#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 2.92 0.01 2.03 5.04 -1.26 -4.66 115.29 119.37 1j7s s HIS 2 Ca 0.00 0.42 0.07 0.00 -1.54 0.00 0.00 55.06 54.00 1j7s s HIS 2 Cb 0.00 -3.99 -0.03 0.00 0.04 0.00 0.00 32.58 28.60 1j7s s HIS 2 CO 0.00 -1.10 -0.20 -0.51 -2.34 0.00 0.00 174.74 170.58 1j7s s LEU 3 N 3.79 2.44 0.88 8.88 1.43 -1.26 -5.12 118.68 129.72 1j7s s LEU 3 Ca 0.38 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1j7s s LEU 3 Cb -0.10 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.80 1j7s s LEU 3 CO 0.26 0.29 1.09 0.42 0.23 0.00 0.00 176.35 178.65 1j7s s THR 4 N -0.80 2.68 0.44 5.49 -4.23 -1.26 -4.78 115.64 113.18 1j7s s THR 4 Ca 0.13 0.22 0.10 0.00 -1.18 0.00 0.00 61.69 60.95 1j7s s THR 4 Cb -0.10 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 71.25 1j7s s THR 4 CO 0.02 -0.29 2.09 -0.65 -0.54 0.00 0.00 174.62 175.25 1j7s h PRO 5 N -1.48 0.38 -0.35 3.99 0.11 -1.99 -0.93 132.00 131.73 1j7s h PRO 5 Ca -0.49 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1j7s h PRO 5 Cb 1.28 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1j7s h PRO 5 CO 0.56 0.25 -0.14 0.93 -0.21 0.00 0.00 178.00 179.39 1j7s h GLU 6 N 0.40 0.72 -0.33 1.05 3.07 -1.99 -1.98 114.58 115.51 1j7s h GLU 6 Ca 0.11 -0.30 -0.05 0.00 -0.50 0.00 0.00 59.36 58.62 1j7s h GLU 6 Cb -0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1j7s h GLU 6 CO -0.02 0.90 0.02 0.93 -1.40 0.00 0.00 179.01 179.43 1j7s h GLU 7 N 0.50 0.58 -0.27 2.33 5.08 -1.55 -1.15 114.58 120.09 1j7s h GLU 7 Ca 0.08 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1j7s h GLU 7 Cb 0.67 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1j7s h GLU 7 CO 0.05 0.69 0.14 -0.22 -1.00 0.00 0.00 179.01 178.66 1j7s h LYS 8 N 0.39 0.28 -0.51 2.33 3.64 -1.29 0.51 116.57 121.92 1j7s h LYS 8 Ca 0.10 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1j7s h LYS 8 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1j7s h LYS 8 CO 0.01 0.19 0.15 0.77 -2.27 0.00 0.00 179.45 178.30 1j7s h SER 9 N 0.29 0.70 -0.36 4.20 0.02 -1.27 0.10 113.55 117.23 1j7s h SER 9 Ca 0.11 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1j7s h SER 9 Cb 0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1j7s h SER 9 CO -0.07 0.68 -0.01 0.00 -1.14 0.00 0.00 176.83 176.28 1j7s h ALA 10 N 1.42 0.49 -0.12 3.77 0.00 -0.37 -1.53 119.26 122.92 1j7s h ALA 10 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1j7s h ALA 10 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1j7s h ALA 10 CO -0.01 0.27 0.05 0.28 0.00 0.00 0.00 179.25 179.85 1j7s h VAL 11 N 0.46 1.14 -0.36 0.00 2.07 -0.43 -2.93 116.25 116.20 1j7s h VAL 11 Ca 0.10 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 1j7s h VAL 11 Cb 0.48 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1j7s h VAL 11 CO 0.02 0.12 -0.41 0.74 0.02 0.00 0.00 177.57 178.07 1j7s h THR 12 N 0.04 1.28 -0.53 2.57 2.02 -0.93 -2.43 112.91 114.93 1j7s h THR 12 Ca 0.04 -1.59 -0.08 0.00 0.77 0.00 0.00 66.41 65.55 1j7s h THR 12 Cb 0.15 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1j7s h THR 12 CO -0.00 0.53 0.02 0.00 0.37 0.00 0.00 175.52 176.43 1j7s h ALA 13 N 0.81 0.71 -0.13 6.16 0.00 -1.25 -2.59 119.26 122.97 1j7s h ALA 13 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j7s h ALA 13 Cb 0.99 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1j7s h ALA 13 CO 0.10 0.51 0.07 1.25 0.00 0.00 0.00 179.25 181.18 1j7s h LEU 14 N 0.80 0.16 -2.14 0.00 6.46 -1.47 -3.02 115.31 116.10 1j7s h LEU 14 Ca 0.15 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1j7s h LEU 14 Cb 0.50 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1j7s h LEU 14 CO 0.02 0.17 -0.01 -0.25 -0.62 0.00 0.00 178.44 177.75 1j7s h TRP 15 N 0.13 0.00 0.00 1.25 2.91 -1.24 -0.11 115.95 118.89 1j7s h TRP 15 Ca 0.05 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1j7s h TRP 15 Cb 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 1j7s h TRP 15 CO -0.05 0.01 0.00 0.78 -1.03 0.00 0.00 178.44 178.15 1j7s h GLY 16 N 1.09 0.00 0.21 2.65 0.00 -1.33 -2.17 103.07 103.52 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 0.00 0.00 -0.52 0.28 0.00 0.00 0.00 176.54 176.30 1j7s n LYS 17 N -2.40 0.47 -2.74 4.80 5.02 -0.05 -4.96 118.16 118.30 1j7s n LYS 17 Ca 0.01 -0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 55.56 1j7s n LYS 17 Cb 0.21 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.75 4.38 -0.61 -0.18 1.01 -0.82 -5.00 120.40 116.42 1j7s s VAL 18 Ca 0.16 2.07 -0.21 0.00 0.00 0.00 0.00 61.98 64.00 1j7s s VAL 18 Cb 0.18 -4.32 0.08 0.00 0.00 0.00 0.00 36.38 32.31 1j7s s VAL 18 CO 0.66 0.37 0.85 0.21 0.00 0.00 0.00 175.10 177.19 1j7s s ASN 19 N -0.35 6.20 0.28 3.32 3.84 -1.26 -4.93 114.94 122.04 1j7s s ASN 19 Ca 0.45 -1.04 0.00 0.00 0.21 0.00 0.00 52.86 52.48 1j7s s ASN 19 Cb -0.24 -2.37 0.50 0.00 -0.55 0.00 0.00 41.25 38.59 1j7s s ASN 19 CO 0.30 -1.27 1.86 0.58 -2.79 0.00 0.00 177.10 175.79 1j7s h VAL 20 N 5.95 1.00 -0.32 -5.21 2.07 -1.95 -1.76 116.25 116.04 1j7s h VAL 20 Ca -0.29 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1j7s h VAL 20 Cb 1.08 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1j7s h VAL 20 CO 1.13 0.19 -0.19 0.44 0.02 0.00 0.00 177.57 179.17 1j7s h ASP 21 N 1.06 0.71 0.21 0.57 3.32 -1.91 -1.60 116.42 118.79 1j7s h ASP 21 Ca 0.46 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1j7s h ASP 21 Cb 0.34 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1j7s h ASP 21 CO -0.21 0.98 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.10 1j7s h GLU 22 N 0.44 -0.27 -0.09 3.56 4.81 -1.92 -2.04 114.58 119.07 1j7s h GLU 22 Ca 0.07 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1j7s h GLU 22 Cb 0.73 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1j7s h GLU 22 CO 0.05 -0.16 -0.48 0.28 -0.73 0.00 0.00 179.01 177.98 1j7s h VAL 23 N -0.32 1.34 -0.20 0.32 2.07 -1.38 -2.19 116.25 115.89 1j7s h VAL 23 Ca -0.03 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1j7s h VAL 23 Cb 0.25 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1j7s h VAL 23 CO 0.05 0.50 0.07 1.23 0.02 0.00 0.00 177.57 179.44 1j7s h GLY 24 N 1.32 0.32 1.60 2.17 0.00 -1.11 0.41 103.07 107.79 1j7s h GLY 24 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1j7s h GLY 24 CO 0.07 0.17 -0.13 -1.33 0.00 0.00 0.00 176.54 175.32 1j7s h GLY 25 N 0.15 0.52 1.11 4.60 0.00 -1.33 -2.39 103.07 105.72 1j7s h GLY 25 Ca 0.06 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1j7s h GLY 25 CO -0.00 0.33 -0.40 -2.09 0.00 0.00 0.00 176.54 174.38 1j7s h GLU 26 N 0.45 0.89 -0.27 4.80 4.57 -1.15 -1.88 114.58 121.99 1j7s h GLU 26 Ca 0.08 -0.49 -0.11 0.00 -1.18 0.00 0.00 59.36 57.67 1j7s h GLU 26 Cb 0.49 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1j7s h GLU 26 CO 0.03 1.14 -0.25 0.00 -1.18 0.00 0.00 179.01 178.74 1j7s h ALA 27 N 0.75 0.40 -0.36 2.92 0.00 -0.79 -1.81 119.26 120.36 1j7s h ALA 27 Ca 0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1j7s h ALA 27 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1j7s h ALA 27 CO 0.10 0.38 -0.25 1.25 0.00 0.00 0.00 179.25 180.73 1j7s h LEU 28 N 0.39 0.85 -0.20 0.00 5.85 -1.50 -1.59 115.31 119.10 1j7s h LEU 28 Ca 0.05 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1j7s h LEU 28 Cb 0.81 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1j7s h LEU 28 CO 0.06 1.10 -0.07 1.23 -0.34 0.00 0.00 178.44 180.43 1j7s h GLY 29 N 0.60 0.12 2.00 3.75 0.00 -1.34 -1.50 103.07 106.70 1j7s h GLY 29 Ca 0.07 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 1j7s h GLY 29 CO 0.07 -0.09 -0.45 3.21 0.00 0.00 0.00 176.54 179.27 1j7s h ARG 30 N -0.03 0.00 -0.26 4.80 3.08 -1.28 -1.16 114.38 119.53 1j7s h ARG 30 Ca 0.10 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1j7s h ARG 30 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1j7s h ARG 30 CO -0.22 0.45 0.10 1.25 -1.07 0.00 0.00 179.97 180.48 1j7s h LEU 31 N 0.00 0.13 -1.20 3.04 5.85 -0.96 0.19 115.31 122.36 1j7s h LEU 31 Ca -0.00 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1j7s h LEU 31 Cb 0.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1j7s h LEU 31 CO 0.06 0.11 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.85 1j7s h LEU 32 N 0.23 0.00 0.05 2.25 4.07 -0.68 -2.16 115.31 119.07 1j7s h LEU 32 Ca 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1j7s h LEU 32 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1j7s h LEU 32 CO -0.10 0.35 -0.02 0.58 -1.08 0.00 0.00 178.44 178.16 1j7s h VAL 33 N 0.00 0.95 -0.04 1.22 2.07 -0.93 -3.32 116.25 116.21 1j7s h VAL 33 Ca -0.00 -1.57 -0.16 0.00 0.82 0.00 0.00 66.70 65.79 1j7s h VAL 33 Cb 0.74 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1j7s h VAL 33 CO 0.04 0.30 -0.70 0.58 0.02 0.00 0.00 177.57 177.82 1j7s h VAL 34 N -0.96 1.43 -2.71 2.57 2.07 -0.65 -3.37 116.25 114.62 1j7s h VAL 34 Ca -0.01 -2.21 -0.61 0.00 0.82 0.00 0.00 66.70 64.69 1j7s h VAL 34 Cb 0.55 2.17 -0.42 0.00 -1.52 0.00 0.00 31.29 32.07 1j7s h VAL 34 CO 0.01 0.65 -0.59 -1.22 0.02 0.00 0.00 177.57 176.44 1j7s n TYR 35 N -3.79 3.31 0.29 1.57 4.01 -0.81 -5.00 117.16 116.73 1j7s n TYR 35 Ca -0.03 -4.23 0.19 0.00 -0.16 0.00 0.00 57.90 53.67 1j7s n TYR 35 Cb 0.68 -0.58 0.96 0.00 -0.31 0.00 0.00 39.34 40.09 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 4.89 0.00 0.00 -0.72 0.13 -1.74 -1.61 132.00 132.95 1j7s h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1j7s h PRO 36 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1j7s h PRO 36 CO 0.76 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.64 1j7s h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -0.21 115.95 115.47 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.32 1j7s h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1j7s n THR 38 N -2.95 0.85 0.46 0.12 -2.24 -0.61 -2.24 114.28 107.68 1j7s n THR 38 Ca 0.00 0.21 0.10 0.00 -2.27 0.00 0.00 64.05 62.10 1j7s n THR 38 Cb 0.27 -0.94 0.43 0.00 -2.10 0.00 0.00 70.33 67.99 1j7s n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j7s n GLN 39 N -1.47 0.12 -0.30 -0.78 6.02 -0.09 -3.47 117.38 117.41 1j7s n GLN 39 Ca 0.04 0.34 0.34 0.00 -0.01 0.00 0.00 57.00 57.72 1j7s n GLN 39 Cb 0.18 -1.73 0.74 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.66 -0.65 114.38 111.08 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 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1j7s h ARG 40 CO 0.00 0.00 -0.45 0.74 0.10 0.00 0.00 179.97 180.36 1j7s h PHE 41 N 0.00 0.00 -0.26 4.08 0.04 -1.84 -3.38 116.94 115.58 1j7s h PHE 41 Ca 0.55 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.18 1j7s h PHE 41 Cb 2.24 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 40.30 1j7s h PHE 41 CO 0.00 0.00 -0.22 1.19 -0.60 0.00 0.00 178.31 178.68 1j7s n PHE 42 N -2.83 0.80 0.28 -0.55 3.72 -0.25 -4.71 117.46 113.91 1j7s n PHE 42 Ca 0.02 -1.60 0.15 0.00 -0.05 0.00 0.00 57.45 55.97 1j7s n PHE 42 Cb 0.53 -0.43 0.88 0.00 -0.94 0.00 0.00 39.48 39.52 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 1.02 0.00 -0.00 -1.08 5.08 -1.76 -0.83 114.58 117.01 1j7s h GLU 43 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1j7s h GLU 43 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1j7s h GLU 43 CO 0.29 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.17 1j7s n SER 44 N -3.90 0.16 0.01 1.42 3.41 -1.26 -4.02 113.62 109.44 1j7s n SER 44 Ca -0.02 -1.09 0.13 0.00 -0.26 0.00 0.00 58.87 57.63 1j7s n SER 44 Cb 0.12 -0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.86 0.13 0.00 7.33 3.01 -0.32 -5.04 117.46 121.71 1j7s n PHE 45 Ca 0.23 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1j7s n PHE 45 Cb 0.13 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 1.47 0.52 3.62 1.37 0.00 -1.26 -4.71 105.19 106.21 1j7s n GLY 46 Ca 0.06 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 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 6.50 -0.11 1.61 2.15 -1.26 -4.85 116.67 116.71 1j7s s ASP 47 Ca 0.00 1.29 0.16 0.00 0.43 0.00 0.00 52.55 54.43 1j7s s ASP 47 Cb 0.00 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.35 1j7s s ASP 47 CO 0.00 -1.21 1.14 0.18 -0.17 0.00 0.00 175.17 175.11 1j7s n LEU 48 N 8.15 2.38 -0.12 -1.34 4.77 -1.26 -4.29 117.00 125.29 1j7s n LEU 48 Ca 0.17 -2.94 -0.10 0.00 -0.03 0.00 0.00 56.01 53.11 1j7s n LEU 48 Cb 0.46 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1j7s n LEU 48 CO 0.65 0.68 0.88 0.77 -1.33 0.00 0.00 177.39 179.04 1j7s h SER 49 N 0.10 0.52 -3.07 -1.43 4.64 -1.91 -3.43 113.55 108.97 1j7s h SER 49 Ca 0.00 -0.20 -0.49 0.00 -0.47 0.00 0.00 61.79 60.64 1j7s h SER 49 Cb 0.95 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.77 1j7s h SER 49 CO 0.01 0.58 -0.61 0.42 -0.87 0.00 0.00 176.83 176.35 1j7s s THR 50 N -5.43 1.31 0.16 2.95 -4.23 -1.26 -5.03 115.64 104.11 1j7s s THR 50 Ca -0.13 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.22 1j7s s THR 50 Cb 0.09 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1j7s s THR 50 CO 0.75 -0.04 1.79 -0.65 -0.54 0.00 0.00 174.62 175.93 1j7s h PRO 51 N 2.10 0.63 -0.68 3.99 0.11 -1.99 -0.50 132.00 135.66 1j7s h PRO 51 Ca -0.41 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1j7s h PRO 51 Cb 1.24 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1j7s h PRO 51 CO 0.71 0.47 0.23 -0.44 -0.21 0.00 0.00 178.00 178.75 1j7s h ASP 52 N 0.62 0.98 -0.42 -2.05 3.32 -1.98 0.14 116.42 117.04 1j7s h ASP 52 Ca 0.17 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1j7s h ASP 52 Cb -0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1j7s h ASP 52 CO -0.03 0.92 0.02 0.00 -1.72 0.00 0.00 179.24 178.43 1j7s h ALA 53 N 1.10 1.12 0.04 3.45 0.00 -1.72 -0.47 119.26 122.78 1j7s h ALA 53 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j7s h ALA 53 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j7s h ALA 53 CO -0.01 0.57 -0.02 0.28 0.00 0.00 0.00 179.25 180.07 1j7s h VAL 54 N 0.75 1.10 -0.06 0.00 2.07 -0.48 -2.63 116.25 117.00 1j7s h VAL 54 Ca 0.15 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1j7s h VAL 54 Cb 0.42 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1j7s h VAL 54 CO 0.02 0.12 -0.16 0.24 0.02 0.00 0.00 177.57 177.80 1j7s h MET 55 N -0.25 0.10 -0.31 1.57 2.07 -0.83 -2.40 114.93 114.88 1j7s h MET 55 Ca -0.01 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1j7s h MET 55 Cb 0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1j7s h MET 55 CO 0.01 0.27 0.00 0.41 1.07 0.00 0.00 176.91 178.67 1j7s n GLY 56 N -0.94 1.13 3.66 8.32 0.00 -0.20 -4.91 105.19 112.25 1j7s n GLY 56 Ca -0.02 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.48 6.90 0.44 1.61 3.84 -0.90 -4.89 114.94 120.45 1j7s s ASN 57 Ca 0.36 1.60 0.10 0.00 0.21 0.00 0.00 52.86 55.13 1j7s s ASN 57 Cb 0.20 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.34 1j7s s ASN 57 CO 0.29 -0.81 2.08 -0.65 -2.79 0.00 0.00 177.10 175.22 1j7s h PRO 58 N 8.37 0.37 -0.01 0.43 0.11 -1.91 -1.54 132.00 137.81 1j7s h PRO 58 Ca -0.26 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.61 1j7s h PRO 58 Cb 1.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1j7s h PRO 58 CO 0.98 0.25 -0.88 0.87 -0.21 0.00 0.00 178.00 179.01 1j7s h LYS 59 N 0.38 0.36 -0.12 1.05 1.57 -1.90 -1.11 116.57 116.79 1j7s h LYS 59 Ca 0.10 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1j7s h LYS 59 Cb -0.02 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1j7s h LYS 59 CO -0.02 1.04 0.08 0.28 -0.57 0.00 0.00 179.45 180.26 1j7s h VAL 60 N 0.21 1.05 -0.34 0.50 2.07 -1.76 -0.68 116.25 117.30 1j7s h VAL 60 Ca -0.06 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1j7s h VAL 60 Cb 1.51 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1j7s h VAL 60 CO 0.15 0.05 -0.01 0.11 0.02 0.00 0.00 177.57 177.89 1j7s h LYS 61 N 0.15 0.53 -0.34 1.57 1.57 -1.14 -0.22 116.57 118.69 1j7s h LYS 61 Ca 0.05 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1j7s h LYS 61 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1j7s h LYS 61 CO -0.01 0.56 -0.32 0.00 -0.57 0.00 0.00 179.45 179.11 1j7s h ALA 62 N 1.49 0.50 -0.53 3.86 0.00 -0.99 -2.40 119.26 121.20 1j7s h ALA 62 Ca 0.11 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1j7s h ALA 62 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1j7s h ALA 62 CO 0.01 0.55 -0.10 1.25 0.00 0.00 0.00 179.25 180.96 1j7s h HIS 63 N 0.61 1.11 -0.39 0.00 -0.00 -0.80 -2.95 115.15 112.74 1j7s h HIS 63 Ca 0.06 -0.23 0.06 0.00 -0.00 0.00 0.00 60.37 60.26 1j7s h HIS 63 Cb 0.90 -0.28 -0.05 0.00 -0.00 0.00 0.00 27.41 27.98 1j7s h HIS 63 CO 0.07 1.03 0.06 0.78 -0.00 0.00 0.00 177.93 179.87 1j7s h GLY 64 N 0.95 0.44 0.56 5.26 0.00 -0.87 -0.60 103.07 108.80 1j7s h GLY 64 Ca 0.14 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.54 1j7s h GLY 64 CO 0.05 -0.05 0.36 0.50 0.00 0.00 0.00 176.54 177.39 1j7s h LYS 65 N 0.18 0.61 -0.00 4.80 1.57 -1.28 -1.49 116.57 120.95 1j7s h LYS 65 Ca 0.19 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1j7s h LYS 65 Cb 0.23 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1j7s h LYS 65 CO -0.26 0.40 0.00 -0.22 -0.57 0.00 0.00 179.45 178.80 1j7s h LYS 66 N 0.63 0.00 0.05 3.15 3.64 -1.33 -0.79 116.57 121.93 1j7s h LYS 66 Ca 0.33 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1j7s h LYS 66 Cb 0.29 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1j7s h LYS 66 CO -0.23 0.24 -0.05 0.28 -2.27 0.00 0.00 179.45 177.42 1j7s h VAL 67 N -0.24 0.87 0.00 2.00 2.07 -1.04 -2.53 116.25 117.39 1j7s h VAL 67 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1j7s h VAL 67 Cb 0.24 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1j7s h VAL 67 CO 0.00 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 177.06 1j7s h LEU 68 N -0.12 0.00 -0.62 2.57 3.38 -1.31 -1.60 115.31 117.61 1j7s h LEU 68 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1j7s h LEU 68 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1j7s h LEU 68 CO -0.02 0.46 -0.01 1.23 0.09 0.00 0.00 178.44 180.18 1j7s h GLY 69 N 1.52 1.15 1.07 0.83 0.00 -1.08 0.20 103.07 106.76 1j7s h GLY 69 Ca -0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 1j7s h GLY 69 CO 0.06 0.79 -0.05 0.00 0.00 0.00 0.00 176.54 177.34 1j7s h ALA 70 N 1.00 0.75 -0.20 3.60 0.00 -1.14 -1.63 119.26 121.64 1j7s h ALA 70 Ca 0.17 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1j7s h ALA 70 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1j7s h ALA 70 CO 0.03 0.62 0.04 0.35 0.00 0.00 0.00 179.25 180.30 1j7s h PHE 71 N 0.89 0.07 -0.60 0.00 3.04 -0.98 -2.29 116.94 117.07 1j7s h PHE 71 Ca 0.15 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.22 1j7s h PHE 71 Cb 0.61 -0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.03 1j7s h PHE 71 CO 0.04 0.03 0.14 1.03 -2.02 0.00 0.00 178.31 177.53 1j7s h SER 72 N 0.12 0.04 0.22 0.41 0.87 -0.27 -0.66 113.55 114.29 1j7s h SER 72 Ca 0.09 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1j7s h SER 72 Cb 0.08 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1j7s h SER 72 CO -0.11 0.03 -0.24 0.44 -0.53 0.00 0.00 176.83 176.41 1j7s h ASP 73 N 0.28 0.04 0.39 6.23 3.32 -1.12 -1.82 116.42 123.75 1j7s h ASP 73 Ca 0.31 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 1j7s h ASP 73 Cb 0.46 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1j7s h ASP 73 CO -0.39 0.29 -0.19 1.23 -1.72 0.00 0.00 179.24 178.47 1j7s h GLY 74 N 0.79 0.00 2.00 2.75 0.00 -0.54 -2.68 103.07 105.39 1j7s h GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1j7s h GLY 74 CO 0.03 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.98 1j7s h LEU 75 N 0.00 0.00 -0.05 3.11 4.07 -1.03 -1.35 115.31 120.06 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 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1j7s h LEU 75 CO 0.02 0.00 -0.28 0.00 -1.08 0.00 0.00 178.44 177.11 1j7s n ALA 76 N -1.99 3.03 -2.38 1.53 0.00 -1.01 -4.02 120.51 115.67 1j7s n ALA 76 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 1j7s n ALA 76 Cb 0.22 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.40 1.73 0.14 0.00 8.25 -0.52 -4.90 115.22 118.52 1j7s n HIS 77 Ca 0.07 -2.02 0.17 0.00 -0.26 0.00 0.00 57.72 55.68 1j7s n HIS 77 Cb 0.33 -0.27 0.75 0.00 1.12 0.00 0.00 29.99 31.92 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 2.20 0.00 0.00 2.41 -0.00 -1.67 -0.10 115.31 118.15 1j7s h LEU 78 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1j7s h LEU 78 Cb 1.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.07 1j7s h LEU 78 CO 0.41 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 179.32 1j7s n ASP 79 N -4.10 0.00 -2.91 -0.43 8.00 -1.26 -0.77 116.55 115.07 1j7s n ASP 79 Ca 0.04 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 1j7s n ASP 79 Cb 0.39 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1j7s n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j7s n ASN 80 N -1.35 -0.10 -0.17 -2.24 5.15 -0.06 -4.22 115.26 112.27 1j7s n ASN 80 Ca 0.12 -3.05 -0.10 0.00 -0.60 0.00 0.00 54.58 50.95 1j7s n ASN 80 Cb 0.26 0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 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 2.89 0.91 -0.28 1.20 3.38 -1.72 -1.93 115.31 119.75 1j7s h LEU 81 Ca -0.03 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1j7s h LEU 81 Cb 1.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1j7s h LEU 81 CO 0.35 1.02 -0.02 0.11 0.09 0.00 0.00 178.44 179.98 1j7s h LYS 82 N 0.78 0.06 -0.63 1.13 1.57 -1.91 -0.90 116.57 116.67 1j7s h LYS 82 Ca 0.14 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1j7s h LYS 82 Cb 0.58 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1j7s h LYS 82 CO 0.03 0.04 0.15 0.78 -0.57 0.00 0.00 179.45 179.89 1j7s h GLY 83 N 0.06 1.09 1.00 3.86 0.00 -1.95 -2.20 103.07 104.93 1j7s h GLY 83 Ca 0.14 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1j7s h GLY 83 CO -0.25 0.64 0.40 -0.84 0.00 0.00 0.00 176.54 176.49 1j7s h THR 84 N 0.93 1.20 -0.51 4.70 2.02 -0.95 -3.26 112.91 117.04 1j7s h THR 84 Ca 0.20 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1j7s h THR 84 Cb 0.36 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1j7s h THR 84 CO 0.00 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.59 1j7s n PHE 85 N -4.54 0.67 -0.10 3.16 3.72 -0.38 -4.66 117.46 115.33 1j7s n PHE 85 Ca 0.06 -0.37 -0.06 0.00 -0.05 0.00 0.00 57.45 57.03 1j7s n PHE 85 Cb 0.07 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.61 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 4.04 0.28 -0.27 4.37 0.00 -1.45 0.26 119.26 126.49 1j7s h ALA 86 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1j7s h ALA 86 Cb 0.94 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1j7s h ALA 86 CO 0.00 -0.42 -0.50 1.15 0.00 0.00 0.00 179.25 179.48 1j7s h THR 87 N 0.07 1.29 -0.10 0.00 2.02 -1.85 -2.36 112.91 111.97 1j7s h THR 87 Ca 0.16 -1.70 -0.06 0.00 0.77 0.00 0.00 66.41 65.58 1j7s h THR 87 Cb 0.23 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1j7s h THR 87 CO -0.30 0.55 -0.22 -0.07 0.37 0.00 0.00 175.52 175.85 1j7s h LEU 88 N 0.59 0.17 -0.24 2.58 3.38 -1.78 -1.71 115.31 118.30 1j7s h LEU 88 Ca 0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1j7s h LEU 88 Cb 1.08 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1j7s h LEU 88 CO 0.11 0.40 0.09 -1.28 0.09 0.00 0.00 178.44 177.85 1j7s h SER 89 N 0.16 0.34 -0.54 -0.43 0.87 -0.07 -0.81 113.55 113.07 1j7s h SER 89 Ca 0.03 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1j7s h SER 89 Cb 0.49 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1j7s h SER 89 CO 0.03 0.42 0.34 -0.33 -0.53 0.00 0.00 176.83 176.77 1j7s h GLU 90 N 0.23 0.67 -0.68 2.24 5.08 -1.21 -2.15 114.58 118.75 1j7s h GLU 90 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1j7s h GLU 90 Cb 0.20 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1j7s h GLU 90 CO -0.01 0.44 0.34 1.25 -1.00 0.00 0.00 179.01 180.04 1j7s h LEU 91 N 0.69 0.87 -1.30 1.33 5.85 -1.11 0.28 115.31 121.93 1j7s h LEU 91 Ca 0.21 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1j7s h LEU 91 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1j7s h LEU 91 CO -0.07 0.74 -0.19 0.45 -0.34 0.00 0.00 178.44 179.04 1j7s h HIS 92 N 0.94 0.26 0.00 1.25 3.86 -0.68 -1.34 115.15 119.43 1j7s h HIS 92 Ca 0.23 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1j7s h HIS 92 Cb 0.09 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 1j7s h HIS 92 CO 0.00 0.42 -0.01 0.00 0.86 0.00 0.00 177.93 179.21 1j7s h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -0.44 -3.24 116.42 115.06 1j7s h ASP 94 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1j7s h ASP 94 Cb 0.66 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1j7s h ASP 94 CO -0.00 0.97 -1.77 0.29 -1.72 0.00 0.00 179.24 177.01 1j7s n LYS 95 N -3.30 0.56 0.07 3.56 4.76 -0.65 -4.72 118.16 118.44 1j7s n LYS 95 Ca -0.02 0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.60 1j7s n LYS 95 Cb 0.94 -1.27 0.06 0.00 -1.84 0.00 0.00 35.03 32.93 1j7s n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j7s n LEU 96 N -2.84 0.72 -3.79 -0.35 4.77 -0.60 -4.99 117.00 109.92 1j7s n LEU 96 Ca -0.23 0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 1j7s n LEU 96 Cb 0.77 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1j7s n LEU 96 CO 0.15 -0.09 0.04 1.41 -1.33 0.00 0.00 177.39 177.57 1j7s n HIS 97 N -2.31 -2.17 -3.18 -1.77 8.25 -0.30 -4.96 115.22 108.78 1j7s n HIS 97 Ca 0.02 0.89 -0.43 0.00 -0.26 0.00 0.00 57.72 57.93 1j7s n HIS 97 Cb 0.49 -4.25 -0.07 0.00 1.12 0.00 0.00 29.99 27.27 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 -3.47 4.90 -0.16 1.59 1.01 -0.67 -5.03 120.40 118.59 1j7s s VAL 98 Ca 0.36 -0.24 -0.38 0.00 0.00 0.00 0.00 61.98 61.72 1j7s s VAL 98 Cb -0.18 -4.20 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 1j7s s VAL 98 CO 0.81 -0.64 1.74 -0.67 0.00 0.00 0.00 175.10 176.34 1j7s n ASP 99 N 6.08 2.70 0.25 3.32 -0.08 -1.26 -4.79 116.55 122.76 1j7s n ASP 99 Ca -0.05 1.05 0.18 0.00 -1.51 0.00 0.00 54.79 54.46 1j7s n ASP 99 Cb 0.47 -1.24 0.89 0.00 2.34 0.00 0.00 41.12 43.58 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 7.52 0.00 -0.25 -0.67 0.11 -1.97 0.12 132.00 136.86 1j7s h PRO 100 Ca -0.47 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1j7s h PRO 100 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1j7s h PRO 100 CO 0.93 0.00 0.27 1.49 -0.21 0.00 0.00 178.00 180.49 1j7s h GLU 101 N 0.00 0.00 -0.51 1.05 4.57 -1.99 0.87 114.58 118.57 1j7s h GLU 101 Ca 0.06 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1j7s h GLU 101 Cb 0.49 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1j7s h GLU 101 CO -0.00 0.00 0.18 -0.91 -1.18 0.00 0.00 179.01 177.10 1j7s h ASN 102 N 0.00 0.68 -0.62 1.04 4.21 -1.11 -2.36 115.58 117.42 1j7s h ASN 102 Ca 0.12 -0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 1j7s h ASN 102 Cb 0.66 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.65 1j7s h ASN 102 CO -0.00 0.63 0.30 -0.26 -1.29 0.00 0.00 177.43 176.81 1j7s h PHE 103 N 0.73 0.92 -0.25 1.19 0.04 -1.00 -1.17 116.94 117.40 1j7s h PHE 103 Ca 0.17 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.78 1j7s h PHE 103 Cb 0.18 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1j7s h PHE 103 CO 0.01 0.68 -0.36 0.00 -0.60 0.00 0.00 178.31 178.04 1j7s h ARG 104 N 0.92 0.69 -0.05 1.51 3.08 -1.49 -1.08 114.38 117.96 1j7s h ARG 104 Ca 0.23 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1j7s h ARG 104 Cb 0.11 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1j7s h ARG 104 CO -0.03 1.02 0.03 -0.07 -1.07 0.00 0.00 179.97 179.85 1j7s h LEU 105 N 0.41 0.04 -0.41 3.04 3.38 -1.23 -1.87 115.31 118.68 1j7s h LEU 105 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1j7s h LEU 105 Cb 0.94 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1j7s h LEU 105 CO 0.08 0.03 0.17 0.25 0.09 0.00 0.00 178.44 179.07 1j7s h LEU 106 N 0.06 0.21 -1.08 1.67 5.85 -1.20 -1.55 115.31 119.28 1j7s h LEU 106 Ca 0.02 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1j7s h LEU 106 Cb -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1j7s h LEU 106 CO -0.01 0.16 0.62 1.23 -0.34 0.00 0.00 178.44 180.10 1j7s h GLY 107 N 0.35 1.47 1.23 3.75 0.00 -0.96 0.15 103.07 109.07 1j7s h GLY 107 Ca 0.18 -0.42 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 1j7s h GLY 107 CO -0.16 0.25 -0.78 3.43 0.00 0.00 0.00 176.54 179.27 1j7s h ASN 108 N 1.03 0.89 -0.82 0.19 2.35 -0.94 -2.46 115.58 115.82 1j7s h ASN 108 Ca 0.44 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1j7s h ASN 108 Cb 0.34 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1j7s h ASN 108 CO -0.20 1.38 0.42 0.58 -1.65 0.00 0.00 177.43 177.96 1j7s h VAL 109 N 0.51 1.25 -0.94 2.81 2.07 -1.03 -2.39 116.25 118.53 1j7s h VAL 109 Ca -0.05 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1j7s h VAL 109 Cb 1.41 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1j7s h VAL 109 CO 0.16 0.30 0.60 0.25 0.02 0.00 0.00 177.57 178.90 1j7s h LEU 110 N 1.17 1.09 -0.36 2.57 5.85 -0.55 -1.00 115.31 124.10 1j7s h LEU 110 Ca 0.29 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1j7s h LEU 110 Cb 0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1j7s h LEU 110 CO -0.04 0.81 0.18 0.58 -0.34 0.00 0.00 178.44 179.63 1j7s h VAL 111 N 1.28 1.16 -0.15 1.05 2.07 -1.32 -0.98 116.25 119.36 1j7s h VAL 111 Ca 0.34 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1j7s h VAL 111 Cb -0.12 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1j7s h VAL 111 CO -0.07 0.16 0.04 0.00 0.02 0.00 0.00 177.57 177.73 1j7s h VAL 113 N 0.21 1.33 -0.62 0.00 2.07 -0.77 -1.35 116.25 117.11 1j7s h VAL 113 Ca 0.05 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1j7s h VAL 113 Cb 0.07 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1j7s h VAL 113 CO -0.00 0.40 0.36 -0.07 0.02 0.00 0.00 177.57 178.28 1j7s h LEU 114 N 0.10 0.76 -0.85 2.57 3.38 -0.99 0.53 115.31 120.80 1j7s h LEU 114 Ca 0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1j7s h LEU 114 Cb 0.70 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1j7s h LEU 114 CO 0.04 0.61 0.35 0.00 0.09 0.00 0.00 178.44 179.54 1j7s h ALA 115 N 1.18 1.09 -0.45 1.53 0.00 -1.26 0.54 119.26 121.89 1j7s h ALA 115 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1j7s h ALA 115 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1j7s h ALA 115 CO -0.04 0.66 0.06 1.25 0.00 0.00 0.00 179.25 181.18 1j7s h HIS 116 N 1.17 0.80 -0.40 0.00 -0.00 -0.81 -0.19 115.15 115.72 1j7s h HIS 116 Ca 0.27 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1j7s h HIS 116 Cb 0.17 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1j7s h HIS 116 CO 0.02 0.76 0.17 1.25 -0.00 0.00 0.00 177.93 180.13 1j7s h HIS 117 N 0.61 0.60 -0.01 5.26 6.17 -0.68 -3.32 115.15 123.78 1j7s h HIS 117 Ca 0.13 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1j7s h HIS 117 Cb 0.40 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1j7s h HIS 117 CO 0.03 0.53 -0.42 1.19 0.71 0.00 0.00 177.93 179.96 1j7s n PHE 118 N -4.66 0.00 0.00 5.26 3.72 0.16 -5.05 117.46 116.90 1j7s n PHE 118 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1j7s n PHE 118 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.17 3.35 0.19 1.37 0.00 -0.09 -2.09 105.19 109.09 1j7s n GLY 119 Ca 0.05 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1j7s n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j7s h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.15 116.57 118.17 1j7s h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1j7s h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1j7s h LYS 120 CO 0.00 0.00 -0.11 0.93 -2.00 0.00 0.00 179.45 178.27 1j7s h GLU 121 N 0.00 0.00 -4.91 0.07 5.08 -1.82 -3.32 114.58 109.68 1j7s h GLU 121 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 1j7s h GLU 121 Cb 0.46 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 1j7s h GLU 121 CO 0.00 0.11 2.25 0.34 -1.00 0.00 0.00 179.01 180.71 1j7s n PHE 122 N -3.91 4.25 -1.64 4.33 7.35 -0.07 -4.94 117.46 122.83 1j7s n PHE 122 Ca -0.02 -2.97 -0.30 0.00 -0.76 0.00 0.00 57.45 53.39 1j7s n PHE 122 Cb 0.21 -2.45 0.07 0.00 0.35 0.00 0.00 39.48 37.66 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 3.00 3.40 0.21 -2.13 -4.23 -1.25 -4.73 115.64 109.91 1j7s s THR 123 Ca 0.48 0.45 -0.10 0.00 -1.18 0.00 0.00 61.69 61.34 1j7s s THR 123 Cb 0.06 -3.27 0.17 0.00 1.34 0.00 0.00 72.50 70.81 1j7s s THR 123 CO 0.01 -0.59 1.69 -0.65 -0.54 0.00 0.00 174.62 174.54 1j7s h PRO 124 N -0.89 0.18 0.00 3.99 0.11 -1.93 0.69 132.00 134.14 1j7s h PRO 124 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1j7s h PRO 124 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1j7s h PRO 124 CO 0.60 0.12 -0.31 -1.35 -0.21 0.00 0.00 178.00 176.85 1j7s h PRO 125 N 0.18 0.00 -0.19 1.05 0.11 -1.99 -1.30 132.00 129.86 1j7s h PRO 125 Ca 0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.29 1j7s h PRO 125 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1j7s h PRO 125 CO -0.46 0.31 -0.42 0.28 -0.21 0.00 0.00 178.00 177.51 1j7s h VAL 126 N 0.00 1.33 -0.53 3.15 2.07 -1.48 -2.66 116.25 118.13 1j7s h VAL 126 Ca -0.00 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.87 1j7s h VAL 126 Cb 0.73 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1j7s h VAL 126 CO 0.04 0.51 0.35 -0.61 0.02 0.00 0.00 177.57 177.88 1j7s h GLN 127 N 0.29 0.69 -0.60 1.57 4.15 -0.61 -1.72 115.11 118.89 1j7s h GLN 127 Ca 0.00 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.41 1j7s h GLN 127 Cb 1.02 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.52 1j7s h GLN 127 CO 0.09 0.46 0.36 0.00 -1.93 0.00 0.00 178.83 177.81 1j7s h ALA 128 N 1.20 0.78 -0.59 3.38 0.00 -1.12 0.14 119.26 123.06 1j7s h ALA 128 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1j7s h ALA 128 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1j7s h ALA 128 CO -0.05 0.09 0.17 0.00 0.00 0.00 0.00 179.25 179.46 1j7s h ALA 129 N 1.27 0.77 -0.04 0.00 0.00 -1.19 -2.47 119.26 117.60 1j7s h ALA 129 Ca 0.25 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1j7s h ALA 129 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1j7s h ALA 129 CO -0.11 0.45 -0.43 1.88 0.00 0.00 0.00 179.25 181.04 1j7s h TYR 130 N 0.83 0.11 -0.75 0.00 -1.99 -0.75 -2.31 116.97 112.11 1j7s h TYR 130 Ca 0.19 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.86 1j7s h TYR 130 Cb 0.30 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 1j7s h TYR 130 CO 0.02 0.51 0.35 1.96 -0.00 0.00 0.00 178.16 181.00 1j7s h GLN 131 N 0.08 1.09 -0.75 4.88 1.08 -0.50 0.21 115.11 121.20 1j7s h GLN 131 Ca 0.00 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1j7s h GLN 131 Cb 0.79 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 1j7s h GLN 131 CO 0.06 0.86 0.34 0.87 -0.95 0.00 0.00 178.83 180.01 1j7s h LYS 132 N 1.06 1.09 -0.11 1.46 1.57 -1.20 -1.50 116.57 118.95 1j7s h LYS 132 Ca 0.26 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1j7s h LYS 132 Cb 0.14 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1j7s h LYS 132 CO -0.03 0.87 0.05 0.28 -0.57 0.00 0.00 179.45 180.05 1j7s h VAL 133 N 1.06 1.11 -0.52 0.50 2.07 -0.83 0.13 116.25 119.78 1j7s h VAL 133 Ca 0.25 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1j7s h VAL 133 Cb 0.15 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1j7s h VAL 133 CO -0.03 0.10 -0.13 -0.37 0.02 0.00 0.00 177.57 177.16 1j7s h VAL 134 N 0.06 1.27 -0.60 2.57 -1.51 -0.88 -0.67 116.25 116.48 1j7s h VAL 134 Ca 0.04 -1.29 -0.06 0.00 -1.23 0.00 0.00 66.70 64.16 1j7s h VAL 134 Cb 0.11 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.25 1j7s h VAL 134 CO -0.00 0.45 0.12 0.00 -1.23 0.00 0.00 177.57 176.90 1j7s h ALA 135 N 0.96 1.08 -0.36 5.19 0.00 -1.20 -1.83 119.26 123.10 1j7s h ALA 135 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j7s h ALA 135 Cb 0.70 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1j7s h ALA 135 CO 0.05 0.60 0.20 0.78 0.00 0.00 0.00 179.25 180.89 1j7s h GLY 136 N 1.02 0.52 1.00 0.00 0.00 -0.53 -1.27 103.07 103.81 1j7s h GLY 136 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1j7s h GLY 136 CO 0.01 0.22 0.19 -2.08 0.00 0.00 0.00 176.54 174.88 1j7s h VAL 137 N 0.45 1.08 -0.59 4.60 2.07 -1.02 0.59 116.25 123.45 1j7s h VAL 137 Ca 0.13 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1j7s h VAL 137 Cb 0.04 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1j7s h VAL 137 CO -0.02 0.08 0.34 0.00 0.02 0.00 0.00 177.57 177.99 1j7s h ALA 138 N 1.10 0.75 -0.65 1.67 0.00 -1.15 -0.90 119.26 120.08 1j7s h ALA 138 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1j7s h ALA 138 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1j7s h ALA 138 CO -0.02 0.25 0.12 -0.91 0.00 0.00 0.00 179.25 178.69 1j7s h ASN 139 N 0.80 1.00 -0.30 0.00 2.35 -1.04 -1.81 115.58 116.58 1j7s h ASN 139 Ca 0.21 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1j7s h ASN 139 Cb 0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1j7s h ASN 139 CO -0.04 0.99 0.02 0.00 -1.65 0.00 0.00 177.43 176.75 1j7s h ALA 140 N 1.13 1.30 0.00 -0.83 0.00 -0.21 -2.50 119.26 118.15 1j7s h ALA 140 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1j7s h ALA 140 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1j7s h ALA 140 CO 0.01 0.48 -0.45 -0.07 0.00 0.00 0.00 179.25 179.22 1j7s h LEU 141 N 0.59 0.00 -1.23 0.00 3.38 -0.85 -2.94 115.31 114.26 1j7s h LEU 141 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1j7s h LEU 141 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1j7s h LEU 141 CO 0.01 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1j7s n ALA 142 N -2.27 2.52 -0.20 1.53 0.00 -0.71 -4.43 120.51 116.95 1j7s n ALA 142 Ca 0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1j7s n ALA 142 Cb 0.61 -1.07 0.06 0.00 0.00 0.00 0.00 19.45 19.05 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 2.61 1.11 -0.47 0.00 6.17 -1.26 -3.04 115.15 120.27 1j7s h HIS 143 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 60.37 60.90 1j7s h HIS 143 Cb 0.57 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1j7s h HIS 143 CO 0.08 0.97 0.00 1.63 0.71 0.00 0.00 177.93 181.32 1j7s n LYS 144 N -4.19 2.34 -1.90 5.26 4.76 -1.26 -4.94 118.16 118.23 1j7s n LYS 144 Ca 0.03 -2.05 -0.39 0.00 -2.87 0.00 0.00 58.31 53.04 1j7s n LYS 144 Cb 0.33 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.38 2.49 0.00 2.13 1.51 -1.15 -4.81 117.35 116.13 1j7s s TYR 145 Ca 0.39 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.83 1j7s s TYR 145 Cb 0.21 -3.74 0.00 0.00 -0.11 0.00 0.00 41.96 38.32 1j7s s TYR 145 CO 0.29 -2.58 0.00 -2.39 -1.11 0.00 0.00 175.55 169.76