#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy7 n HIS 2 N 0.00 0.00 -1.70 6.34 -0.00 -1.26 -5.13 115.22 113.48 1jy7 n HIS 2 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.72 57.14 1jy7 n HIS 2 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 1jy7 n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1jy7 n LEU 3 N 0.00 2.11 -4.86 0.27 4.77 -1.26 -4.94 117.00 113.09 1jy7 n LEU 3 Ca 0.00 1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 56.75 1jy7 n LEU 3 Cb 0.00 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 1jy7 n LEU 3 CO 0.00 -0.59 0.29 0.42 -1.33 0.00 0.00 177.39 176.19 1jy7 s THR 4 N 3.01 4.83 0.00 -5.08 -4.23 -1.26 -4.60 115.64 108.30 1jy7 s THR 4 Ca 0.97 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 1jy7 s THR 4 Cb -1.11 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 69.10 1jy7 s THR 4 CO 0.65 -0.08 0.00 -2.65 -0.54 0.00 0.00 174.62 172.00 1jy7 n PRO 5 N -0.11 0.00 0.02 3.99 -0.02 -1.26 0.48 135.00 138.10 1jy7 n PRO 5 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 1jy7 n PRO 5 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.94 1jy7 n PRO 5 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1jy7 h GLU 6 N 0.00 0.05 0.06 -0.52 9.09 -1.99 -2.05 114.58 119.23 1jy7 h GLU 6 Ca 0.00 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.43 1jy7 h GLU 6 Cb 0.00 -0.01 -0.05 0.00 -1.65 0.00 0.00 28.75 27.04 1jy7 h GLU 6 CO 0.00 0.11 -0.38 0.93 0.05 0.00 0.00 179.01 179.72 1jy7 h GLU 7 N -0.02 -0.56 -0.98 1.06 5.08 -0.33 1.82 114.58 120.66 1jy7 h GLU 7 Ca 0.01 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.58 1jy7 h GLU 7 Cb 0.07 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 29.28 1jy7 h GLU 7 CO -0.00 -0.37 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.07 1jy7 h LYS 8 N -0.58 -0.01 0.08 2.33 1.63 -0.78 0.16 116.57 119.41 1jy7 h LYS 8 Ca 0.04 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.68 1jy7 h LYS 8 Cb 0.63 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1jy7 h LYS 8 CO -0.26 -0.00 -0.65 0.66 -3.45 0.00 0.00 179.45 175.75 1jy7 h SER 9 N -0.01 0.44 -0.66 4.20 4.64 -0.59 -3.22 113.55 118.36 1jy7 h SER 9 Ca 0.38 -0.88 0.14 0.00 -0.47 0.00 0.00 61.79 60.96 1jy7 h SER 9 Cb 0.63 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 62.48 1jy7 h SER 9 CO -0.99 1.28 0.10 0.00 -0.87 0.00 0.00 176.83 176.35 1jy7 h ALA 10 N 0.17 0.76 -0.11 5.18 0.00 0.37 1.05 119.26 126.69 1jy7 h ALA 10 Ca -0.10 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1jy7 h ALA 10 Cb 1.45 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1jy7 h ALA 10 CO 0.12 -0.35 0.01 0.28 0.00 0.00 0.00 179.25 179.32 1jy7 h VAL 11 N 0.21 0.94 0.00 0.00 2.07 -0.83 -2.12 116.25 116.52 1jy7 h VAL 11 Ca 0.35 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.79 1jy7 h VAL 11 Cb 0.57 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1jy7 h VAL 11 CO -0.49 0.01 -0.34 0.71 0.02 0.00 0.00 177.57 177.49 1jy7 h THR 12 N 0.05 1.21 0.33 2.57 1.35 -1.23 -2.91 112.91 114.27 1jy7 h THR 12 Ca 0.05 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1jy7 h THR 12 Cb 0.05 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 1jy7 h THR 12 CO -0.08 0.33 -0.50 0.00 -0.25 0.00 0.00 175.52 175.03 1jy7 h ALA 13 N 1.66 -1.03 0.24 6.62 0.00 0.18 -3.05 119.26 123.88 1jy7 h ALA 13 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jy7 h ALA 13 Cb 0.61 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1jy7 h ALA 13 CO 0.04 -1.13 -0.11 -0.07 0.00 0.00 0.00 179.25 177.98 1jy7 h LEU 14 N -0.87 -0.27 -1.46 0.00 3.38 -1.53 -3.14 115.31 111.43 1jy7 h LEU 14 Ca -0.03 -0.08 0.42 0.00 0.09 0.00 0.00 57.88 58.29 1jy7 h LEU 14 Cb 0.81 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1jy7 h LEU 14 CO -0.16 -0.09 1.29 1.87 0.09 0.00 0.00 178.44 181.44 1jy7 n TRP 15 N -5.18 0.00 0.06 1.13 -0.00 -1.10 0.14 117.44 112.49 1jy7 n TRP 15 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.28 1jy7 n TRP 15 Cb 0.18 -0.37 -0.03 0.00 -0.00 0.00 0.00 31.31 31.10 1jy7 n TRP 15 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1jy7 h GLY 16 N 0.00 0.48 -0.66 5.87 0.00 -1.48 -3.06 103.07 104.22 1jy7 h GLY 16 Ca 0.69 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1jy7 h GLY 16 CO -0.01 0.69 0.00 0.28 0.00 0.00 0.00 176.54 177.50 1jy7 n LYS 17 N -3.78 1.34 -2.96 4.80 5.02 0.36 -4.83 118.16 118.11 1jy7 n LYS 17 Ca -0.06 -0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 55.39 1jy7 n LYS 17 Cb 0.79 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.53 1jy7 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jy7 s VAL 18 N -1.70 4.71 -0.54 -0.18 1.01 -1.16 -4.99 120.40 117.56 1jy7 s VAL 18 Ca 0.08 0.79 -0.26 0.00 0.00 0.00 0.00 61.98 62.58 1jy7 s VAL 18 Cb 0.04 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1jy7 s VAL 18 CO 0.04 -0.50 2.17 0.21 0.00 0.00 0.00 175.10 177.02 1jy7 s ASN 19 N 1.91 4.81 0.52 3.32 3.84 -1.26 -4.82 114.94 123.26 1jy7 s ASN 19 Ca 0.31 0.77 0.21 0.00 0.21 0.00 0.00 52.86 54.35 1jy7 s ASN 19 Cb -0.13 -2.51 1.31 0.00 -0.55 0.00 0.00 41.25 39.37 1jy7 s ASN 19 CO 0.18 -2.65 2.05 1.62 -2.79 0.00 0.00 177.10 175.52 1jy7 h VAL 20 N 7.33 0.85 -0.36 -5.21 3.04 -1.95 -2.39 116.25 117.57 1jy7 h VAL 20 Ca -0.25 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1jy7 h VAL 20 Cb 1.22 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1jy7 h VAL 20 CO 1.18 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 178.22 1jy7 n ASP 21 N -4.45 2.62 0.03 3.17 8.00 -1.26 -4.17 116.55 120.48 1jy7 n ASP 21 Ca 0.05 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.37 1jy7 n ASP 21 Cb 0.39 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jy7 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jy7 n GLU 22 N 0.53 0.00 -0.27 -1.24 -0.58 -0.91 -4.79 120.64 113.38 1jy7 n GLU 22 Ca 0.14 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.95 1jy7 n GLU 22 Cb 0.49 -0.21 0.19 0.00 -0.57 0.00 0.00 31.44 31.34 1jy7 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1jy7 h VAL 23 N 0.00 0.34 -0.09 2.62 2.07 -1.75 -0.44 116.25 119.01 1jy7 h VAL 23 Ca 0.00 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1jy7 h VAL 23 Cb 0.00 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1jy7 h VAL 23 CO 0.00 0.03 -0.15 1.23 0.02 0.00 0.00 177.57 178.69 1jy7 h GLY 24 N 0.14 -0.12 1.58 2.17 0.00 -1.78 -0.70 103.07 104.36 1jy7 h GLY 24 Ca 0.45 0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.84 1jy7 h GLY 24 CO -0.65 -0.15 -0.38 -1.33 0.00 0.00 0.00 176.54 174.02 1jy7 h GLY 25 N -0.21 0.51 1.44 4.60 0.00 -1.54 -2.58 103.07 105.28 1jy7 h GLY 25 Ca 0.08 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1jy7 h GLY 25 CO -0.21 0.44 -0.34 -2.09 0.00 0.00 0.00 176.54 174.33 1jy7 h GLU 26 N 0.39 0.62 -0.09 4.80 4.81 -0.75 -1.34 114.58 123.02 1jy7 h GLU 26 Ca 0.04 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1jy7 h GLU 26 Cb 0.84 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1jy7 h GLU 26 CO 0.07 0.88 -0.10 0.00 -0.73 0.00 0.00 179.01 179.13 1jy7 h ALA 27 N 1.10 0.14 -0.21 2.92 0.00 -1.06 -1.67 119.26 120.48 1jy7 h ALA 27 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1jy7 h ALA 27 Cb 0.84 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jy7 h ALA 27 CO 0.07 -0.02 0.03 1.25 0.00 0.00 0.00 179.25 180.58 1jy7 h LEU 28 N -0.18 0.28 0.25 0.00 7.12 -1.45 -2.63 115.31 118.70 1jy7 h LEU 28 Ca 0.01 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1jy7 h LEU 28 Cb 0.63 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1jy7 h LEU 28 CO 0.02 0.31 -0.12 1.23 -0.13 0.00 0.00 178.44 179.75 1jy7 h GLY 29 N 0.55 -0.36 1.05 3.75 0.00 -1.11 -3.20 103.07 103.76 1jy7 h GLY 29 Ca 0.07 0.13 0.10 0.00 0.00 0.00 0.00 47.33 47.63 1jy7 h GLY 29 CO 0.00 -0.13 0.40 3.21 0.00 0.00 0.00 176.54 180.02 1jy7 h ARG 30 N -0.83 0.39 -0.50 4.80 3.08 -1.22 -1.77 114.38 118.33 1jy7 h ARG 30 Ca -0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1jy7 h ARG 30 Cb 0.51 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1jy7 h ARG 30 CO 0.06 0.26 0.32 1.25 -1.07 0.00 0.00 179.97 180.79 1jy7 h LEU 31 N 0.40 0.54 -1.51 3.04 5.85 -1.50 0.11 115.31 122.24 1jy7 h LEU 31 Ca 0.27 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1jy7 h LEU 31 Cb 0.54 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1jy7 h LEU 31 CO -0.07 0.39 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.09 1jy7 h LEU 32 N 0.65 0.00 0.00 2.25 3.38 -1.32 -0.39 115.31 119.88 1jy7 h LEU 32 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1jy7 h LEU 32 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jy7 h LEU 32 CO -0.06 0.25 -0.37 0.58 0.09 0.00 0.00 178.44 178.93 1jy7 h VAL 33 N 0.00 1.55 -0.13 1.22 2.07 -1.15 -3.31 116.25 116.49 1jy7 h VAL 33 Ca -0.00 -2.31 -0.16 0.00 0.82 0.00 0.00 66.70 65.05 1jy7 h VAL 33 Cb 0.52 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1jy7 h VAL 33 CO 0.03 0.53 -0.59 0.58 0.02 0.00 0.00 177.57 178.14 1jy7 h VAL 34 N -0.98 1.35 -2.81 2.57 2.07 -0.82 -3.37 116.25 114.26 1jy7 h VAL 34 Ca -0.10 -1.89 -0.61 0.00 0.82 0.00 0.00 66.70 64.92 1jy7 h VAL 34 Cb 1.10 1.89 -0.41 0.00 -1.52 0.00 0.00 31.29 32.35 1jy7 h VAL 34 CO -0.05 0.58 -0.66 -1.22 0.02 0.00 0.00 177.57 176.23 1jy7 n TYR 35 N -3.92 2.51 -0.32 1.57 4.01 -0.16 -5.00 117.16 115.85 1jy7 n TYR 35 Ca -0.03 -4.11 0.29 0.00 -0.16 0.00 0.00 57.90 53.89 1jy7 n TYR 35 Cb 0.62 -0.46 0.54 0.00 -0.31 0.00 0.00 39.34 39.73 1jy7 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jy7 h PRO 36 N 5.21 0.06 0.00 -0.72 0.11 -1.74 -2.26 132.00 132.66 1jy7 h PRO 36 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jy7 h PRO 36 Cb 0.77 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1jy7 h PRO 36 CO 0.67 0.04 0.00 -2.67 -0.21 0.00 0.00 178.00 175.83 1jy7 n TRP 37 N -5.24 0.30 1.34 0.65 2.14 -1.26 -1.27 117.44 114.09 1jy7 n TRP 37 Ca 0.36 0.15 0.14 0.00 2.07 0.00 0.00 57.50 60.21 1jy7 n TRP 37 Cb 1.19 -0.74 0.63 0.00 -0.81 0.00 0.00 31.31 31.58 1jy7 n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1jy7 n THR 38 N -1.80 0.00 0.15 -1.67 -2.24 -0.85 -3.33 114.28 104.54 1jy7 n THR 38 Ca 0.00 -0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1jy7 n THR 38 Cb 0.05 -0.25 0.22 0.00 -2.10 0.00 0.00 70.33 68.26 1jy7 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1jy7 h GLN 39 N 0.28 0.00 -1.12 -0.78 4.20 -1.41 -3.09 115.11 113.19 1jy7 h GLN 39 Ca 0.00 0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.02 1jy7 h GLN 39 Cb 0.36 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.06 1jy7 h GLN 39 CO 0.00 0.54 0.75 -0.09 -0.67 0.00 0.00 178.83 179.35 1jy7 h ARG 40 N 0.00 0.23 0.00 1.46 2.43 -1.75 0.25 114.38 117.01 1jy7 h ARG 40 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1jy7 h ARG 40 Cb 1.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1jy7 h ARG 40 CO 0.07 0.15 0.00 0.74 -1.51 0.00 0.00 179.97 179.42 1jy7 h PHE 41 N 0.24 0.00 -2.12 2.20 -1.00 -1.79 -3.36 116.94 111.11 1jy7 h PHE 41 Ca 0.61 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.80 1jy7 h PHE 41 Cb 1.86 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 41.00 1jy7 h PHE 41 CO -0.00 0.00 -0.67 1.19 -1.61 0.00 0.00 178.31 177.21 1jy7 n PHE 42 N -3.00 3.83 0.09 -0.55 3.01 0.88 -4.84 117.46 116.89 1jy7 n PHE 42 Ca 0.03 -3.81 -0.13 0.00 1.01 0.00 0.00 57.45 54.55 1jy7 n PHE 42 Cb 0.46 -0.40 -0.08 0.00 -0.01 0.00 0.00 39.48 39.44 1jy7 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1jy7 h GLU 43 N 2.90 -0.20 -0.13 -1.08 5.08 -1.72 -3.17 114.58 116.26 1jy7 h GLU 43 Ca 0.16 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1jy7 h GLU 43 Cb 0.60 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1jy7 h GLU 43 CO 0.82 0.06 0.60 0.66 -1.00 0.00 0.00 179.01 180.14 1jy7 h SER 44 N -0.45 0.00 0.85 1.42 4.64 -1.94 -1.19 113.55 116.88 1jy7 h SER 44 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1jy7 h SER 44 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1jy7 h SER 44 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 1jy7 n PHE 45 N -2.92 0.61 0.00 4.77 0.99 -1.20 -5.00 117.46 114.72 1jy7 n PHE 45 Ca 0.02 0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 1jy7 n PHE 45 Cb 0.67 -0.86 0.00 0.00 -1.00 0.00 0.00 39.48 38.29 1jy7 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jy7 n GLY 46 N 0.37 0.77 3.66 1.37 0.00 -0.45 -4.90 105.19 106.00 1jy7 n GLY 46 Ca 0.03 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1jy7 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jy7 s ASP 47 N -4.00 6.98 -0.13 1.61 3.68 -1.26 -4.88 116.67 118.67 1jy7 s ASP 47 Ca 0.00 1.22 0.24 0.00 2.13 0.00 0.00 52.55 56.14 1jy7 s ASP 47 Cb 0.00 -2.49 0.47 0.00 -1.45 0.00 0.00 42.92 39.45 1jy7 s ASP 47 CO 0.00 -0.54 1.14 0.18 0.13 0.00 0.00 175.17 176.08 1jy7 n LEU 48 N 5.90 1.37 0.17 -1.34 4.77 -1.26 -4.36 117.00 122.24 1jy7 n LEU 48 Ca 0.08 -2.55 -0.08 0.00 -0.03 0.00 0.00 56.01 53.43 1jy7 n LEU 48 Cb 0.47 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1jy7 n LEU 48 CO 0.49 0.79 0.20 -1.28 -1.33 0.00 0.00 177.39 176.26 1jy7 h SER 49 N 1.74 -0.42 -2.88 -1.43 0.87 -1.93 -3.46 113.55 106.04 1jy7 h SER 49 Ca -0.17 0.01 -0.63 0.00 -1.23 0.00 0.00 61.79 59.78 1jy7 h SER 49 Cb 1.59 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.62 1jy7 h SER 49 CO 0.15 0.01 -0.48 0.42 -0.53 0.00 0.00 176.83 176.39 1jy7 s THR 50 N -3.18 5.39 0.57 2.23 -4.23 -1.26 -4.98 115.64 110.18 1jy7 s THR 50 Ca -0.07 -0.25 0.31 0.00 -1.18 0.00 0.00 61.69 60.49 1jy7 s THR 50 Cb 0.01 -3.59 0.44 0.00 1.34 0.00 0.00 72.50 70.69 1jy7 s THR 50 CO 0.22 0.22 1.84 1.55 -0.54 0.00 0.00 174.62 177.91 1jy7 h PRO 51 N 3.40 0.00 0.01 3.99 0.13 -2.00 0.37 132.00 137.90 1jy7 h PRO 51 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1jy7 h PRO 51 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1jy7 h PRO 51 CO 0.73 0.00 -0.99 -0.44 -0.23 0.00 0.00 178.00 177.07 1jy7 h ASP 52 N 0.00 0.62 -0.79 1.44 3.32 -1.98 -1.98 116.42 117.05 1jy7 h ASP 52 Ca 0.35 -0.51 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1jy7 h ASP 52 Cb 1.62 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 1jy7 h ASP 52 CO -0.00 1.31 0.52 0.00 -1.72 0.00 0.00 179.24 179.35 1jy7 h ALA 53 N 0.64 1.01 0.76 3.45 0.00 -0.62 0.17 119.26 124.67 1jy7 h ALA 53 Ca -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1jy7 h ALA 53 Cb 1.64 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1jy7 h ALA 53 CO 0.18 0.40 -0.36 0.28 0.00 0.00 0.00 179.25 179.75 1jy7 h VAL 54 N 1.06 0.11 -0.00 0.00 2.07 -1.31 -2.86 116.25 115.32 1jy7 h VAL 54 Ca 0.29 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1jy7 h VAL 54 Cb -0.11 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1jy7 h VAL 54 CO -0.07 0.01 0.02 0.24 0.02 0.00 0.00 177.57 177.80 1jy7 h MET 55 N -1.19 0.00 -1.02 1.57 2.07 -1.14 -2.30 114.93 112.93 1jy7 h MET 55 Ca -0.10 0.00 -0.63 0.00 -2.07 0.00 0.00 59.70 56.90 1jy7 h MET 55 Cb 0.80 0.00 -0.35 0.00 -1.87 0.00 0.00 31.60 30.17 1jy7 h MET 55 CO 0.17 0.00 0.12 0.41 1.07 0.00 0.00 176.91 178.68 1jy7 n GLY 56 N -1.12 6.07 3.16 8.32 0.00 0.58 -4.93 105.19 117.27 1jy7 n GLY 56 Ca -0.03 -2.50 -0.34 0.00 0.00 0.00 0.00 46.02 43.15 1jy7 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jy7 s ASN 57 N -2.58 4.49 0.27 1.61 3.84 -0.87 -4.93 114.94 116.76 1jy7 s ASN 57 Ca 0.57 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 52.55 1jy7 s ASN 57 Cb 0.46 -1.65 0.59 0.00 -0.55 0.00 0.00 41.25 40.09 1jy7 s ASN 57 CO -0.04 -0.18 1.74 -0.65 -2.79 0.00 0.00 177.10 175.19 1jy7 h PRO 58 N 7.96 0.55 -0.44 0.43 0.11 -1.91 -1.30 132.00 137.40 1jy7 h PRO 58 Ca -0.27 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.72 1jy7 h PRO 58 Cb 1.08 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1jy7 h PRO 58 CO 0.54 0.36 -0.08 0.87 -0.21 0.00 0.00 178.00 179.48 1jy7 h LYS 59 N 0.56 0.82 0.73 1.05 1.57 -1.95 0.82 116.57 120.18 1jy7 h LYS 59 Ca 0.49 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1jy7 h LYS 59 Cb 0.77 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1jy7 h LYS 59 CO -0.41 0.93 -0.50 0.28 -0.57 0.00 0.00 179.45 179.18 1jy7 h VAL 60 N 0.65 0.01 0.00 0.50 2.07 -1.61 0.69 116.25 118.56 1jy7 h VAL 60 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1jy7 h VAL 60 Cb 0.61 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jy7 h VAL 60 CO 0.04 0.00 -0.03 0.07 0.02 0.00 0.00 177.57 177.66 1jy7 h LYS 61 N -1.17 0.00 -0.06 1.57 2.10 -1.38 0.46 116.57 118.09 1jy7 h LYS 61 Ca -0.10 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.32 1jy7 h LYS 61 Cb 0.95 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.29 1jy7 h LYS 61 CO 0.07 0.03 -0.89 0.00 -2.00 0.00 0.00 179.45 176.66 1jy7 h ALA 62 N 1.97 0.31 0.02 0.07 0.00 -0.52 -2.94 119.26 118.17 1jy7 h ALA 62 Ca -0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 54.91 54.00 1jy7 h ALA 62 Cb 0.46 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jy7 h ALA 62 CO 0.00 0.73 -1.01 1.25 0.00 0.00 0.00 179.25 180.23 1jy7 h HIS 63 N 0.38 0.77 -0.42 0.00 -0.00 -0.37 -3.16 115.15 112.35 1jy7 h HIS 63 Ca -0.08 -0.43 0.08 0.00 -0.00 0.00 0.00 60.37 59.94 1jy7 h HIS 63 Cb 1.52 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.83 1jy7 h HIS 63 CO 0.08 1.26 0.29 0.78 -0.00 0.00 0.00 177.93 180.33 1jy7 h GLY 64 N 0.94 0.29 1.95 5.26 0.00 -0.94 0.25 103.07 110.82 1jy7 h GLY 64 Ca -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1jy7 h GLY 64 CO 0.18 0.06 -0.16 1.70 0.00 0.00 0.00 176.54 178.33 1jy7 h LYS 65 N 0.22 0.07 -0.03 4.80 3.64 -1.47 -1.96 116.57 121.83 1jy7 h LYS 65 Ca 0.19 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.39 1jy7 h LYS 65 Cb 0.47 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1jy7 h LYS 65 CO -0.03 0.23 -0.72 0.87 -2.27 0.00 0.00 179.45 177.52 1jy7 h LYS 66 N 0.06 0.20 -0.35 1.90 1.57 -0.61 -2.96 116.57 116.39 1jy7 h LYS 66 Ca 0.01 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1jy7 h LYS 66 Cb 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1jy7 h LYS 66 CO 0.02 0.84 -0.19 0.28 -0.57 0.00 0.00 179.45 179.83 1jy7 h VAL 67 N 0.13 1.29 0.00 0.50 2.07 -1.05 -2.57 116.25 116.62 1jy7 h VAL 67 Ca -0.02 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 1jy7 h VAL 67 Cb 1.28 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1jy7 h VAL 67 CO 0.11 0.43 -0.29 -0.07 0.02 0.00 0.00 177.57 177.77 1jy7 h LEU 68 N 0.52 0.00 -0.93 2.57 3.38 -1.55 -1.62 115.31 117.68 1jy7 h LEU 68 Ca 0.07 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1jy7 h LEU 68 Cb 0.73 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1jy7 h LEU 68 CO 0.05 0.29 0.59 1.23 0.09 0.00 0.00 178.44 180.70 1jy7 h GLY 69 N 1.04 1.40 1.82 0.83 0.00 -1.29 0.15 103.07 107.01 1jy7 h GLY 69 Ca -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1jy7 h GLY 69 CO 0.04 0.32 -0.21 0.00 0.00 0.00 0.00 176.54 176.69 1jy7 h ALA 70 N 1.42 1.42 0.01 3.60 0.00 -1.05 -1.28 119.26 123.37 1jy7 h ALA 70 Ca 0.40 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jy7 h ALA 70 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jy7 h ALA 70 CO -0.16 0.41 -0.00 0.74 0.00 0.00 0.00 179.25 180.23 1jy7 h PHE 71 N 0.20 -0.01 -1.01 0.00 -1.00 -0.90 -1.16 116.94 113.06 1jy7 h PHE 71 Ca 0.04 -0.00 0.22 0.00 2.81 0.00 0.00 57.97 61.04 1jy7 h PHE 71 Cb 0.49 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.94 1jy7 h PHE 71 CO 0.01 0.77 0.61 0.77 -1.61 0.00 0.00 178.31 178.86 1jy7 h SER 72 N -0.83 0.70 0.17 2.17 0.02 -0.70 0.65 113.55 115.73 1jy7 h SER 72 Ca -0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1jy7 h SER 72 Cb 0.79 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1jy7 h SER 72 CO 0.00 0.18 -0.08 -0.78 -1.14 0.00 0.00 176.83 175.01 1jy7 h ASP 73 N 0.64 -0.20 0.00 3.07 1.82 -1.22 -3.04 116.42 117.50 1jy7 h ASP 73 Ca 0.61 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.25 1jy7 h ASP 73 Cb 1.11 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1jy7 h ASP 73 CO -0.41 -0.12 0.09 1.23 -1.61 0.00 0.00 179.24 178.42 1jy7 h GLY 74 N -0.27 0.00 2.00 -0.78 0.00 -0.54 0.57 103.07 104.06 1jy7 h GLY 74 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1jy7 h GLY 74 CO 0.04 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.58 1jy7 h LEU 75 N 0.00 0.00 -0.98 3.11 5.85 0.37 -2.42 115.31 121.24 1jy7 h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jy7 h LEU 75 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1jy7 h LEU 75 CO 0.00 0.00 -0.38 0.00 -0.34 0.00 0.00 178.44 177.72 1jy7 n ALA 76 N -2.08 3.34 -2.54 1.25 0.00 0.18 -4.39 120.51 116.29 1jy7 n ALA 76 Ca 0.02 -0.60 -0.14 0.00 0.00 0.00 0.00 53.44 52.72 1jy7 n ALA 76 Cb 0.36 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.97 1jy7 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jy7 n HIS 77 N -0.02 2.04 0.08 0.00 8.25 -0.92 -4.91 115.22 119.74 1jy7 n HIS 77 Ca 0.11 -2.60 0.20 0.00 -0.26 0.00 0.00 57.72 55.16 1jy7 n HIS 77 Cb 0.45 -0.26 0.75 0.00 1.12 0.00 0.00 29.99 32.05 1jy7 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1jy7 h LEU 78 N 2.64 0.00 0.72 2.41 3.38 -1.75 -2.82 115.31 119.89 1jy7 h LEU 78 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1jy7 h LEU 78 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1jy7 h LEU 78 CO 0.56 0.00 -0.35 0.44 0.09 0.00 0.00 178.44 179.18 1jy7 h ASP 79 N 0.00 -0.82 -2.64 -0.43 3.45 -1.91 -3.30 116.42 110.78 1jy7 h ASP 79 Ca 0.20 0.03 -0.76 0.00 0.43 0.00 0.00 57.03 56.93 1jy7 h ASP 79 Cb 0.99 0.21 -0.31 0.00 -0.56 0.00 0.00 39.33 39.66 1jy7 h ASP 79 CO -0.00 -0.58 0.49 -3.20 -1.57 0.00 0.00 179.24 174.38 1jy7 n ASN 80 N -4.61 5.98 0.04 6.45 5.15 -1.08 -4.73 115.26 122.46 1jy7 n ASN 80 Ca -0.12 -3.48 -0.20 0.00 -0.60 0.00 0.00 54.58 50.18 1jy7 n ASN 80 Cb 0.38 -1.10 -0.12 0.00 -0.53 0.00 0.00 39.78 38.40 1jy7 n ASN 80 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1jy7 h LEU 81 N 4.87 0.63 -1.15 1.20 5.85 -1.60 -3.02 115.31 122.09 1jy7 h LEU 81 Ca 0.25 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1jy7 h LEU 81 Cb 0.57 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1jy7 h LEU 81 CO 1.19 1.39 0.00 0.29 -0.34 0.00 0.00 178.44 180.97 1jy7 n LYS 82 N -4.07 0.44 0.00 1.25 4.01 -1.26 -2.17 118.16 116.37 1jy7 n LYS 82 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 1jy7 n LYS 82 Cb 0.80 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 34.09 1jy7 n LYS 82 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jy7 n GLY 83 N 0.35 0.41 0.13 0.72 0.00 -1.23 -4.76 105.19 100.80 1jy7 n GLY 83 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1jy7 n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jy7 h THR 84 N 0.00 1.48 -0.52 2.61 2.02 -1.30 -3.03 112.91 114.16 1jy7 h THR 84 Ca 0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1jy7 h THR 84 Cb 0.00 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1jy7 h THR 84 CO 0.00 0.68 0.00 0.49 0.37 0.00 0.00 175.52 177.06 1jy7 n PHE 85 N -3.73 0.69 -0.34 3.16 3.01 -1.24 -4.60 117.46 114.41 1jy7 n PHE 85 Ca -0.02 -0.35 0.13 0.00 1.01 0.00 0.00 57.45 58.23 1jy7 n PHE 85 Cb 0.69 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.42 1jy7 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jy7 n ALA 86 N 1.23 0.46 -0.03 4.37 0.00 -1.15 -0.07 120.51 125.32 1jy7 n ALA 86 Ca 0.20 1.05 -0.15 0.00 0.00 0.00 0.00 53.44 54.54 1jy7 n ALA 86 Cb 0.51 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 19.11 1jy7 n ALA 86 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jy7 h THR 87 N 0.00 1.52 -0.03 0.00 2.02 -1.86 -2.16 112.91 112.39 1jy7 h THR 87 Ca 0.57 -1.78 0.01 0.00 0.77 0.00 0.00 66.41 65.98 1jy7 h THR 87 Cb 1.15 2.61 -0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1jy7 h THR 87 CO -0.93 0.49 0.04 -0.07 0.37 0.00 0.00 175.52 175.42 1jy7 h LEU 88 N -0.47 0.00 0.50 2.58 3.38 -1.66 0.44 115.31 120.07 1jy7 h LEU 88 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1jy7 h LEU 88 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1jy7 h LEU 88 CO 0.04 0.00 -0.24 -1.28 0.09 0.00 0.00 178.44 177.05 1jy7 h SER 89 N 0.00 -0.56 -1.00 -0.43 0.87 -0.40 0.37 113.55 112.39 1jy7 h SER 89 Ca 0.02 0.02 0.17 0.00 -1.23 0.00 0.00 61.79 60.76 1jy7 h SER 89 Cb 0.10 0.15 -0.10 0.00 -0.44 0.00 0.00 62.40 62.10 1jy7 h SER 89 CO -0.00 -0.21 0.62 -0.08 -0.53 0.00 0.00 176.83 176.63 1jy7 h GLU 90 N -1.06 0.80 0.31 2.24 4.81 -0.69 0.17 114.58 121.16 1jy7 h GLU 90 Ca -0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1jy7 h GLU 90 Cb 0.51 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1jy7 h GLU 90 CO 0.11 0.53 -0.15 1.25 -0.73 0.00 0.00 179.01 180.02 1jy7 h LEU 91 N 0.82 -0.36 -2.62 1.64 5.85 -0.07 -2.62 115.31 117.96 1jy7 h LEU 91 Ca 0.55 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.28 1jy7 h LEU 91 Cb 0.78 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1jy7 h LEU 91 CO -0.34 -0.23 -0.01 0.45 -0.34 0.00 0.00 178.44 177.97 1jy7 h HIS 92 N -0.47 0.00 0.04 1.25 3.86 -0.76 -1.55 115.15 117.52 1jy7 h HIS 92 Ca -0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jy7 h HIS 92 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1jy7 h HIS 92 CO 0.13 0.01 -0.02 0.00 0.86 0.00 0.00 177.93 178.91 1jy7 n ASP 94 N -4.33 2.22 -0.14 0.00 5.75 -0.99 -3.36 116.55 115.71 1jy7 n ASP 94 Ca -0.01 -1.61 -0.29 0.00 -0.01 0.00 0.00 54.79 52.88 1jy7 n ASP 94 Cb 0.02 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 1jy7 n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jy7 n LYS 95 N 0.68 0.58 -0.01 0.11 4.76 -0.65 -4.71 118.16 118.92 1jy7 n LYS 95 Ca 0.08 0.25 0.10 0.00 -2.87 0.00 0.00 58.31 55.87 1jy7 n LYS 95 Cb 0.34 -1.47 -0.16 0.00 -1.84 0.00 0.00 35.03 31.90 1jy7 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jy7 n LEU 96 N -4.19 0.00 -3.29 -0.35 4.77 -0.79 -5.03 117.00 108.13 1jy7 n LEU 96 Ca -0.53 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 1jy7 n LEU 96 Cb 0.88 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.05 1jy7 n LEU 96 CO 0.04 0.00 0.04 1.41 -1.33 0.00 0.00 177.39 177.55 1jy7 n HIS 97 N -2.19 -2.41 -3.66 -1.77 8.25 -1.07 -5.00 115.22 107.37 1jy7 n HIS 97 Ca -0.04 0.87 -0.36 0.00 -0.26 0.00 0.00 57.72 57.94 1jy7 n HIS 97 Cb 0.52 -4.32 -0.09 0.00 1.12 0.00 0.00 29.99 27.23 1jy7 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jy7 s VAL 98 N -3.39 5.36 0.20 1.59 1.01 -0.83 -5.05 120.40 119.29 1jy7 s VAL 98 Ca 0.37 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1jy7 s VAL 98 Cb -0.05 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1jy7 s VAL 98 CO 0.74 0.37 1.43 -0.62 0.00 0.00 0.00 175.10 177.03 1jy7 s ASP 99 N 0.78 6.71 0.45 3.32 2.15 -1.26 -4.84 116.67 123.98 1jy7 s ASP 99 Ca 0.09 2.56 0.19 0.00 0.43 0.00 0.00 52.55 55.82 1jy7 s ASP 99 Cb -0.13 -2.61 1.16 0.00 -0.30 0.00 0.00 42.92 41.04 1jy7 s ASP 99 CO 0.02 -0.68 1.92 1.55 -0.17 0.00 0.00 175.17 177.81 1jy7 h PRO 100 N 5.69 0.29 -1.10 4.34 0.13 -1.97 -1.76 132.00 137.62 1jy7 h PRO 100 Ca -0.45 -0.02 0.30 0.00 -0.87 0.00 0.00 66.00 64.97 1jy7 h PRO 100 Cb 1.21 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 1jy7 h PRO 100 CO 0.81 0.19 0.72 1.49 -0.23 0.00 0.00 178.00 180.99 1jy7 h GLU 101 N 0.30 0.27 0.00 0.86 4.57 -2.01 0.91 114.58 119.49 1jy7 h GLU 101 Ca 0.37 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1jy7 h GLU 101 Cb 1.00 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1jy7 h GLU 101 CO -0.10 0.18 -0.13 -0.91 -1.18 0.00 0.00 179.01 176.88 1jy7 h ASN 102 N 0.28 0.00 -0.39 1.04 -0.26 -1.69 -1.67 115.58 112.89 1jy7 h ASN 102 Ca 0.61 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.23 1jy7 h ASN 102 Cb 1.77 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.02 1jy7 h ASN 102 CO -0.26 0.13 -0.23 -0.26 -1.06 0.00 0.00 177.43 175.76 1jy7 h PHE 103 N 0.00 0.98 -0.84 1.19 0.04 0.71 -2.64 116.94 116.39 1jy7 h PHE 103 Ca -0.00 -0.25 0.07 0.00 2.80 0.00 0.00 57.97 60.58 1jy7 h PHE 103 Cb 0.36 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 1jy7 h PHE 103 CO 0.00 1.03 0.51 0.00 -0.60 0.00 0.00 178.31 179.25 1jy7 h ARG 104 N 0.65 0.88 0.23 1.51 3.08 -1.25 -2.18 114.38 117.29 1jy7 h ARG 104 Ca 0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1jy7 h ARG 104 Cb 0.79 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1jy7 h ARG 104 CO 0.06 0.58 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.32 1jy7 h LEU 105 N 0.91 -0.41 -1.85 3.04 3.38 -1.21 -2.23 115.31 116.94 1jy7 h LEU 105 Ca 0.38 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1jy7 h LEU 105 Cb 0.23 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jy7 h LEU 105 CO -0.19 -0.26 -0.05 0.25 0.09 0.00 0.00 178.44 178.28 1jy7 h LEU 106 N -0.39 0.03 -0.49 1.67 5.85 -1.24 -2.38 115.31 118.36 1jy7 h LEU 106 Ca -0.02 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1jy7 h LEU 106 Cb 0.34 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1jy7 h LEU 106 CO 0.00 0.09 0.25 1.23 -0.34 0.00 0.00 178.44 179.67 1jy7 h GLY 107 N 0.22 0.75 1.49 3.75 0.00 -0.81 -2.86 103.07 105.62 1jy7 h GLY 107 Ca 0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1jy7 h GLY 107 CO 0.01 0.34 -0.50 3.43 0.00 0.00 0.00 176.54 179.82 1jy7 h ASN 108 N 0.65 0.59 0.67 0.19 -0.26 -1.04 -3.08 115.58 113.30 1jy7 h ASN 108 Ca 0.17 -0.30 -0.07 0.00 -0.56 0.00 0.00 56.30 55.55 1jy7 h ASN 108 Cb 0.09 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1jy7 h ASN 108 CO -0.02 0.99 -0.31 -0.37 -1.06 0.00 0.00 177.43 176.66 1jy7 h VAL 109 N 0.43 0.86 -0.54 2.81 -1.51 -1.46 -1.52 116.25 115.32 1jy7 h VAL 109 Ca 0.02 -1.25 -0.10 0.00 -1.23 0.00 0.00 66.70 64.14 1jy7 h VAL 109 Cb 1.02 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.92 1jy7 h VAL 109 CO 0.09 0.30 -0.07 0.25 -1.23 0.00 0.00 177.57 176.92 1jy7 h LEU 110 N 0.00 1.00 -0.28 4.19 6.46 -1.43 -0.79 115.31 124.45 1jy7 h LEU 110 Ca -0.00 -0.34 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1jy7 h LEU 110 Cb 0.73 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1jy7 h LEU 110 CO 0.04 1.10 0.17 0.58 -0.62 0.00 0.00 178.44 179.70 1jy7 h VAL 111 N 0.87 1.11 -0.85 1.05 2.07 -1.31 -0.43 116.25 118.76 1jy7 h VAL 111 Ca 0.14 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1jy7 h VAL 111 Cb 0.63 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1jy7 h VAL 111 CO 0.04 0.10 0.56 0.00 0.02 0.00 0.00 177.57 178.29 1jy7 h VAL 113 N 0.96 1.33 -0.70 0.00 2.07 -0.53 -1.91 116.25 117.47 1jy7 h VAL 113 Ca 0.36 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1jy7 h VAL 113 Cb 0.19 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1jy7 h VAL 113 CO -0.13 0.45 0.46 -0.07 0.02 0.00 0.00 177.57 178.30 1jy7 h LEU 114 N 0.23 0.80 -1.70 2.57 3.38 -0.65 0.38 115.31 120.33 1jy7 h LEU 114 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jy7 h LEU 114 Cb 0.83 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jy7 h LEU 114 CO 0.06 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1jy7 h ALA 115 N 1.25 1.00 -0.03 1.53 0.00 -1.24 -1.69 119.26 120.09 1jy7 h ALA 115 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1jy7 h ALA 115 Cb -0.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jy7 h ALA 115 CO -0.05 0.00 -0.55 1.25 0.00 0.00 0.00 179.25 179.89 1jy7 h HIS 116 N 0.00 0.61 0.16 0.00 -0.00 -0.09 -3.22 115.15 112.61 1jy7 h HIS 116 Ca 0.00 -0.31 -0.29 0.00 -0.00 0.00 0.00 60.37 59.77 1jy7 h HIS 116 Cb 0.39 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1jy7 h HIS 116 CO 0.00 1.11 -1.40 0.45 -0.00 0.00 0.00 177.93 178.10 1jy7 h HIS 117 N -0.07 0.62 0.00 5.26 3.86 -1.22 -3.32 115.15 120.28 1jy7 h HIS 117 Ca -0.06 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1jy7 h HIS 117 Cb 1.25 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1jy7 h HIS 117 CO 0.14 1.54 0.00 1.19 0.86 0.00 0.00 177.93 181.66 1jy7 n PHE 118 N -3.85 0.00 0.00 2.45 0.99 -0.65 -4.90 117.46 111.50 1jy7 n PHE 118 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 1jy7 n PHE 118 Cb 0.96 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 39.39 1jy7 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jy7 n GLY 119 N 0.21 0.39 0.31 1.37 0.00 -1.22 0.11 105.19 106.36 1jy7 n GLY 119 Ca 0.00 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1jy7 n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jy7 n LYS 120 N 0.00 1.06 0.23 1.61 5.02 -1.26 -3.76 118.16 121.05 1jy7 n LYS 120 Ca 0.00 -0.62 0.12 0.00 -2.02 0.00 0.00 58.31 55.79 1jy7 n LYS 120 Cb 0.00 -1.49 0.25 0.00 -0.02 0.00 0.00 35.03 33.77 1jy7 n LYS 120 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1jy7 h GLU 121 N 1.52 0.00 -5.45 1.97 5.08 0.32 -3.38 114.58 114.64 1jy7 h GLU 121 Ca 0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 1jy7 h GLU 121 Cb 0.51 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 1jy7 h GLU 121 CO 0.00 0.02 2.00 0.34 -1.00 0.00 0.00 179.01 180.37 1jy7 n PHE 122 N -3.11 4.69 -2.01 4.33 7.35 -1.17 -4.97 117.46 122.58 1jy7 n PHE 122 Ca 0.03 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 1jy7 n PHE 122 Cb 0.50 -2.50 0.02 0.00 0.35 0.00 0.00 39.48 37.86 1jy7 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jy7 s THR 123 N 3.38 4.15 0.26 -2.13 -4.23 -1.26 -4.80 115.64 111.01 1jy7 s THR 123 Ca 0.50 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1jy7 s THR 123 Cb 0.02 -3.68 0.24 0.00 1.34 0.00 0.00 72.50 70.43 1jy7 s THR 123 CO 0.05 -0.85 1.72 -0.65 -0.54 0.00 0.00 174.62 174.35 1jy7 h PRO 124 N -0.38 0.43 0.00 3.99 0.11 -1.97 0.36 132.00 134.54 1jy7 h PRO 124 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1jy7 h PRO 124 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jy7 h PRO 124 CO 0.63 0.28 -0.15 -1.35 -0.21 0.00 0.00 178.00 177.19 1jy7 h PRO 125 N 0.44 0.00 0.02 1.05 0.11 -1.99 0.02 132.00 131.65 1jy7 h PRO 125 Ca 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.56 1jy7 h PRO 125 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1jy7 h PRO 125 CO -0.44 0.15 -0.01 0.28 -0.21 0.00 0.00 178.00 177.78 1jy7 h VAL 126 N 0.00 1.50 -0.45 3.15 2.07 -0.78 -2.82 116.25 118.91 1jy7 h VAL 126 Ca -0.00 -1.80 0.08 0.00 0.82 0.00 0.00 66.70 65.81 1jy7 h VAL 126 Cb 0.31 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 1jy7 h VAL 126 CO 0.02 0.45 -0.00 -0.61 0.02 0.00 0.00 177.57 177.45 1jy7 h GLN 127 N -0.83 0.11 -0.99 1.57 4.15 -0.55 0.79 115.11 119.35 1jy7 h GLN 127 Ca -0.00 -0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.55 1jy7 h GLN 127 Cb 0.75 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.33 1jy7 h GLN 127 CO 0.00 0.07 0.62 0.00 -1.93 0.00 0.00 178.83 177.60 1jy7 h ALA 128 N 1.40 1.58 0.39 3.38 0.00 -1.06 -0.06 119.26 124.89 1jy7 h ALA 128 Ca 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1jy7 h ALA 128 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jy7 h ALA 128 CO -0.37 0.15 -0.19 0.00 0.00 0.00 0.00 179.25 178.83 1jy7 h ALA 129 N 1.56 -0.53 -0.64 0.00 0.00 -0.66 -3.20 119.26 115.80 1jy7 h ALA 129 Ca 0.51 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.35 1jy7 h ALA 129 Cb 0.59 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1jy7 h ALA 129 CO -0.28 -0.59 0.43 1.88 0.00 0.00 0.00 179.25 180.69 1jy7 h TYR 130 N -0.94 0.38 -0.57 0.00 0.05 -0.71 -0.72 116.97 114.46 1jy7 h TYR 130 Ca -0.05 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.77 1jy7 h TYR 130 Cb 0.55 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 1jy7 h TYR 130 CO 0.02 0.17 0.38 1.96 -1.05 0.00 0.00 178.16 179.64 1jy7 h GLN 131 N 0.35 0.63 -0.17 4.88 1.08 -1.01 -1.00 115.11 119.86 1jy7 h GLN 131 Ca 0.30 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.38 1jy7 h GLN 131 Cb 0.71 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1jy7 h GLN 131 CO -0.08 0.42 -0.23 0.87 -0.95 0.00 0.00 178.83 178.86 1jy7 h LYS 132 N 0.65 0.46 0.46 1.46 1.57 -1.15 -1.80 116.57 118.21 1jy7 h LYS 132 Ca 0.23 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1jy7 h LYS 132 Cb 0.10 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1jy7 h LYS 132 CO -0.06 0.85 -0.43 0.28 -0.57 0.00 0.00 179.45 179.52 1jy7 h VAL 133 N 0.10 0.00 -0.90 0.50 2.07 -1.29 -1.41 116.25 115.32 1jy7 h VAL 133 Ca 0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.79 1jy7 h VAL 133 Cb 0.79 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.41 1jy7 h VAL 133 CO 0.05 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.41 1jy7 h VAL 134 N -0.88 0.23 -0.51 2.57 2.07 -1.25 0.76 116.25 119.24 1jy7 h VAL 134 Ca -0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1jy7 h VAL 134 Cb 0.76 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1jy7 h VAL 134 CO -0.04 0.03 0.27 0.00 0.02 0.00 0.00 177.57 177.84 1jy7 h ALA 135 N 1.84 0.65 -0.54 1.67 0.00 -0.73 -2.01 119.26 120.15 1jy7 h ALA 135 Ca 0.57 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 1jy7 h ALA 135 Cb 1.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1jy7 h ALA 135 CO -0.73 0.19 -0.02 0.78 0.00 0.00 0.00 179.25 179.48 1jy7 h GLY 136 N 0.68 1.03 0.71 0.00 0.00 0.16 -0.30 103.07 105.35 1jy7 h GLY 136 Ca 0.18 -0.77 0.07 0.00 0.00 0.00 0.00 47.33 46.80 1jy7 h GLY 136 CO -0.03 0.71 0.64 -2.08 0.00 0.00 0.00 176.54 175.78 1jy7 h VAL 137 N 0.83 1.07 0.02 4.60 2.07 -1.02 -0.04 116.25 123.77 1jy7 h VAL 137 Ca 0.15 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1jy7 h VAL 137 Cb 0.56 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1jy7 h VAL 137 CO 0.03 0.21 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 1jy7 h ALA 138 N 1.46 -0.02 -0.98 1.67 0.00 -1.10 -3.15 119.26 117.13 1jy7 h ALA 138 Ca 0.43 -0.35 0.26 0.00 0.00 0.00 0.00 54.91 55.26 1jy7 h ALA 138 Cb 0.20 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1jy7 h ALA 138 CO -0.18 -0.15 0.67 -0.97 0.00 0.00 0.00 179.25 178.62 1jy7 h ASN 139 N -0.75 0.24 0.11 0.00 -0.73 -0.70 -1.56 115.58 112.19 1jy7 h ASN 139 Ca -0.00 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 1jy7 h ASN 139 Cb 0.70 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.29 1jy7 h ASN 139 CO 0.00 0.07 -0.05 0.00 -0.37 0.00 0.00 177.43 177.08 1jy7 h ALA 140 N 1.57 -0.15 -0.01 1.57 0.00 -1.03 -3.05 119.26 118.16 1jy7 h ALA 140 Ca 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jy7 h ALA 140 Cb 1.58 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1jy7 h ALA 140 CO -0.14 -0.42 0.01 -0.07 0.00 0.00 0.00 179.25 178.63 1jy7 h LEU 141 N -0.47 0.00 0.00 0.00 3.38 -1.25 -1.30 115.31 115.67 1jy7 h LEU 141 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jy7 h LEU 141 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1jy7 h LEU 141 CO 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.34 1jy7 n ALA 142 N -2.52 2.52 -0.24 1.53 0.00 -1.11 -4.01 120.51 116.69 1jy7 n ALA 142 Ca -0.03 -0.11 0.22 0.00 0.00 0.00 0.00 53.44 53.53 1jy7 n ALA 142 Cb 0.10 -1.36 0.57 0.00 0.00 0.00 0.00 19.45 18.75 1jy7 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jy7 h HIS 143 N 0.00 0.42 -0.57 0.00 6.17 -1.11 -1.75 115.15 118.31 1jy7 h HIS 143 Ca 0.00 0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.20 1jy7 h HIS 143 Cb 0.73 -0.13 -0.09 0.00 2.52 0.00 0.00 27.41 30.45 1jy7 h HIS 143 CO 0.00 0.09 0.07 -0.22 0.71 0.00 0.00 177.93 178.59 1jy7 h LYS 144 N 0.30 0.19 0.00 5.26 1.63 -1.76 -3.24 116.57 118.95 1jy7 h LYS 144 Ca 0.48 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1jy7 h LYS 144 Cb 1.36 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1jy7 h LYS 144 CO -0.15 0.13 0.00 0.66 -3.45 0.00 0.00 179.45 176.64 1jy7 n TYR 145 N -5.18 0.00 1.24 1.91 4.01 -0.66 -5.07 117.16 113.41 1jy7 n TYR 145 Ca 0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.92 1jy7 n TYR 145 Cb 0.31 -0.35 0.59 0.00 -0.31 0.00 0.00 39.34 39.58 1jy7 n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01