.32 -0.39 3.60 0.00 -1.24 -2.21 119.26 121.07 1j7s h ALA 70 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1j7s h ALA 70 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j7s h ALA 70 CO 0.02 0.49 0.19 0.35 0.00 0.00 0.00 179.25 180.30 1j7s h PHE 71 N 0.10 0.57 -0.88 0.00 3.57 -0.83 -2.46 116.94 116.99 1j7s h PHE 71 Ca 0.01 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1j7s h PHE 71 Cb 0.66 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 1j7s h PHE 71 CO 0.00 0.48 0.55 1.03 -2.23 0.00 0.00 178.31 178.14 1j7s h SER 72 N 0.50 0.86 0.18 0.41 0.87 0.24 -1.16 113.55 115.44 1j7s h SER 72 Ca 0.13 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1j7s h SER 72 Cb 0.12 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1j7s h SER 72 CO -0.02 0.54 -0.16 -0.78 -0.53 0.00 0.00 176.83 175.89 1j7s h ASP 73 N 0.99 0.00 0.90 6.23 1.82 -1.29 -0.81 116.42 124.27 1j7s h ASP 73 Ca 0.39 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.97 1j7s h ASP 73 Cb 0.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1j7s h ASP 73 CO -0.18 0.16 -0.27 1.23 -1.61 0.00 0.00 179.24 178.56 1j7s h GLY 74 N 0.52 0.00 2.00 -0.78 0.00 -0.73 -2.96 103.07 101.12 1j7s h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j7s h GLY 74 CO 0.02 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.97 1j7s h LEU 75 N 0.00 0.00 0.00 3.11 4.07 -0.89 -1.89 115.31 119.71 1j7s h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1j7s h LEU 75 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1j7s h LEU 75 CO 0.04 0.00 -0.17 0.00 -1.08 0.00 0.00 178.44 177.23 1j7s n ALA 76 N -2.02 2.56 -2.54 1.53 0.00 -1.12 -4.00 120.51 114.93 1j7s n ALA 76 Ca 0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1j7s n ALA 76 Cb 0.30 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.40 1j7s n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j7s n HIS 77 N -1.89 2.11 0.30 0.00 8.25 -0.72 -4.90 115.22 118.38 1j7s n HIS 77 Ca 0.06 -2.68 0.18 0.00 -0.26 0.00 0.00 57.72 55.02 1j7s n HIS 77 Cb 0.39 -0.25 1.02 0.00 1.12 0.00 0.00 29.99 32.26 1j7s n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j7s h LEU 78 N 2.67 0.00 -0.21 2.41 4.07 -1.67 -0.90 115.31 121.68 1j7s h LEU 78 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1j7s h LEU 78 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1j7s h LEU 78 CO 0.59 0.00 -0.10 -0.90 -1.08 0.00 0.00 178.44 176.95 1j7s n ASP 79 N -3.51 0.43 -2.92 -0.43 5.75 -1.26 -0.58 116.55 114.02 1j7s n ASP 79 Ca -0.02 -0.56 -0.13 0.00 -0.01 0.00 0.00 54.79 54.07 1j7s n ASP 79 Cb 0.12 -0.09 0.04 0.00 -1.03 0.00 0.00 41.12 40.16 1j7s n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1j7s n ASN 80 N -0.97 -1.09 -0.15 -1.12 5.15 -0.35 -4.17 115.26 112.55 1j7s n ASN 80 Ca 0.15 -3.38 -0.09 0.00 -0.60 0.00 0.00 54.58 50.65 1j7s n ASN 80 Cb 0.27 0.87 -0.01 0.00 -0.53 0.00 0.00 39.78 40.39 1j7s n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j7s h LEU 81 N 3.10 0.64 -0.55 1.20 3.38 -1.75 -0.34 115.31 120.99 1j7s h LEU 81 Ca -0.02 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1j7s h LEU 81 Cb 1.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1j7s h LEU 81 CO 0.29 0.70 0.30 0.11 0.09 0.00 0.00 178.44 179.93 1j7s h LYS 82 N 0.55 0.56 -0.41 1.13 1.57 -1.91 -1.23 116.57 116.83 1j7s h LYS 82 Ca 0.13 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 1j7s h LYS 82 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1j7s h LYS 82 CO 0.00 0.37 -0.33 0.78 -0.57 0.00 0.00 179.45 179.70 1j7s h GLY 83 N 0.58 1.02 1.05 3.86 0.00 -1.94 -2.65 103.07 104.99 1j7s h GLY 83 Ca 0.24 -0.99 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 1j7s h GLY 83 CO -0.14 0.90 0.04 -0.84 0.00 0.00 0.00 176.54 176.50 1j7s h THR 84 N 0.78 1.26 -0.67 4.70 2.02 -0.69 -3.24 112.91 117.07 1j7s h THR 84 Ca 0.08 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1j7s h THR 84 Cb 0.92 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1j7s h THR 84 CO 0.09 0.39 0.00 0.49 0.37 0.00 0.00 175.52 176.86 1j7s n PHE 85 N -4.25 0.95 -0.02 3.16 3.72 -0.50 -4.65 117.46 115.86 1j7s n PHE 85 Ca 0.03 -0.46 -0.09 0.00 -0.05 0.00 0.00 57.45 56.88 1j7s n PHE 85 Cb 0.31 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 1j7s n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j7s h ALA 86 N 4.23 0.04 -0.15 4.37 0.00 -1.50 0.31 119.26 126.56 1j7s h ALA 86 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j7s h ALA 86 Cb 0.94 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1j7s h ALA 86 CO 0.02 -0.54 0.09 1.15 0.00 0.00 0.00 179.25 179.97 1j7s h THR 87 N -0.09 1.08 0.00 0.00 2.02 -1.85 -2.23 112.91 111.83 1j7s h THR 87 Ca 0.10 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1j7s h THR 87 Cb 0.24 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1j7s h THR 87 CO -0.23 0.07 -0.34 -0.07 0.37 0.00 0.00 175.52 175.32 1j7s h LEU 88 N 0.16 0.00 -0.37 2.58 3.38 -1.79 -2.42 115.31 116.85 1j7s h LEU 88 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1j7s h LEU 88 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1j7s h LEU 88 CO -0.01 0.34 0.06 -1.28 0.09 0.00 0.00 178.44 177.64 1j7s h SER 89 N 0.00 0.59 -0.61 -0.43 0.87 -0.01 -0.85 113.55 113.11 1j7s h SER 89 Ca -0.00 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 1j7s h SER 89 Cb 0.72 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1j7s h SER 89 CO 0.04 0.70 0.12 -0.33 -0.53 0.00 0.00 176.83 176.84 1j7s h GLU 90 N 0.45 1.00 -0.37 2.24 5.08 -1.31 -1.93 114.58 119.73 1j7s h GLU 90 Ca 0.11 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1j7s h GLU 90 Cb 0.36 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1j7s h GLU 90 CO 0.01 0.92 0.20 1.25 -1.00 0.00 0.00 179.01 180.39 1j7s h LEU 91 N 0.91 0.46 -1.29 1.33 5.85 -1.20 0.42 115.31 121.79 1j7s h LEU 91 Ca 0.19 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1j7s h LEU 91 Cb 0.39 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1j7s h LEU 91 CO 0.01 0.42 -0.08 0.45 -0.34 0.00 0.00 178.44 178.89 1j7s h HIS 92 N 0.47 0.40 0.06 1.25 3.86 -0.92 -0.97 115.15 119.30 1j7s h HIS 92 Ca 0.13 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1j7s h HIS 92 Cb 0.06 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1j7s h HIS 92 CO -0.03 0.47 -0.03 0.00 0.86 0.00 0.00 177.93 179.20 1j7s h ASP 94 N -1.02 0.20 0.00 0.00 3.32 -0.97 -3.11 116.42 114.83 1j7s h ASP 94 Ca -0.01 -0.19 -0.32 0.00 0.02 0.00 0.00 57.03 56.54 1j7s h ASP 94 Cb 0.08 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1j7s h ASP 94 CO 0.01 1.07 -2.20 0.29 -1.72 0.00 0.00 179.24 176.70 1j7s n LYS 95 N -3.53 0.55 0.10 3.56 4.76 -0.72 -4.67 118.16 118.20 1j7s n LYS 95 Ca -0.03 0.12 0.10 0.00 -2.87 0.00 0.00 58.31 55.62 1j7s n LYS 95 Cb 0.90 -1.42 -0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1j7s n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1j7s h LEU 96 N 0.00 0.00 -1.25 -0.35 3.38 -1.26 -3.49 115.31 112.34 1j7s h LEU 96 Ca -0.47 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.09 1j7s h LEU 96 Cb 1.73 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.56 1j7s h LEU 96 CO -0.07 0.08 -0.75 1.41 0.09 0.00 0.00 178.44 179.20 1j7s n HIS 97 N -2.73 -2.36 -3.18 1.13 8.25 -0.49 -4.95 115.22 110.88 1j7s n HIS 97 Ca -0.01 0.93 -0.43 0.00 -0.26 0.00 0.00 57.72 57.95 1j7s n HIS 97 Cb 0.59 -4.58 -0.07 0.00 1.12 0.00 0.00 29.99 27.05 1j7s n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j7s s VAL 98 N -3.40 4.91 -0.34 1.59 1.01 -0.69 -5.03 120.40 118.45 1j7s s VAL 98 Ca 0.37 -0.15 -0.44 0.00 0.00 0.00 0.00 61.98 61.76 1j7s s VAL 98 Cb -0.18 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 31.84 1j7s s VAL 98 CO 0.78 -0.60 1.55 -0.67 0.00 0.00 0.00 175.10 176.16 1j7s n ASP 99 N 6.06 1.37 0.30 3.32 -0.08 -1.26 -4.78 116.55 121.48 1j7s n ASP 99 Ca -0.04 1.15 0.18 0.00 -1.51 0.00 0.00 54.79 54.57 1j7s n ASP 99 Cb 0.47 -0.97 1.01 0.00 2.34 0.00 0.00 41.12 43.97 1j7s n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j7s h PRO 100 N 5.27 0.00 -0.67 -0.67 0.11 -1.97 -2.07 132.00 132.00 1j7s h PRO 100 Ca -0.46 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.81 1j7s h PRO 100 Cb 1.36 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.44 1j7s h PRO 100 CO 0.92 0.00 0.46 1.49 -0.21 0.00 0.00 178.00 180.66 1j7s h GLU 101 N 0.00 0.21 0.00 1.05 4.57 -1.99 -0.01 114.58 118.42 1j7s h GLU 101 Ca 0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1j7s h GLU 101 Cb 0.11 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1j7s h GLU 101 CO -0.00 0.14 -0.11 -0.91 -1.18 0.00 0.00 179.01 176.95 1j7s h ASN 102 N 0.22 0.00 -0.67 1.04 4.21 -1.74 -2.36 115.58 116.28 1j7s h ASN 102 Ca 0.33 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.81 1j7s h ASN 102 Cb 0.98 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.14 1j7s h ASN 102 CO -0.06 0.11 0.31 -0.26 -1.29 0.00 0.00 177.43 176.23 1j7s h PHE 103 N 0.00 1.00 -0.23 1.19 0.04 -1.18 -1.80 116.94 115.96 1j7s h PHE 103 Ca -0.00 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 1j7s h PHE 103 Cb 0.20 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 1j7s h PHE 103 CO 0.00 0.75 -0.17 0.00 -0.60 0.00 0.00 178.31 178.28 1j7s h ARG 104 N 0.99 0.53 -0.39 1.51 3.08 -1.46 -1.52 114.38 117.12 1j7s h ARG 104 Ca 0.24 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1j7s h ARG 104 Cb 0.14 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1j7s h ARG 104 CO -0.03 0.83 0.23 -0.07 -1.07 0.00 0.00 179.97 179.86 1j7s h LEU 105 N 0.23 0.38 -0.69 3.04 3.38 -1.32 -1.71 115.31 118.62 1j7s h LEU 105 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1j7s h LEU 105 Cb 0.71 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1j7s h LEU 105 CO 0.05 0.27 0.37 0.25 0.09 0.00 0.00 178.44 179.47 1j7s h LEU 106 N 0.47 0.87 -0.84 1.67 5.85 -1.32 -1.72 115.31 120.29 1j7s h LEU 106 Ca 0.15 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1j7s h LEU 106 Cb -0.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1j7s h LEU 106 CO -0.07 0.73 0.54 1.23 -0.34 0.00 0.00 178.44 180.52 1j7s h GLY 107 N 0.95 1.24 1.48 3.75 0.00 -0.99 0.97 103.07 110.48 1j7s h GLY 107 Ca 0.24 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 1j7s h GLY 107 CO -0.04 0.32 -0.74 3.43 0.00 0.00 0.00 176.54 179.51 1j7s h ASN 108 N 1.02 0.60 -0.55 0.19 2.35 -0.76 -2.72 115.58 115.71 1j7s h ASN 108 Ca 0.35 -0.40 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1j7s h ASN 108 Cb 0.07 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1j7s h ASN 108 CO -0.14 1.15 0.09 0.58 -1.65 0.00 0.00 177.43 177.46 1j7s h VAL 109 N 0.34 1.25 -0.94 2.81 2.07 -1.11 -2.47 116.25 118.21 1j7s h VAL 109 Ca -0.04 -0.96 0.11 0.00 0.82 0.00 0.00 66.70 66.63 1j7s h VAL 109 Cb 1.33 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 1j7s h VAL 109 CO 0.13 0.35 0.60 0.25 0.02 0.00 0.00 177.57 178.92 1j7s h LEU 110 N 0.80 0.84 -0.49 2.57 5.85 -0.71 -1.24 115.31 122.94 1j7s h LEU 110 Ca 0.17 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1j7s h LEU 110 Cb 0.41 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1j7s h LEU 110 CO 0.01 0.48 -0.00 0.58 -0.34 0.00 0.00 178.44 179.16 1j7s h VAL 111 N 0.92 1.26 -0.94 1.05 2.07 -1.23 -1.25 116.25 118.13 1j7s h VAL 111 Ca 0.45 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1j7s h VAL 111 Cb 0.46 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1j7s h VAL 111 CO -0.21 0.38 0.62 0.00 0.02 0.00 0.00 177.57 178.38 1j7s h VAL 113 N 1.21 1.30 -0.35 0.00 2.07 -0.86 -1.82 116.25 117.79 1j7s h VAL 113 Ca 0.37 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1j7s h VAL 113 Cb -0.03 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1j7s h VAL 113 CO -0.11 0.53 0.15 -0.07 0.02 0.00 0.00 177.57 178.10 1j7s h LEU 114 N 0.49 0.47 -0.70 2.57 3.38 -1.10 0.23 115.31 120.65 1j7s h LEU 114 Ca 0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1j7s h LEU 114 Cb 1.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1j7s h LEU 114 CO 0.11 0.49 0.26 0.00 0.09 0.00 0.00 178.44 179.38 1j7s h ALA 115 N 1.00 0.92 -0.55 1.53 0.00 -1.24 0.17 119.26 121.09 1j7s h ALA 115 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1j7s h ALA 115 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1j7s h ALA 115 CO -0.01 0.56 0.10 1.25 0.00 0.00 0.00 179.25 181.15 1j7s h HIS 116 N 1.01 0.96 -0.14 0.00 -0.00 -1.04 -0.99 115.15 114.95 1j7s h HIS 116 Ca 0.23 -0.13 -0.11 0.00 -0.00 0.00 0.00 60.37 60.36 1j7s h HIS 116 Cb 0.24 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1j7s h HIS 116 CO 0.02 0.84 -0.35 1.25 -0.00 0.00 0.00 177.93 179.69 1j7s h HIS 117 N 0.79 0.62 -0.00 5.26 6.17 -0.59 -3.36 115.15 124.05 1j7s h HIS 117 Ca 0.17 -0.24 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1j7s h HIS 117 Cb 0.39 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.21 1j7s h HIS 117 CO 0.03 0.97 -0.68 1.19 0.71 0.00 0.00 177.93 180.15 1j7s n PHE 118 N -4.34 0.00 -4.15 5.26 3.72 0.57 -5.06 117.46 113.46 1j7s n PHE 118 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1j7s n PHE 118 Cb 0.51 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1j7s n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j7s n GLY 119 N 1.50 3.05 0.08 1.37 0.00 -0.38 -2.88 105.19 107.93 1j7s n GLY 119 Ca 0.05 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1j7s n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1j7s n LYS 120 N 13.95 0.09 0.25 1.61 -0.00 -1.26 -0.94 118.16 131.86 1j7s n LYS 120 Ca 0.00 0.48 0.13 0.00 -0.00 0.00 0.00 58.31 58.91 1j7s n LYS 120 Cb 0.00 -1.74 0.59 0.00 -0.00 0.00 0.00 35.03 33.88 1j7s n LYS 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1j7s h GLU 121 N 0.00 0.00 -4.39 -1.58 4.81 -1.94 -3.31 114.58 108.17 1j7s h GLU 121 Ca 0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1j7s h GLU 121 Cb 0.14 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.39 1j7s h GLU 121 CO 0.00 0.14 2.02 0.34 -0.73 0.00 0.00 179.01 180.78 1j7s n PHE 122 N -3.33 4.00 -1.55 0.92 7.35 -0.11 -4.95 117.46 119.79 1j7s n PHE 122 Ca -0.00 -3.02 -0.30 0.00 -0.76 0.00 0.00 57.45 53.37 1j7s n PHE 122 Cb 0.35 -2.24 0.07 0.00 0.35 0.00 0.00 39.48 38.01 1j7s n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j7s s THR 123 N 1.88 3.55 0.19 -2.13 -4.23 -1.25 -4.74 115.64 108.91 1j7s s THR 123 Ca 0.44 0.50 -0.22 0.00 -1.18 0.00 0.00 61.69 61.23 1j7s s THR 123 Cb 0.05 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.76 1j7s s THR 123 CO 0.00 -0.66 1.46 -2.65 -0.54 0.00 0.00 174.62 172.24 1j7s n PRO 124 N -3.29 -0.31 -0.30 3.99 -0.02 -1.26 -0.94 135.00 132.88 1j7s n PRO 124 Ca 0.07 1.45 -0.02 0.00 -2.02 0.00 0.00 63.50 62.97 1j7s n PRO 124 Cb 0.55 -2.14 0.10 0.00 -0.02 0.00 0.00 33.50 31.99 1j7s n PRO 124 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j7s h PRO 125 N 0.00 1.01 -0.28 0.52 0.11 -1.99 -0.82 132.00 130.56 1j7s h PRO 125 Ca 0.25 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 1j7s h PRO 125 Cb 0.49 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1j7s h PRO 125 CO -0.92 0.67 -0.40 0.28 -0.21 0.00 0.00 178.00 177.42 1j7s h VAL 126 N 1.04 1.29 -0.92 3.15 2.07 -1.51 -2.41 116.25 118.96 1j7s h VAL 126 Ca 0.32 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1j7s h VAL 126 Cb -0.02 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1j7s h VAL 126 CO -0.10 0.50 0.52 -0.61 0.02 0.00 0.00 177.57 177.90 1j7s h GLN 127 N 0.54 1.28 -0.60 1.57 4.15 -0.65 -2.00 115.11 119.40 1j7s h GLN 127 Ca 0.05 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.37 1j7s h GLN 127 Cb 0.92 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 1j7s h GLN 127 CO 0.08 0.92 0.35 0.00 -1.93 0.00 0.00 178.83 178.25 1j7s h ALA 128 N 1.29 0.79 -0.50 3.38 0.00 -0.88 0.38 119.26 123.71 1j7s h ALA 128 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1j7s h ALA 128 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1j7s h ALA 128 CO -0.06 0.05 -0.07 0.00 0.00 0.00 0.00 179.25 179.17 1j7s h ALA 129 N 1.29 0.69 -0.07 0.00 0.00 -1.19 -2.42 119.26 117.56 1j7s h ALA 129 Ca 0.26 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1j7s h ALA 129 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j7s h ALA 129 CO -0.14 0.56 -0.42 1.88 0.00 0.00 0.00 179.25 181.14 1j7s h TYR 130 N 0.80 0.18 -0.65 0.00 -1.99 -0.53 -2.21 116.97 112.57 1j7s h TYR 130 Ca 0.13 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 1j7s h TYR 130 Cb 0.62 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.28 1j7s h TYR 130 CO 0.05 0.55 0.19 1.96 -0.00 0.00 0.00 178.16 180.90 1j7s h GLN 131 N 0.13 1.00 -0.66 4.88 1.08 -0.10 0.36 115.11 121.79 1j7s h GLN 131 Ca 0.01 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 56.93 1j7s h GLN 131 Cb 0.80 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 1j7s h GLN 131 CO 0.06 0.87 0.13 0.87 -0.95 0.00 0.00 178.83 179.82 1j7s h LYS 132 N 0.96 1.08 -0.20 1.46 1.57 -1.13 -2.47 116.57 117.85 1j7s h LYS 132 Ca 0.21 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1j7s h LYS 132 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1j7s h LYS 132 CO -0.01 0.98 -0.04 0.28 -0.57 0.00 0.00 179.45 180.09 1j7s h VAL 133 N 1.00 1.28 -0.49 0.50 2.07 -0.79 -0.62 116.25 119.20 1j7s h VAL 133 Ca 0.20 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1j7s h VAL 133 Cb 0.40 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1j7s h VAL 133 CO 0.01 0.30 -0.05 -0.37 0.02 0.00 0.00 177.57 177.48 1j7s h VAL 134 N 0.10 1.26 -0.76 2.57 -1.51 -0.95 -0.16 116.25 116.80 1j7s h VAL 134 Ca 0.05 -1.12 -0.05 0.00 -1.23 0.00 0.00 66.70 64.36 1j7s h VAL 134 Cb 0.47 0.93 -0.03 0.00 -2.13 0.00 0.00 31.29 30.53 1j7s h VAL 134 CO 0.02 0.39 0.29 0.00 -1.23 0.00 0.00 177.57 177.04 1j7s h ALA 135 N 1.16 0.99 -0.45 5.19 0.00 -1.45 -0.67 119.26 124.02 1j7s h ALA 135 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1j7s h ALA 135 Cb 0.54 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j7s h ALA 135 CO 0.03 0.62 0.19 0.78 0.00 0.00 0.00 179.25 180.87 1j7s h GLY 136 N 1.10 0.72 1.00 0.00 0.00 -0.35 -1.35 103.07 104.19 1j7s h GLY 136 Ca 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1j7s h GLY 136 CO -0.02 0.36 0.36 -2.08 0.00 0.00 0.00 176.54 175.17 1j7s h VAL 137 N 0.59 1.18 -0.76 4.60 2.07 -0.93 -0.72 116.25 122.28 1j7s h VAL 137 Ca 0.15 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1j7s h VAL 137 Cb 0.18 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1j7s h VAL 137 CO -0.01 0.18 0.41 0.00 0.02 0.00 0.00 177.57 178.16 1j7s h ALA 138 N 1.18 0.98 -0.40 1.67 0.00 -0.96 -1.00 119.26 120.73 1j7s h ALA 138 Ca 0.22 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1j7s h ALA 138 Cb -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1j7s h ALA 138 CO -0.04 0.50 0.18 -0.91 0.00 0.00 0.00 179.25 178.99 1j7s h ASN 139 N 1.06 0.25 -0.54 0.00 2.35 -0.93 -1.90 115.58 115.86 1j7s h ASN 139 Ca 0.27 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1j7s h ASN 139 Cb 0.06 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1j7s h ASN 139 CO -0.04 0.18 0.09 0.00 -1.65 0.00 0.00 177.43 176.02 1j7s h ALA 140 N 1.23 1.06 -0.01 -0.83 0.00 -0.63 -2.67 119.26 117.41 1j7s h ALA 140 Ca 0.17 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1j7s h ALA 140 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1j7s h ALA 140 CO -0.14 0.61 -0.62 -0.07 0.00 0.00 0.00 179.25 179.03 1j7s h LEU 141 N 0.89 0.04 -0.76 0.00 3.38 -0.74 -2.79 115.31 115.33 1j7s h LEU 141 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1j7s h LEU 141 Cb 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1j7s h LEU 141 CO 0.01 0.65 -0.10 0.00 0.09 0.00 0.00 178.44 179.09 1j7s n ALA 142 N -2.43 2.76 -0.28 1.53 0.00 -0.75 -4.43 120.51 116.91 1j7s n ALA 142 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 1j7s n ALA 142 Cb 0.62 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.96 1j7s n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j7s h HIS 143 N 1.85 1.21 -0.36 0.00 6.17 -1.19 -2.80 115.15 120.03 1j7s h HIS 143 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1j7s h HIS 143 Cb 0.49 -0.36 0.00 0.00 2.52 0.00 0.00 27.41 30.06 1j7s h HIS 143 CO 0.00 0.93 0.00 1.63 0.71 0.00 0.00 177.93 181.20 1j7s n LYS 144 N -4.27 1.85 -2.07 5.26 4.76 -1.26 -4.93 118.16 117.51 1j7s n LYS 144 Ca 0.07 -1.30 -0.37 0.00 -2.87 0.00 0.00 58.31 53.84 1j7s n LYS 144 Cb 0.21 -1.29 0.02 0.00 -1.84 0.00 0.00 35.03 32.13 1j7s n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j7s s TYR 145 N -1.52 2.56 0.00 2.13 1.51 -1.06 -4.76 117.35 116.20 1j7s s TYR 145 Ca 0.24 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.79 1j7s s TYR 145 Cb 0.13 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.47 1j7s s TYR 145 CO 0.16 -2.08 0.00 -2.39 -1.11 0.00 0.00 175.55 170.14