#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 -1.71 6.34 -0.00 -1.26 -5.13 115.22 113.46 1jy7 n HIS 2 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.72 57.12 1jy7 n HIS 2 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 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 2.07 -4.86 0.27 4.77 -1.26 -4.94 117.00 113.06 1jy7 n LEU 3 Ca 0.00 1.10 -0.33 0.00 -0.03 0.00 0.00 56.01 56.76 1jy7 n LEU 3 Cb 0.00 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 1jy7 n LEU 3 CO 0.00 -0.56 0.31 0.42 -1.33 0.00 0.00 177.39 176.23 1jy7 s THR 4 N 3.30 4.81 0.00 -5.08 -4.23 -1.26 -4.60 115.64 108.57 1jy7 s THR 4 Ca 0.99 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 62.23 1jy7 s THR 4 Cb -1.17 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 69.04 1jy7 s THR 4 CO 0.69 -0.07 0.00 -2.65 -0.54 0.00 0.00 174.62 172.05 1jy7 n PRO 5 N -0.10 0.00 0.05 3.99 -0.02 -1.26 0.32 135.00 137.99 1jy7 n PRO 5 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1jy7 n PRO 5 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 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 -0.06 0.00 -0.52 9.09 -1.99 -1.70 114.58 119.41 1jy7 h GLU 6 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.45 1jy7 h GLU 6 Cb 0.00 0.01 -0.05 0.00 -1.65 0.00 0.00 28.75 27.06 1jy7 h GLU 6 CO 0.00 0.04 -0.37 0.93 0.05 0.00 0.00 179.01 179.66 1jy7 h GLU 7 N -0.14 -0.51 -0.96 1.06 5.08 -0.50 1.84 114.58 120.46 1jy7 h GLU 7 Ca -0.01 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1jy7 h GLU 7 Cb 0.12 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.32 1jy7 h GLU 7 CO 0.01 -0.34 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.12 1jy7 h LYS 8 N -0.53 -0.01 0.09 2.33 1.63 -0.71 0.14 116.57 119.51 1jy7 h LYS 8 Ca 0.05 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.68 1jy7 h LYS 8 Cb 0.61 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1jy7 h LYS 8 CO -0.29 -0.01 -0.72 0.66 -3.45 0.00 0.00 179.45 175.64 1jy7 h SER 9 N -0.01 0.47 -0.71 4.20 4.64 -0.39 -3.24 113.55 118.52 1jy7 h SER 9 Ca 0.37 -0.89 0.15 0.00 -0.47 0.00 0.00 61.79 60.94 1jy7 h SER 9 Cb 0.62 -0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 62.46 1jy7 h SER 9 CO -0.97 1.32 0.19 0.00 -0.87 0.00 0.00 176.83 176.50 1jy7 h ALA 10 N 0.16 0.91 -0.25 5.18 0.00 0.38 1.06 119.26 126.70 1jy7 h ALA 10 Ca -0.12 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jy7 h ALA 10 Cb 1.52 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1jy7 h ALA 10 CO 0.14 -0.31 0.12 0.28 0.00 0.00 0.00 179.25 179.48 1jy7 h VAL 11 N 0.30 0.99 0.00 0.00 2.07 -0.87 -1.94 116.25 116.79 1jy7 h VAL 11 Ca 0.39 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.73 1jy7 h VAL 11 Cb 0.64 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1jy7 h VAL 11 CO -0.47 0.05 -0.44 0.71 0.02 0.00 0.00 177.57 177.44 1jy7 h THR 12 N 0.26 1.26 0.26 2.57 1.35 -1.18 -2.85 112.91 114.58 1jy7 h THR 12 Ca 0.10 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1jy7 h THR 12 Cb 0.03 1.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.24 1jy7 h THR 12 CO -0.07 0.43 -0.51 0.00 -0.25 0.00 0.00 175.52 175.11 1jy7 h ALA 13 N 1.56 -1.02 0.14 6.62 0.00 0.19 -3.02 119.26 123.73 1jy7 h ALA 13 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jy7 h ALA 13 Cb 0.79 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1jy7 h ALA 13 CO 0.06 -1.13 -0.07 -0.07 0.00 0.00 0.00 179.25 178.04 1jy7 h LEU 14 N -0.84 -0.15 -1.35 0.00 3.38 -1.52 -3.15 115.31 111.68 1jy7 h LEU 14 Ca -0.02 -0.12 0.38 0.00 0.09 0.00 0.00 57.88 58.20 1jy7 h LEU 14 Cb 0.80 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1jy7 h LEU 14 CO -0.21 0.03 1.27 -0.25 0.09 0.00 0.00 178.44 179.38 1jy7 h TRP 15 N -0.34 0.00 -0.01 1.13 2.91 -1.41 0.79 115.95 119.03 1jy7 h TRP 15 Ca -0.02 0.00 -0.22 0.00 1.13 0.00 0.00 58.89 59.78 1jy7 h TRP 15 Cb 0.27 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1jy7 h TRP 15 CO -0.02 0.00 -0.92 0.78 -1.03 0.00 0.00 178.44 177.25 1jy7 h GLY 16 N 0.00 0.49 -0.68 2.65 0.00 -1.48 -3.14 103.07 100.91 1jy7 h GLY 16 Ca 0.62 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1jy7 h GLY 16 CO -0.01 0.74 0.00 0.28 0.00 0.00 0.00 176.54 177.55 1jy7 n LYS 17 N -3.77 1.37 -2.90 4.80 5.02 0.28 -4.83 118.16 118.13 1jy7 n LYS 17 Ca -0.07 -0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 55.34 1jy7 n LYS 17 Cb 0.82 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.71 4.71 -0.56 -0.18 1.01 -1.18 -4.98 120.40 117.51 1jy7 s VAL 18 Ca 0.08 1.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 1jy7 s VAL 18 Cb 0.05 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1jy7 s VAL 18 CO 0.05 -0.37 2.05 0.21 0.00 0.00 0.00 175.10 177.04 1jy7 s ASN 19 N 1.73 4.99 0.55 3.32 3.84 -1.26 -4.83 114.94 123.28 1jy7 s ASN 19 Ca 0.34 0.63 0.24 0.00 0.21 0.00 0.00 52.86 54.28 1jy7 s ASN 19 Cb -0.13 -2.52 1.48 0.00 -0.55 0.00 0.00 41.25 39.53 1jy7 s ASN 19 CO 0.15 -2.54 2.10 1.62 -2.79 0.00 0.00 177.10 175.65 1jy7 h VAL 20 N 7.17 0.71 -0.40 -5.21 3.04 -1.95 -2.39 116.25 117.21 1jy7 h VAL 20 Ca -0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1jy7 h VAL 20 Cb 1.20 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1jy7 h VAL 20 CO 1.19 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.22 1jy7 n ASP 21 N -4.20 2.86 0.02 3.17 8.00 -1.26 -4.22 116.55 120.93 1jy7 n ASP 21 Ca 0.02 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.32 1jy7 n ASP 21 Cb 0.30 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.63 0.00 -0.27 -1.24 -0.58 -0.91 -4.79 120.64 113.48 1jy7 n GLU 22 Ca 0.15 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.96 1jy7 n GLU 22 Cb 0.53 -0.15 0.18 0.00 -0.57 0.00 0.00 31.44 31.43 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 0.30 -0.18 2.62 2.07 -1.77 -0.49 116.25 118.80 1jy7 h VAL 23 Ca 0.00 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1jy7 h VAL 23 Cb 0.00 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1jy7 h VAL 23 CO 0.00 0.02 -0.11 1.23 0.02 0.00 0.00 177.57 178.73 1jy7 h GLY 24 N 0.11 0.04 1.73 2.17 0.00 -1.78 -1.02 103.07 104.32 1jy7 h GLY 24 Ca 0.45 0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.78 1jy7 h GLY 24 CO -0.69 -0.13 -0.50 -1.33 0.00 0.00 0.00 176.54 173.90 1jy7 h GLY 25 N -0.10 0.32 1.35 4.60 0.00 -1.52 -2.70 103.07 105.02 1jy7 h GLY 25 Ca 0.11 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 1jy7 h GLY 25 CO -0.25 0.31 -0.35 -2.09 0.00 0.00 0.00 176.54 174.16 1jy7 h GLU 26 N 0.23 0.72 -0.15 4.80 4.81 -0.75 -1.58 114.58 122.66 1jy7 h GLU 26 Ca 0.01 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 58.77 1jy7 h GLU 26 Cb 0.96 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1jy7 h GLU 26 CO 0.08 0.96 -0.39 0.00 -0.73 0.00 0.00 179.01 178.93 1jy7 h ALA 27 N 1.00 0.26 -0.13 2.92 0.00 -1.18 -1.97 119.26 120.15 1jy7 h ALA 27 Ca 0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1jy7 h ALA 27 Cb 0.88 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1jy7 h ALA 27 CO 0.08 0.35 -0.17 1.25 0.00 0.00 0.00 179.25 180.76 1jy7 h LEU 28 N 0.17 0.21 0.31 0.00 7.12 -1.49 -2.83 115.31 118.80 1jy7 h LEU 28 Ca -0.01 -0.05 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 1jy7 h LEU 28 Cb 1.00 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 1jy7 h LEU 28 CO 0.09 0.40 -0.15 1.23 -0.13 0.00 0.00 178.44 179.88 1jy7 h GLY 29 N 0.80 -0.43 0.46 3.75 0.00 -1.23 -3.22 103.07 103.20 1jy7 h GLY 29 Ca 0.04 0.16 0.17 0.00 0.00 0.00 0.00 47.33 47.69 1jy7 h GLY 29 CO 0.03 -0.16 0.57 3.21 0.00 0.00 0.00 176.54 180.19 1jy7 h ARG 30 N -0.92 0.55 -0.60 4.80 3.08 -1.35 -1.12 114.38 118.83 1jy7 h ARG 30 Ca -0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1jy7 h ARG 30 Cb 0.51 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1jy7 h ARG 30 CO 0.07 0.37 0.33 1.25 -1.07 0.00 0.00 179.97 180.92 1jy7 h LEU 31 N 0.57 0.51 -1.40 3.04 5.85 -1.56 0.16 115.31 122.49 1jy7 h LEU 31 Ca 0.45 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.14 1jy7 h LEU 31 Cb 0.88 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1jy7 h LEU 31 CO -0.20 0.35 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.91 1jy7 h LEU 32 N 0.64 0.00 0.00 2.25 3.38 -1.22 -1.13 115.31 119.23 1jy7 h LEU 32 Ca 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1jy7 h LEU 32 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jy7 h LEU 32 CO -0.15 0.26 -0.45 0.58 0.09 0.00 0.00 178.44 178.78 1jy7 h VAL 33 N 0.00 1.31 -0.21 1.22 2.07 -1.02 -3.30 116.25 116.32 1jy7 h VAL 33 Ca -0.00 -2.15 -0.12 0.00 0.82 0.00 0.00 66.70 65.25 1jy7 h VAL 33 Cb 0.61 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1jy7 h VAL 33 CO 0.03 0.44 -0.37 0.58 0.02 0.00 0.00 177.57 178.27 1jy7 h VAL 34 N -1.00 1.30 -2.83 2.57 2.07 -0.76 -3.36 116.25 114.24 1jy7 h VAL 34 Ca -0.12 -1.50 -0.61 0.00 0.82 0.00 0.00 66.70 65.29 1jy7 h VAL 34 Cb 1.02 1.54 -0.41 0.00 -1.52 0.00 0.00 31.29 31.92 1jy7 h VAL 34 CO -0.07 0.47 -0.68 -1.22 0.02 0.00 0.00 177.57 176.08 1jy7 n TYR 35 N -4.05 2.24 -0.33 1.57 4.01 -0.43 -5.00 117.16 115.18 1jy7 n TYR 35 Ca -0.01 -4.05 0.29 0.00 -0.16 0.00 0.00 57.90 53.96 1jy7 n TYR 35 Cb 0.48 -0.41 0.55 0.00 -0.31 0.00 0.00 39.34 39.65 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 5.32 0.13 0.00 -0.72 0.11 -1.72 -2.48 132.00 132.64 1jy7 h PRO 36 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jy7 h PRO 36 Cb 0.78 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1jy7 h PRO 36 CO 0.64 0.09 0.00 -2.67 -0.21 0.00 0.00 178.00 175.85 1jy7 n TRP 37 N -5.16 0.40 1.27 0.65 2.14 -1.26 -1.46 117.44 114.02 1jy7 n TRP 37 Ca 0.35 0.20 0.14 0.00 2.07 0.00 0.00 57.50 60.27 1jy7 n TRP 37 Cb 1.17 -0.82 0.65 0.00 -0.81 0.00 0.00 31.31 31.50 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 -1.90 0.00 0.16 -1.67 -2.24 -0.93 -3.20 114.28 104.49 1jy7 n THR 38 Ca -0.00 -0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1jy7 n THR 38 Cb 0.04 -0.35 0.23 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.13 0.00 -1.13 -0.78 4.20 -1.48 -3.00 115.11 113.05 1jy7 h GLN 39 Ca 0.00 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.03 1jy7 h GLN 39 Cb 0.38 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.06 1jy7 h GLN 39 CO 0.00 0.53 0.75 -0.09 -0.67 0.00 0.00 178.83 179.34 1jy7 h ARG 40 N 0.00 0.25 0.00 1.46 2.43 -1.75 0.22 114.38 116.99 1jy7 h ARG 40 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1jy7 h ARG 40 Cb 1.02 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1jy7 h ARG 40 CO 0.07 0.17 -0.01 0.74 -1.51 0.00 0.00 179.97 179.42 1jy7 h PHE 41 N 0.26 0.00 -2.05 2.20 -1.00 -1.78 -3.36 116.94 111.21 1jy7 h PHE 41 Ca 0.64 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.82 1jy7 h PHE 41 Cb 1.88 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 41.03 1jy7 h PHE 41 CO -0.00 0.01 -0.56 1.19 -1.61 0.00 0.00 178.31 177.34 1jy7 n PHE 42 N -3.10 3.80 0.06 -0.55 3.01 0.76 -4.81 117.46 116.63 1jy7 n PHE 42 Ca 0.03 -3.64 -0.13 0.00 1.01 0.00 0.00 57.45 54.72 1jy7 n PHE 42 Cb 0.48 -0.41 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 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 2.91 -0.13 -0.03 -1.08 5.08 -1.72 -3.15 114.58 116.46 1jy7 h GLU 43 Ca 0.21 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1jy7 h GLU 43 Cb 0.61 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1jy7 h GLU 43 CO 0.86 0.13 0.55 0.66 -1.00 0.00 0.00 179.01 180.22 1jy7 h SER 44 N -0.40 0.00 0.85 1.42 4.64 -1.93 -1.36 113.55 116.77 1jy7 h SER 44 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jy7 h SER 44 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1jy7 h SER 44 CO 0.02 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.47 1jy7 n PHE 45 N -2.80 0.34 0.00 4.77 0.99 -1.19 -5.01 117.46 114.55 1jy7 n PHE 45 Ca -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 1jy7 n PHE 45 Cb 0.60 -0.69 0.00 0.00 -1.00 0.00 0.00 39.48 38.39 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 0.63 0.89 3.66 1.37 0.00 -0.52 -4.89 105.19 106.34 1jy7 n GLY 46 Ca 0.05 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 7.04 -0.08 1.61 3.68 -1.26 -4.87 116.67 118.79 1jy7 s ASP 47 Ca 0.00 1.30 0.24 0.00 2.13 0.00 0.00 52.55 56.22 1jy7 s ASP 47 Cb 0.00 -2.51 0.45 0.00 -1.45 0.00 0.00 42.92 39.41 1jy7 s ASP 47 CO 0.00 -0.56 1.16 0.18 0.13 0.00 0.00 175.17 176.07 1jy7 n LEU 48 N 5.89 1.31 0.21 -1.34 4.77 -1.26 -4.36 117.00 122.23 1jy7 n LEU 48 Ca 0.09 -2.41 -0.09 0.00 -0.03 0.00 0.00 56.01 53.56 1jy7 n LEU 48 Cb 0.47 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 1jy7 n LEU 48 CO 0.50 0.71 0.25 -1.28 -1.33 0.00 0.00 177.39 176.24 1jy7 h SER 49 N 1.44 -0.51 -2.91 -1.43 0.87 -1.93 -3.46 113.55 105.62 1jy7 h SER 49 Ca -0.18 0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.77 1jy7 h SER 49 Cb 1.69 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.74 1jy7 h SER 49 CO 0.13 -0.11 -0.48 0.42 -0.53 0.00 0.00 176.83 176.26 1jy7 s THR 50 N -3.52 5.38 0.58 2.23 -4.23 -1.26 -4.98 115.64 109.82 1jy7 s THR 50 Ca -0.09 -0.30 0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1jy7 s THR 50 Cb 0.01 -3.61 0.40 0.00 1.34 0.00 0.00 72.50 70.64 1jy7 s THR 50 CO 0.27 0.17 1.89 1.55 -0.54 0.00 0.00 174.62 177.96 1jy7 h PRO 51 N 3.20 0.00 0.01 3.99 0.13 -2.00 0.28 132.00 137.61 1jy7 h PRO 51 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 1jy7 h PRO 51 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1jy7 h PRO 51 CO 0.74 0.00 -0.98 -0.44 -0.23 0.00 0.00 178.00 177.10 1jy7 h ASP 52 N 0.00 0.61 -0.85 1.44 3.32 -1.98 -2.17 116.42 116.79 1jy7 h ASP 52 Ca 0.26 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1jy7 h ASP 52 Cb 1.30 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1jy7 h ASP 52 CO -0.00 1.30 0.50 0.00 -1.72 0.00 0.00 179.24 179.32 1jy7 h ALA 53 N 0.66 1.27 0.49 3.45 0.00 -0.80 0.17 119.26 124.49 1jy7 h ALA 53 Ca -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1jy7 h ALA 53 Cb 1.62 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jy7 h ALA 53 CO 0.17 0.62 -0.23 0.28 0.00 0.00 0.00 179.25 180.09 1jy7 h VAL 54 N 1.19 0.35 0.00 0.00 2.07 -1.33 -3.08 116.25 115.45 1jy7 h VAL 54 Ca 0.31 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1jy7 h VAL 54 Cb -0.03 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1jy7 h VAL 54 CO -0.05 0.06 -0.00 0.24 0.02 0.00 0.00 177.57 177.83 1jy7 h MET 55 N -1.00 0.00 -0.88 1.57 2.07 -1.20 -2.42 114.93 113.08 1jy7 h MET 55 Ca -0.07 0.00 -0.61 0.00 -2.07 0.00 0.00 59.70 56.95 1jy7 h MET 55 Cb 0.59 0.00 -0.35 0.00 -1.87 0.00 0.00 31.60 29.97 1jy7 h MET 55 CO 0.11 0.00 0.09 0.41 1.07 0.00 0.00 176.91 178.59 1jy7 n GLY 56 N -0.97 6.09 3.19 8.32 0.00 0.59 -4.94 105.19 117.47 1jy7 n GLY 56 Ca -0.03 -2.45 -0.34 0.00 0.00 0.00 0.00 46.02 43.20 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 -2.64 4.44 0.27 1.61 3.84 -0.91 -4.93 114.94 116.61 1jy7 s ASN 57 Ca 0.58 -0.97 -0.00 0.00 0.21 0.00 0.00 52.86 52.68 1jy7 s ASN 57 Cb 0.46 -1.67 0.55 0.00 -0.55 0.00 0.00 41.25 40.04 1jy7 s ASN 57 CO 0.01 -0.16 1.77 -0.65 -2.79 0.00 0.00 177.10 175.28 1jy7 h PRO 58 N 8.00 0.63 -0.48 0.43 0.11 -1.92 -1.78 132.00 136.99 1jy7 h PRO 58 Ca -0.30 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 1jy7 h PRO 58 Cb 1.10 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1jy7 h PRO 58 CO 0.56 0.42 -0.09 0.87 -0.21 0.00 0.00 178.00 179.55 1jy7 h LYS 59 N 0.65 0.91 0.62 1.05 1.57 -1.95 0.16 116.57 119.59 1jy7 h LYS 59 Ca 0.47 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1jy7 h LYS 59 Cb 0.67 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1jy7 h LYS 59 CO -0.36 0.98 -0.43 0.28 -0.57 0.00 0.00 179.45 179.35 1jy7 h VAL 60 N 0.76 0.00 0.00 0.50 2.07 -1.70 0.13 116.25 118.02 1jy7 h VAL 60 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1jy7 h VAL 60 Cb 0.63 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1jy7 h VAL 60 CO 0.04 0.00 -0.01 0.07 0.02 0.00 0.00 177.57 177.69 1jy7 h LYS 61 N -1.00 0.00 0.04 1.57 2.10 -1.38 0.14 116.57 118.03 1jy7 h LYS 61 Ca -0.08 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.32 1jy7 h LYS 61 Cb 0.82 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.16 1jy7 h LYS 61 CO 0.05 0.01 -1.05 0.00 -2.00 0.00 0.00 179.45 176.47 1jy7 h ALA 62 N 1.99 0.25 0.06 0.07 0.00 -0.37 -2.98 119.26 118.27 1jy7 h ALA 62 Ca -0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 54.91 53.91 1jy7 h ALA 62 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jy7 h ALA 62 CO 0.00 0.82 -1.07 1.25 0.00 0.00 0.00 179.25 180.25 1jy7 h HIS 63 N 0.22 0.58 -0.21 0.00 -0.00 -0.13 -3.17 115.15 112.44 1jy7 h HIS 63 Ca -0.11 -0.36 0.04 0.00 -0.00 0.00 0.00 60.37 59.94 1jy7 h HIS 63 Cb 1.71 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 29.06 1jy7 h HIS 63 CO 0.07 1.21 0.14 0.78 -0.00 0.00 0.00 177.93 180.14 1jy7 h GLY 64 N 1.32 0.12 2.00 5.26 0.00 -0.78 0.45 103.07 111.44 1jy7 h GLY 64 Ca -0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1jy7 h GLY 64 CO 0.18 0.03 -0.22 1.70 0.00 0.00 0.00 176.54 178.24 1jy7 h LYS 65 N 0.10 0.00 -0.00 4.80 3.64 -1.49 -2.33 116.57 121.29 1jy7 h LYS 65 Ca 0.09 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 1jy7 h LYS 65 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1jy7 h LYS 65 CO -0.01 0.22 -0.78 0.87 -2.27 0.00 0.00 179.45 177.48 1jy7 h LYS 66 N 0.00 0.07 -0.28 1.90 1.57 -1.02 -3.04 116.57 115.77 1jy7 h LYS 66 Ca -0.00 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1jy7 h LYS 66 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1jy7 h LYS 66 CO 0.03 0.82 -0.20 0.28 -0.57 0.00 0.00 179.45 179.80 1jy7 h VAL 67 N 0.04 1.30 0.00 0.50 2.07 -1.19 -2.68 116.25 116.29 1jy7 h VAL 67 Ca -0.02 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 1jy7 h VAL 67 Cb 1.38 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1jy7 h VAL 67 CO 0.11 0.42 -0.25 -0.07 0.02 0.00 0.00 177.57 177.80 1jy7 h LEU 68 N 0.36 0.00 -1.07 2.57 3.38 -1.59 -1.73 115.31 117.23 1jy7 h LEU 68 Ca 0.05 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1jy7 h LEU 68 Cb 0.75 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1jy7 h LEU 68 CO 0.05 0.25 0.63 1.23 0.09 0.00 0.00 178.44 180.70 1jy7 h GLY 69 N 0.84 1.38 1.93 0.83 0.00 -1.36 0.14 103.07 106.83 1jy7 h GLY 69 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1jy7 h GLY 69 CO 0.03 0.42 -0.33 0.00 0.00 0.00 0.00 176.54 176.66 1jy7 h ALA 70 N 1.44 1.37 0.02 3.60 0.00 -1.09 -1.30 119.26 123.30 1jy7 h ALA 70 Ca 0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jy7 h ALA 70 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1jy7 h ALA 70 CO -0.11 0.45 -0.01 0.74 0.00 0.00 0.00 179.25 180.32 1jy7 h PHE 71 N 0.08 -0.02 -1.01 0.00 -1.00 -0.89 -1.68 116.94 112.41 1jy7 h PHE 71 Ca 0.01 -0.00 0.23 0.00 2.81 0.00 0.00 57.97 61.02 1jy7 h PHE 71 Cb 0.62 0.01 -0.11 0.00 3.61 0.00 0.00 35.95 40.07 1jy7 h PHE 71 CO 0.00 0.72 0.61 0.77 -1.61 0.00 0.00 178.31 178.81 1jy7 h SER 72 N -0.86 0.68 0.16 2.17 0.02 -0.72 0.65 113.55 115.65 1jy7 h SER 72 Ca -0.00 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1jy7 h SER 72 Cb 0.76 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1jy7 h SER 72 CO 0.00 0.15 -0.08 -0.78 -1.14 0.00 0.00 176.83 174.99 1jy7 h ASP 73 N 0.61 -0.18 0.02 3.07 1.82 -1.23 -3.02 116.42 117.50 1jy7 h ASP 73 Ca 0.62 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.26 1jy7 h ASP 73 Cb 1.17 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1jy7 h ASP 73 CO -0.42 -0.11 0.00 1.23 -1.61 0.00 0.00 179.24 178.32 1jy7 h GLY 74 N -0.25 0.00 2.00 -0.78 0.00 -0.64 0.61 103.07 104.01 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 -0.92 3.11 5.85 0.34 -2.57 115.31 121.12 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 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1jy7 h LEU 75 CO 0.00 0.00 -0.42 0.00 -0.34 0.00 0.00 178.44 177.68 1jy7 n ALA 76 N -2.04 3.44 -2.52 1.25 0.00 0.20 -4.42 120.51 116.43 1jy7 n ALA 76 Ca 0.02 -0.60 -0.15 0.00 0.00 0.00 0.00 53.44 52.71 1jy7 n ALA 76 Cb 0.36 -0.86 0.02 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 -0.11 2.11 0.04 0.00 8.25 -0.97 -4.91 115.22 119.63 1jy7 n HIS 77 Ca 0.10 -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 0.73 0.00 1.12 0.00 0.00 29.99 32.03 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 2.62 0.00 0.48 2.41 3.38 -1.75 -2.80 115.31 119.65 1jy7 h LEU 78 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1jy7 h LEU 78 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1jy7 h LEU 78 CO 0.57 0.00 -0.29 0.44 0.09 0.00 0.00 178.44 179.26 1jy7 h ASP 79 N 0.00 -0.72 -2.74 -0.43 3.45 -1.91 -3.28 116.42 110.79 1jy7 h ASP 79 Ca 0.22 0.04 -0.78 0.00 0.43 0.00 0.00 57.03 56.94 1jy7 h ASP 79 Cb 1.01 0.21 -0.30 0.00 -0.56 0.00 0.00 39.33 39.69 1jy7 h ASP 79 CO -0.00 -0.45 0.61 -3.20 -1.57 0.00 0.00 179.24 174.63 1jy7 n ASN 80 N -4.13 6.15 0.09 6.45 5.15 -1.07 -4.72 115.26 123.18 1jy7 n ASN 80 Ca -0.09 -3.45 -0.22 0.00 -0.60 0.00 0.00 54.58 50.22 1jy7 n ASN 80 Cb 0.30 -1.17 -0.14 0.00 -0.53 0.00 0.00 39.78 38.24 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 5.11 0.75 -1.07 1.20 5.85 -1.59 -3.03 115.31 122.53 1jy7 h LEU 81 Ca 0.23 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1jy7 h LEU 81 Cb 0.59 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1jy7 h LEU 81 CO 1.25 1.56 0.00 0.29 -0.34 0.00 0.00 178.44 181.20 1jy7 n LYS 82 N -3.89 0.52 0.00 1.25 4.01 -1.26 -2.44 118.16 116.35 1jy7 n LYS 82 Ca -0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 1jy7 n LYS 82 Cb 0.95 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 34.21 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 0.28 0.26 0.16 0.72 0.00 -1.23 -4.77 105.19 100.61 1jy7 n GLY 83 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 1.42 -0.48 2.61 2.02 -1.35 -3.05 112.91 114.07 1jy7 h THR 84 Ca 0.00 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1jy7 h THR 84 Cb 0.00 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1jy7 h THR 84 CO 0.00 0.65 0.00 0.49 0.37 0.00 0.00 175.52 177.03 1jy7 n PHE 85 N -3.80 0.64 -0.33 3.16 3.01 -1.24 -4.57 117.46 114.34 1jy7 n PHE 85 Ca -0.03 -0.32 0.15 0.00 1.01 0.00 0.00 57.45 58.26 1jy7 n PHE 85 Cb 0.69 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.46 1jy7 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jy7 h ALA 86 N 4.01 1.23 -0.02 4.37 0.00 -1.83 0.37 119.26 127.39 1jy7 h ALA 86 Ca 0.00 0.32 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1jy7 h ALA 86 Cb 0.70 0.53 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jy7 h ALA 86 CO 0.00 -0.58 -0.34 1.15 0.00 0.00 0.00 179.25 179.49 1jy7 h THR 87 N 0.04 1.49 0.00 0.00 2.02 -1.86 -2.34 112.91 112.26 1jy7 h THR 87 Ca 0.60 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1jy7 h THR 87 Cb 1.26 2.61 -0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1jy7 h THR 87 CO -0.86 0.53 -0.04 -0.07 0.37 0.00 0.00 175.52 175.45 1jy7 h LEU 88 N -0.33 0.00 0.54 2.58 3.38 -1.62 0.39 115.31 120.24 1jy7 h LEU 88 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1jy7 h LEU 88 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1jy7 h LEU 88 CO 0.07 0.04 -0.26 -1.28 0.09 0.00 0.00 178.44 177.09 1jy7 h SER 89 N 0.00 -0.61 -1.00 -0.43 0.87 -0.26 -0.43 113.55 111.68 1jy7 h SER 89 Ca -0.00 0.02 0.17 0.00 -1.23 0.00 0.00 61.79 60.75 1jy7 h SER 89 Cb 0.09 0.16 -0.10 0.00 -0.44 0.00 0.00 62.40 62.11 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 -1.18 0.79 0.42 2.24 4.81 -0.75 0.12 114.58 121.04 1jy7 h GLU 90 Ca -0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1jy7 h GLU 90 Cb 0.56 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1jy7 h GLU 90 CO 0.12 0.52 -0.20 1.25 -0.73 0.00 0.00 179.01 179.97 1jy7 h LEU 91 N 0.82 -0.48 -2.44 1.64 5.85 -0.21 -2.55 115.31 117.93 1jy7 h LEU 91 Ca 0.55 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.29 1jy7 h LEU 91 Cb 0.80 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1jy7 h LEU 91 CO -0.34 -0.30 -0.03 0.45 -0.34 0.00 0.00 178.44 177.88 1jy7 h HIS 92 N -0.65 0.00 0.04 1.25 3.86 -0.88 -1.46 115.15 117.31 1jy7 h HIS 92 Ca -0.06 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1jy7 h HIS 92 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1jy7 h HIS 92 CO 0.10 0.03 -0.02 0.00 0.86 0.00 0.00 177.93 178.89 1jy7 n ASP 94 N -4.27 2.21 -0.13 0.00 5.75 -0.96 -3.33 116.55 115.82 1jy7 n ASP 94 Ca -0.01 -1.61 -0.27 0.00 -0.01 0.00 0.00 54.79 52.90 1jy7 n ASP 94 Cb 0.02 -0.06 -0.09 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 0.65 0.56 -0.04 0.11 4.76 -0.70 -4.72 118.16 118.77 1jy7 n LYS 95 Ca 0.08 0.23 0.04 0.00 -2.87 0.00 0.00 58.31 55.79 1jy7 n LYS 95 Cb 0.33 -1.43 -0.16 0.00 -1.84 0.00 0.00 35.03 31.93 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 -4.09 0.00 -3.11 -0.35 4.77 -0.63 -5.02 117.00 108.56 1jy7 n LEU 96 Ca -0.51 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.33 1jy7 n LEU 96 Cb 0.87 0.17 0.07 0.00 -2.33 0.00 0.00 43.42 42.20 1jy7 n LEU 96 CO 0.04 0.17 0.06 1.41 -1.33 0.00 0.00 177.39 177.74 1jy7 n HIS 97 N -2.41 -2.11 -3.58 -1.77 8.25 -1.04 -5.01 115.22 107.55 1jy7 n HIS 97 Ca -0.14 0.80 -0.36 0.00 -0.26 0.00 0.00 57.72 57.76 1jy7 n HIS 97 Cb 0.76 -4.29 -0.08 0.00 1.12 0.00 0.00 29.99 27.51 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 -3.34 5.33 0.20 1.59 1.01 -0.88 -5.04 120.40 119.27 1jy7 s VAL 98 Ca 0.24 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1jy7 s VAL 98 Cb -0.03 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1jy7 s VAL 98 CO 0.66 0.39 1.37 -0.62 0.00 0.00 0.00 175.10 176.90 1jy7 s ASP 99 N 0.54 6.79 0.45 3.32 2.15 -1.26 -4.83 116.67 123.82 1jy7 s ASP 99 Ca 0.14 2.49 0.18 0.00 0.43 0.00 0.00 52.55 55.79 1jy7 s ASP 99 Cb -0.13 -2.61 1.12 0.00 -0.30 0.00 0.00 42.92 41.01 1jy7 s ASP 99 CO 0.03 -0.61 1.92 1.55 -0.17 0.00 0.00 175.17 177.88 1jy7 h PRO 100 N 5.50 0.33 -1.11 4.34 0.13 -1.97 -1.09 132.00 138.12 1jy7 h PRO 100 Ca -0.45 -0.02 0.31 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 32.18 1jy7 h PRO 100 CO 0.79 0.22 0.74 1.49 -0.23 0.00 0.00 178.00 181.01 1jy7 h GLU 101 N 0.34 0.25 0.00 0.86 4.57 -2.01 0.82 114.58 119.40 1jy7 h GLU 101 Ca 0.37 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1jy7 h GLU 101 Cb 0.95 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1jy7 h GLU 101 CO -0.10 0.16 -0.03 -0.91 -1.18 0.00 0.00 179.01 176.95 1jy7 h ASN 102 N 0.25 0.00 -0.24 1.04 -0.26 -1.57 -1.60 115.58 113.20 1jy7 h ASN 102 Ca 0.61 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 56.18 1jy7 h ASN 102 Cb 1.84 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.10 1jy7 h ASN 102 CO -0.24 0.03 -0.53 -0.26 -1.06 0.00 0.00 177.43 175.37 1jy7 h PHE 103 N 0.00 1.01 -0.78 1.19 0.04 0.52 -2.98 116.94 115.94 1jy7 h PHE 103 Ca -0.00 -0.37 0.05 0.00 2.80 0.00 0.00 57.97 60.45 1jy7 h PHE 103 Cb 0.32 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 1jy7 h PHE 103 CO 0.00 1.19 0.47 0.00 -0.60 0.00 0.00 178.31 179.37 1jy7 h ARG 104 N 0.54 0.86 0.23 1.51 3.08 -1.25 -2.17 114.38 117.19 1jy7 h ARG 104 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jy7 h ARG 104 Cb 1.15 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1jy7 h ARG 104 CO 0.12 0.57 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.30 1jy7 h LEU 105 N 0.89 -0.59 -1.79 3.04 3.38 -1.37 -2.35 115.31 116.52 1jy7 h LEU 105 Ca 0.33 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1jy7 h LEU 105 Cb 0.12 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1jy7 h LEU 105 CO -0.15 -0.33 0.10 0.25 0.09 0.00 0.00 178.44 178.39 1jy7 h LEU 106 N -0.48 0.21 -0.47 1.67 5.85 -1.38 -2.19 115.31 118.51 1jy7 h LEU 106 Ca -0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1jy7 h LEU 106 Cb 0.45 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1jy7 h LEU 106 CO -0.04 0.17 0.28 1.23 -0.34 0.00 0.00 178.44 179.73 1jy7 h GLY 107 N 0.29 0.68 1.34 3.75 0.00 -0.88 -2.52 103.07 105.73 1jy7 h GLY 107 Ca 0.06 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 1jy7 h GLY 107 CO -0.01 0.28 -0.39 3.43 0.00 0.00 0.00 176.54 179.85 1jy7 h ASN 108 N 0.62 0.77 0.71 0.19 -0.26 -1.00 -2.85 115.58 113.77 1jy7 h ASN 108 Ca 0.17 -0.35 -0.05 0.00 -0.56 0.00 0.00 56.30 55.51 1jy7 h ASN 108 Cb 0.01 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 1jy7 h ASN 108 CO -0.03 1.07 -0.24 -0.37 -1.06 0.00 0.00 177.43 176.80 1jy7 h VAL 109 N 0.60 0.68 -0.56 2.81 -1.51 -1.40 -1.46 116.25 115.40 1jy7 h VAL 109 Ca 0.05 -1.06 -0.10 0.00 -1.23 0.00 0.00 66.70 64.36 1jy7 h VAL 109 Cb 0.93 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 31.76 1jy7 h VAL 109 CO 0.09 0.24 -0.03 0.25 -1.23 0.00 0.00 177.57 176.88 1jy7 h LEU 110 N 0.00 1.00 -0.14 4.19 6.46 -1.22 -1.46 115.31 124.13 1jy7 h LEU 110 Ca -0.00 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1jy7 h LEU 110 Cb 0.66 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1jy7 h LEU 110 CO 0.03 1.08 0.07 0.58 -0.62 0.00 0.00 178.44 179.58 1jy7 h VAL 111 N 0.90 1.00 -0.84 1.05 2.07 -1.19 0.04 116.25 119.28 1jy7 h VAL 111 Ca 0.16 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1jy7 h VAL 111 Cb 0.58 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1jy7 h VAL 111 CO 0.03 0.03 0.55 0.00 0.02 0.00 0.00 177.57 178.20 1jy7 h VAL 113 N 0.81 1.32 -0.54 0.00 2.07 -0.27 -1.02 116.25 118.62 1jy7 h VAL 113 Ca 0.39 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1jy7 h VAL 113 Cb 0.42 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1jy7 h VAL 113 CO -0.16 0.49 0.31 -0.07 0.02 0.00 0.00 177.57 178.16 1jy7 h LEU 114 N 0.33 0.66 -1.92 2.57 3.38 -0.50 -0.90 115.31 118.94 1jy7 h LEU 114 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1jy7 h LEU 114 Cb 0.94 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jy7 h LEU 114 CO 0.08 0.55 -0.05 0.00 0.09 0.00 0.00 178.44 179.11 1jy7 h ALA 115 N 1.14 1.07 -0.14 1.53 0.00 -1.12 -1.68 119.26 120.07 1jy7 h ALA 115 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1jy7 h ALA 115 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jy7 h ALA 115 CO -0.03 0.06 -0.48 1.25 0.00 0.00 0.00 179.25 180.05 1jy7 h HIS 116 N 0.00 0.75 0.17 0.00 -0.00 0.22 -3.19 115.15 113.10 1jy7 h HIS 116 Ca -0.00 -0.31 -0.32 0.00 -0.00 0.00 0.00 60.37 59.74 1jy7 h HIS 116 Cb 0.37 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1jy7 h HIS 116 CO 0.00 1.08 -1.61 0.45 -0.00 0.00 0.00 177.93 177.85 1jy7 h HIS 117 N 0.20 0.66 -0.03 5.26 3.86 -1.24 -3.33 115.15 120.52 1jy7 h HIS 117 Ca -0.02 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1jy7 h HIS 117 Cb 1.11 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1jy7 h HIS 117 CO 0.10 1.63 0.00 1.19 0.86 0.00 0.00 177.93 181.71 1jy7 n PHE 118 N -3.71 0.10 0.00 2.45 0.99 -0.65 -4.90 117.46 111.74 1jy7 n PHE 118 Ca -0.24 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.17 1jy7 n PHE 118 Cb 1.02 -0.09 0.00 0.00 -1.00 0.00 0.00 39.48 39.40 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 0.16 0.23 0.31 1.37 0.00 -1.20 0.12 105.19 106.18 1jy7 n GLY 119 Ca 0.02 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 1.12 0.21 1.61 5.02 -1.26 -3.68 118.16 121.18 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 0.22 0.00 -0.02 0.00 0.00 35.03 33.74 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 -5.50 1.97 5.08 0.58 -3.39 114.58 114.85 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 0.48 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.61 1jy7 h GLU 121 CO 0.00 0.00 1.92 0.12 -1.00 0.00 0.00 179.01 180.05 1jy7 s PHE 122 N -3.22 3.01 0.66 4.33 5.36 -1.12 -4.98 117.98 122.03 1jy7 s PHE 122 Ca 0.07 -1.79 -0.10 0.00 -0.96 0.00 0.00 56.93 54.15 1jy7 s PHE 122 Cb 0.06 -4.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.13 1jy7 s PHE 122 CO 0.66 -1.68 1.04 0.95 -1.46 0.00 0.00 175.22 174.73 1jy7 s THR 123 N 3.37 3.82 0.25 0.12 -4.23 -1.26 -4.79 115.64 112.91 1jy7 s THR 123 Ca 0.50 0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 61.47 1jy7 s THR 123 Cb 0.02 -3.57 0.23 0.00 1.34 0.00 0.00 72.50 70.51 1jy7 s THR 123 CO 0.05 -0.72 1.75 -0.65 -0.54 0.00 0.00 174.62 174.51 1jy7 h PRO 124 N -0.48 0.52 -0.08 3.99 0.11 -1.97 0.19 132.00 134.28 1jy7 h PRO 124 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1jy7 h PRO 124 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1jy7 h PRO 124 CO 0.63 0.34 -0.06 -1.35 -0.21 0.00 0.00 178.00 177.35 1jy7 h PRO 125 N 0.53 0.11 0.07 1.05 0.11 -1.99 0.29 132.00 132.17 1jy7 h PRO 125 Ca 0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 1jy7 h PRO 125 Cb 0.63 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1jy7 h PRO 125 CO -0.38 0.19 -0.03 0.28 -0.21 0.00 0.00 178.00 177.84 1jy7 h VAL 126 N 0.11 1.19 -0.52 3.15 2.07 -1.12 -2.73 116.25 118.40 1jy7 h VAL 126 Ca 0.03 -1.44 0.10 0.00 0.82 0.00 0.00 66.70 66.20 1jy7 h VAL 126 Cb 0.19 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 1jy7 h VAL 126 CO 0.01 0.33 0.06 -0.61 0.02 0.00 0.00 177.57 177.38 1jy7 h GLN 127 N -0.81 0.18 -0.98 1.57 4.15 -0.55 0.11 115.11 118.79 1jy7 h GLN 127 Ca -0.01 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.52 1jy7 h GLN 127 Cb 0.61 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.18 1jy7 h GLN 127 CO 0.02 0.12 0.60 0.00 -1.93 0.00 0.00 178.83 177.64 1jy7 h ALA 128 N 1.43 1.47 0.31 3.38 0.00 -0.99 0.30 119.26 125.16 1jy7 h ALA 128 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1jy7 h ALA 128 Cb 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jy7 h ALA 128 CO -0.38 0.18 -0.15 0.00 0.00 0.00 0.00 179.25 178.90 1jy7 h ALA 129 N 1.54 -0.41 -0.59 0.00 0.00 -0.54 -3.13 119.26 116.12 1jy7 h ALA 129 Ca 0.49 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1jy7 h ALA 129 Cb 0.51 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1jy7 h ALA 129 CO -0.28 -0.53 0.40 1.88 0.00 0.00 0.00 179.25 180.72 1jy7 h TYR 130 N -0.82 0.40 -0.50 0.00 0.05 -0.72 -0.83 116.97 114.54 1jy7 h TYR 130 Ca -0.04 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.78 1jy7 h TYR 130 Cb 0.52 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1jy7 h TYR 130 CO 0.03 0.19 0.33 1.96 -1.05 0.00 0.00 178.16 179.62 1jy7 h GLN 131 N 0.37 0.57 -0.23 4.88 1.08 -0.89 -1.39 115.11 119.51 1jy7 h GLN 131 Ca 0.27 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.28 1jy7 h GLN 131 Cb 0.58 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1jy7 h GLN 131 CO -0.07 0.38 -0.49 0.87 -0.95 0.00 0.00 178.83 178.57 1jy7 h LYS 132 N 0.59 0.73 0.46 1.46 1.57 -1.15 -2.26 116.57 117.97 1jy7 h LYS 132 Ca 0.20 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1jy7 h LYS 132 Cb 0.07 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1jy7 h LYS 132 CO -0.05 1.10 -0.35 0.28 -0.57 0.00 0.00 179.45 179.86 1jy7 h VAL 133 N 0.45 0.00 -0.94 0.50 2.07 -1.27 -1.49 116.25 115.57 1jy7 h VAL 133 Ca 0.00 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.81 1jy7 h VAL 133 Cb 1.10 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.71 1jy7 h VAL 133 CO 0.11 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.59 1jy7 h VAL 134 N -0.78 0.21 -0.44 2.57 2.07 -1.35 0.10 116.25 118.63 1jy7 h VAL 134 Ca -0.06 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1jy7 h VAL 134 Cb 0.65 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1jy7 h VAL 134 CO 0.01 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.84 1jy7 h ALA 135 N 1.87 0.57 -0.52 1.67 0.00 -0.82 -1.82 119.26 120.21 1jy7 h ALA 135 Ca 0.64 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 1jy7 h ALA 135 Cb 1.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1jy7 h ALA 135 CO -0.71 0.14 0.01 0.78 0.00 0.00 0.00 179.25 179.46 1jy7 h GLY 136 N 0.57 0.98 0.63 0.00 0.00 0.15 -0.09 103.07 105.30 1jy7 h GLY 136 Ca 0.15 -0.72 0.08 0.00 0.00 0.00 0.00 47.33 46.85 1jy7 h GLY 136 CO -0.02 0.66 0.60 -2.08 0.00 0.00 0.00 176.54 175.70 1jy7 h VAL 137 N 0.78 1.01 -0.01 4.60 2.07 -0.84 -0.03 116.25 123.83 1jy7 h VAL 137 Ca 0.15 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1jy7 h VAL 137 Cb 0.51 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1jy7 h VAL 137 CO 0.02 0.19 -0.15 0.00 0.02 0.00 0.00 177.57 177.66 1jy7 h ALA 138 N 1.47 0.03 -0.82 1.67 0.00 -1.05 -3.17 119.26 117.38 1jy7 h ALA 138 Ca 0.44 -0.42 0.21 0.00 0.00 0.00 0.00 54.91 55.14 1jy7 h ALA 138 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1jy7 h ALA 138 CO -0.21 0.00 0.57 -0.97 0.00 0.00 0.00 179.25 178.64 1jy7 h ASN 139 N -0.55 0.17 0.15 0.00 -0.73 -0.57 -1.96 115.58 112.10 1jy7 h ASN 139 Ca -0.02 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1jy7 h ASN 139 Cb 0.87 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.45 1jy7 h ASN 139 CO 0.03 0.07 -0.07 0.00 -0.37 0.00 0.00 177.43 177.09 1jy7 h ALA 140 N 1.61 -0.21 -0.11 1.57 0.00 -1.01 -3.05 119.26 118.07 1jy7 h ALA 140 Ca 0.41 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1jy7 h ALA 140 Cb 1.33 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1jy7 h ALA 140 CO -0.07 -0.44 0.08 -0.07 0.00 0.00 0.00 179.25 178.74 1jy7 h LEU 141 N -0.56 0.04 0.00 0.00 3.38 -1.34 -1.35 115.31 115.49 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 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1jy7 h LEU 141 CO 0.03 0.03 -0.20 0.00 0.09 0.00 0.00 178.44 178.39 1jy7 n ALA 142 N -2.55 2.54 -0.24 1.53 0.00 -1.10 -4.00 120.51 116.68 1jy7 n ALA 142 Ca -0.01 -0.11 0.23 0.00 0.00 0.00 0.00 53.44 53.55 1jy7 n ALA 142 Cb 0.16 -1.37 0.59 0.00 0.00 0.00 0.00 19.45 18.83 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 0.37 -0.53 0.00 6.17 -1.13 -2.09 115.15 117.94 1jy7 h HIS 143 Ca 0.00 0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.19 1jy7 h HIS 143 Cb 0.69 -0.11 -0.08 0.00 2.52 0.00 0.00 27.41 30.43 1jy7 h HIS 143 CO 0.00 0.08 0.06 -0.22 0.71 0.00 0.00 177.93 178.56 1jy7 h LYS 144 N 0.26 0.18 0.00 5.26 1.63 -1.76 -3.24 116.57 118.90 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 1.44 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1jy7 h LYS 144 CO -0.14 0.12 0.00 0.66 -3.45 0.00 0.00 179.45 176.64 1jy7 n TYR 145 N -5.17 0.00 1.17 1.91 4.01 -0.79 -5.08 117.16 113.21 1jy7 n TYR 145 Ca 0.06 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1jy7 n TYR 145 Cb 0.28 -0.34 0.55 0.00 -0.31 0.00 0.00 39.34 39.52 1jy7 n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01