#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 -5.12 115.22 113.47 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 2.24 -4.86 0.27 4.77 -1.26 -4.94 117.00 113.22 1jy7 n LEU 3 Ca 0.00 1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 56.74 1jy7 n LEU 3 Cb 0.00 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 1jy7 n LEU 3 CO 0.00 -0.50 0.31 0.42 -1.33 0.00 0.00 177.39 176.29 1jy7 s THR 4 N 3.33 4.81 0.00 -5.08 -4.23 -1.26 -4.61 115.64 108.60 1jy7 s THR 4 Ca 0.98 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 62.21 1jy7 s THR 4 Cb -1.10 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 69.12 1jy7 s THR 4 CO 0.66 -0.11 0.00 -2.65 -0.54 0.00 0.00 174.62 171.98 1jy7 n PRO 5 N -0.20 0.00 0.03 3.99 -0.02 -1.26 0.28 135.00 137.82 1jy7 n PRO 5 Ca 0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.38 1jy7 n PRO 5 Cb 0.53 0.00 -0.07 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 0.01 -0.05 -0.52 9.09 -1.99 -1.84 114.58 119.29 1jy7 h GLU 6 Ca 0.00 -0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.45 1jy7 h GLU 6 Cb 0.00 -0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 1jy7 h GLU 6 CO 0.00 0.06 -0.29 0.93 0.05 0.00 0.00 179.01 179.75 1jy7 h GLU 7 N -0.04 -0.40 -0.86 1.06 5.08 -0.54 1.64 114.58 120.52 1jy7 h GLU 7 Ca 0.00 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1jy7 h GLU 7 Cb 0.05 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.24 1jy7 h GLU 7 CO -0.00 -0.27 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.16 1jy7 h LYS 8 N -0.41 -0.05 0.03 2.33 1.63 -0.71 0.54 116.57 119.92 1jy7 h LYS 8 Ca 0.07 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 1jy7 h LYS 8 Cb 0.52 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1jy7 h LYS 8 CO -0.28 -0.03 -0.49 0.66 -3.45 0.00 0.00 179.45 175.86 1jy7 h SER 9 N -0.05 0.37 -0.70 4.20 4.64 -0.66 -3.25 113.55 118.10 1jy7 h SER 9 Ca 0.31 -0.83 0.15 0.00 -0.47 0.00 0.00 61.79 60.95 1jy7 h SER 9 Cb 0.58 -0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 62.45 1jy7 h SER 9 CO -0.89 1.16 0.11 0.00 -0.87 0.00 0.00 176.83 176.35 1jy7 h ALA 10 N 0.22 0.83 -0.16 5.18 0.00 0.31 0.73 119.26 126.36 1jy7 h ALA 10 Ca -0.07 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1jy7 h ALA 10 Cb 1.27 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1jy7 h ALA 10 CO 0.09 -0.36 0.04 0.28 0.00 0.00 0.00 179.25 179.30 1jy7 h VAL 11 N 0.21 0.93 0.00 0.00 2.07 -1.04 -1.96 116.25 116.47 1jy7 h VAL 11 Ca 0.38 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.80 1jy7 h VAL 11 Cb 0.65 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1jy7 h VAL 11 CO -0.52 0.02 -0.34 0.71 0.02 0.00 0.00 177.57 177.46 1jy7 h THR 12 N 0.11 1.07 0.46 2.57 1.35 -1.25 -2.89 112.91 114.33 1jy7 h THR 12 Ca 0.07 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.70 1jy7 h THR 12 Cb 0.06 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 1jy7 h THR 12 CO -0.09 0.33 -0.51 0.00 -0.25 0.00 0.00 175.52 175.00 1jy7 h ALA 13 N 1.66 -1.12 0.15 6.62 0.00 0.12 -3.01 119.26 123.69 1jy7 h ALA 13 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1jy7 h ALA 13 Cb 0.66 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1jy7 h ALA 13 CO 0.04 -1.18 -0.07 -0.07 0.00 0.00 0.00 179.25 177.98 1jy7 h LEU 14 N -0.98 -0.17 -1.45 0.00 3.38 -1.50 -3.14 115.31 111.45 1jy7 h LEU 14 Ca -0.05 -0.09 0.41 0.00 0.09 0.00 0.00 57.88 58.23 1jy7 h LEU 14 Cb 0.86 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1jy7 h LEU 14 CO -0.09 -0.02 1.29 -0.25 0.09 0.00 0.00 178.44 179.46 1jy7 h TRP 15 N -0.32 0.00 -0.02 1.13 2.91 -1.42 0.86 115.95 119.09 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 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 1jy7 h TRP 15 CO -0.03 0.00 -0.89 0.78 -1.03 0.00 0.00 178.44 177.27 1jy7 h GLY 16 N 0.00 0.49 -0.68 2.65 0.00 -1.48 -3.13 103.07 100.92 1jy7 h GLY 16 Ca 0.67 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1jy7 h GLY 16 CO -0.01 0.71 0.00 0.28 0.00 0.00 0.00 176.54 177.53 1jy7 n LYS 17 N -3.78 1.38 -2.91 4.80 5.02 0.30 -4.84 118.16 118.13 1jy7 n LYS 17 Ca -0.06 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.32 1jy7 n LYS 17 Cb 0.80 -1.21 -0.05 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.72 4.66 -0.57 -0.18 1.01 -1.17 -4.99 120.40 117.44 1jy7 s VAL 18 Ca 0.09 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.67 1jy7 s VAL 18 Cb 0.05 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1jy7 s VAL 18 CO 0.05 -0.54 2.20 0.21 0.00 0.00 0.00 175.10 177.02 1jy7 s ASN 19 N 1.94 4.72 0.55 3.32 3.84 -1.26 -4.82 114.94 123.22 1jy7 s ASN 19 Ca 0.33 0.67 0.25 0.00 0.21 0.00 0.00 52.86 54.32 1jy7 s ASN 19 Cb -0.12 -2.52 1.45 0.00 -0.55 0.00 0.00 41.25 39.51 1jy7 s ASN 19 CO 0.19 -2.77 2.05 1.62 -2.79 0.00 0.00 177.10 175.40 1jy7 h VAL 20 N 7.39 0.69 -0.41 -5.21 3.04 -1.95 -2.19 116.25 117.61 1jy7 h VAL 20 Ca -0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1jy7 h VAL 20 Cb 1.20 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1jy7 h VAL 20 CO 1.17 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.20 1jy7 n ASP 21 N -4.21 3.08 0.02 3.17 8.00 -1.26 -4.19 116.55 121.16 1jy7 n ASP 21 Ca 0.05 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1jy7 n ASP 21 Cb 0.44 -0.44 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 0.62 0.00 -0.27 -1.24 -0.58 -0.84 -4.79 120.64 113.55 1jy7 n GLU 22 Ca 0.16 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.96 1jy7 n GLU 22 Cb 0.58 -0.17 0.17 0.00 -0.57 0.00 0.00 31.44 31.46 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 -0.11 2.62 2.07 -1.76 -0.59 116.25 118.77 1jy7 h VAL 23 Ca 0.00 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1jy7 h VAL 23 Cb 0.00 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1jy7 h VAL 23 CO 0.00 0.02 -0.21 1.23 0.02 0.00 0.00 177.57 178.63 1jy7 h GLY 24 N 0.09 -0.21 1.79 2.17 0.00 -1.78 -0.72 103.07 104.41 1jy7 h GLY 24 Ca 0.44 0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.91 1jy7 h GLY 24 CO -0.70 -0.19 -0.43 -1.33 0.00 0.00 0.00 176.54 173.89 1jy7 h GLY 25 N -0.28 0.26 1.40 4.60 0.00 -1.52 -2.68 103.07 104.85 1jy7 h GLY 25 Ca 0.09 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1jy7 h GLY 25 CO -0.27 0.23 -0.40 -2.09 0.00 0.00 0.00 176.54 174.00 1jy7 h GLU 26 N 0.20 0.66 -0.08 4.80 4.81 -0.66 -1.28 114.58 123.03 1jy7 h GLU 26 Ca 0.02 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1jy7 h GLU 26 Cb 0.85 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1jy7 h GLU 26 CO 0.07 0.95 -0.12 0.00 -0.73 0.00 0.00 179.01 179.17 1jy7 h ALA 27 N 1.01 0.12 -0.29 2.92 0.00 -1.10 -1.71 119.26 120.21 1jy7 h ALA 27 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1jy7 h ALA 27 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1jy7 h ALA 27 CO 0.08 -0.01 0.15 1.25 0.00 0.00 0.00 179.25 180.72 1jy7 h LEU 28 N -0.25 0.34 0.28 0.00 7.12 -1.48 -2.63 115.31 118.70 1jy7 h LEU 28 Ca 0.01 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1jy7 h LEU 28 Cb 0.68 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 1jy7 h LEU 28 CO 0.03 0.29 -0.14 1.23 -0.13 0.00 0.00 178.44 179.72 1jy7 h GLY 29 N 0.47 -0.40 0.72 3.75 0.00 -1.11 -3.21 103.07 103.29 1jy7 h GLY 29 Ca 0.10 0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.72 1jy7 h GLY 29 CO -0.02 -0.14 0.49 3.21 0.00 0.00 0.00 176.54 180.08 1jy7 h ARG 30 N -0.87 0.40 -0.43 4.80 3.08 -1.15 -1.30 114.38 118.91 1jy7 h ARG 30 Ca -0.04 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1jy7 h ARG 30 Cb 0.51 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1jy7 h ARG 30 CO 0.06 0.26 0.23 1.25 -1.07 0.00 0.00 179.97 180.71 1jy7 h LEU 31 N 0.41 0.36 -1.51 3.04 5.85 -1.51 0.18 115.31 122.13 1jy7 h LEU 31 Ca 0.36 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 1jy7 h LEU 31 Cb 0.82 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1jy7 h LEU 31 CO -0.11 0.26 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.93 1jy7 h LEU 32 N 0.47 0.00 0.00 2.25 3.38 -1.25 -0.76 115.31 119.39 1jy7 h LEU 32 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1jy7 h LEU 32 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1jy7 h LEU 32 CO -0.10 0.24 -0.25 0.58 0.09 0.00 0.00 178.44 179.00 1jy7 h VAL 33 N 0.00 1.48 -0.11 1.22 2.07 -1.00 -3.30 116.25 116.61 1jy7 h VAL 33 Ca -0.00 -2.21 -0.15 0.00 0.82 0.00 0.00 66.70 65.16 1jy7 h VAL 33 Cb 0.53 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1jy7 h VAL 33 CO 0.03 0.50 -0.59 0.58 0.02 0.00 0.00 177.57 178.12 1jy7 h VAL 34 N -1.00 1.36 -2.82 2.57 2.07 -0.70 -3.37 116.25 114.36 1jy7 h VAL 34 Ca -0.07 -1.91 -0.61 0.00 0.82 0.00 0.00 66.70 64.93 1jy7 h VAL 34 Cb 0.99 1.92 -0.41 0.00 -1.52 0.00 0.00 31.29 32.26 1jy7 h VAL 34 CO -0.04 0.57 -0.66 -1.22 0.02 0.00 0.00 177.57 176.24 1jy7 n TYR 35 N -3.91 2.42 -0.33 1.57 4.01 -0.30 -5.00 117.16 115.63 1jy7 n TYR 35 Ca -0.03 -4.09 0.25 0.00 -0.16 0.00 0.00 57.90 53.87 1jy7 n TYR 35 Cb 0.61 -0.45 0.48 0.00 -0.31 0.00 0.00 39.34 39.68 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 5.26 0.17 0.00 -0.72 0.11 -1.73 -2.15 132.00 132.93 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 0.77 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1jy7 h PRO 36 CO 0.66 0.11 0.00 -2.67 -0.21 0.00 0.00 178.00 175.89 1jy7 n TRP 37 N -5.18 0.04 1.29 0.65 2.14 -1.26 -1.25 117.44 113.86 1jy7 n TRP 37 Ca 0.32 0.02 0.14 0.00 2.07 0.00 0.00 57.50 60.05 1jy7 n TRP 37 Cb 1.05 -0.53 0.58 0.00 -0.81 0.00 0.00 31.31 31.59 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 -1.54 0.00 0.13 -1.67 -2.24 -0.81 -3.45 114.28 104.70 1jy7 n THR 38 Ca 0.00 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1jy7 n THR 38 Cb 0.02 -0.15 0.19 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.36 0.04 -1.22 -0.78 4.20 -1.40 -3.09 115.11 113.22 1jy7 h GLN 39 Ca 0.00 -0.03 0.35 0.00 0.06 0.00 0.00 58.65 59.04 1jy7 h GLN 39 Cb 0.40 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.09 1jy7 h GLN 39 CO 0.00 0.61 0.82 -0.09 -0.67 0.00 0.00 178.83 179.50 1jy7 h ARG 40 N 0.03 0.17 0.00 1.46 2.43 -1.76 0.45 114.38 117.16 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 1.03 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1jy7 h ARG 40 CO 0.08 0.11 0.00 0.74 -1.51 0.00 0.00 179.97 179.39 1jy7 h PHE 41 N 0.17 0.00 -2.10 2.20 -1.00 -1.80 -3.36 116.94 111.05 1jy7 h PHE 41 Ca 0.67 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.85 1jy7 h PHE 41 Cb 2.16 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 41.31 1jy7 h PHE 41 CO -0.00 0.00 -0.60 1.19 -1.61 0.00 0.00 178.31 177.28 1jy7 n PHE 42 N -3.00 3.87 0.09 -0.55 3.01 0.16 -4.84 117.46 116.20 1jy7 n PHE 42 Ca 0.04 -3.73 -0.13 0.00 1.01 0.00 0.00 57.45 54.63 1jy7 n PHE 42 Cb 0.49 -0.41 -0.08 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.21 -0.08 -1.08 5.08 -1.72 -3.18 114.58 116.31 1jy7 h GLU 43 Ca 0.19 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1jy7 h GLU 43 Cb 0.59 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1jy7 h GLU 43 CO 0.84 0.07 0.57 0.66 -1.00 0.00 0.00 179.01 180.16 1jy7 h SER 44 N -0.50 0.00 0.87 1.42 4.64 -1.94 -1.24 113.55 116.81 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 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1jy7 h SER 44 CO 0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.49 1jy7 n PHE 45 N -2.85 0.57 0.00 4.77 0.99 -1.20 -5.00 117.46 114.73 1jy7 n PHE 45 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 1jy7 n PHE 45 Cb 0.63 -0.83 0.00 0.00 -1.00 0.00 0.00 39.48 38.28 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 0.45 0.85 3.65 1.37 0.00 -0.47 -4.89 105.19 106.14 1jy7 n GLY 46 Ca 0.04 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.15 1.61 3.68 -1.26 -4.88 116.67 118.65 1jy7 s ASP 47 Ca 0.00 1.20 0.23 0.00 2.13 0.00 0.00 52.55 56.10 1jy7 s ASP 47 Cb 0.00 -2.51 0.47 0.00 -1.45 0.00 0.00 42.92 39.43 1jy7 s ASP 47 CO 0.00 -0.66 1.15 0.18 0.13 0.00 0.00 175.17 175.97 1jy7 n LEU 48 N 6.32 1.61 0.12 -1.34 4.77 -1.26 -4.32 117.00 122.90 1jy7 n LEU 48 Ca 0.10 -2.74 -0.08 0.00 -0.03 0.00 0.00 56.01 53.25 1jy7 n LEU 48 Cb 0.47 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1jy7 n LEU 48 CO 0.52 0.89 0.26 -1.28 -1.33 0.00 0.00 177.39 176.45 1jy7 h SER 49 N 1.78 -0.34 -2.97 -1.43 0.87 -1.93 -3.46 113.55 106.07 1jy7 h SER 49 Ca -0.14 -0.10 -0.63 0.00 -1.23 0.00 0.00 61.79 59.69 1jy7 h SER 49 Cb 1.54 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.54 1jy7 h SER 49 CO 0.17 0.14 -0.53 0.42 -0.53 0.00 0.00 176.83 176.51 1jy7 s THR 50 N -3.21 5.18 0.57 2.23 -4.23 -1.26 -4.99 115.64 109.93 1jy7 s THR 50 Ca -0.09 -0.46 0.30 0.00 -1.18 0.00 0.00 61.69 60.26 1jy7 s THR 50 Cb 0.01 -3.51 0.42 0.00 1.34 0.00 0.00 72.50 70.75 1jy7 s THR 50 CO 0.30 0.16 1.87 1.55 -0.54 0.00 0.00 174.62 177.95 1jy7 h PRO 51 N 3.21 0.00 0.02 3.99 0.13 -2.00 0.24 132.00 137.60 1jy7 h PRO 51 Ca -0.46 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.41 1jy7 h PRO 51 Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 1jy7 h PRO 51 CO 0.73 0.00 -1.05 -0.44 -0.23 0.00 0.00 178.00 177.01 1jy7 h ASP 52 N 0.00 0.76 -0.89 1.44 3.32 -1.98 -2.23 116.42 116.85 1jy7 h ASP 52 Ca 0.29 -0.63 0.04 0.00 0.02 0.00 0.00 57.03 56.75 1jy7 h ASP 52 Cb 1.42 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 1jy7 h ASP 52 CO -0.00 1.44 0.57 0.00 -1.72 0.00 0.00 179.24 179.53 1jy7 h ALA 53 N 0.51 1.18 0.62 3.45 0.00 -0.87 0.28 119.26 124.43 1jy7 h ALA 53 Ca -0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1jy7 h ALA 53 Cb 1.70 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1jy7 h ALA 53 CO 0.20 0.41 -0.30 0.28 0.00 0.00 0.00 179.25 179.84 1jy7 h VAL 54 N 1.10 0.26 0.00 0.00 2.07 -1.37 -2.97 116.25 115.34 1jy7 h VAL 54 Ca 0.36 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1jy7 h VAL 54 Cb 0.03 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1jy7 h VAL 54 CO -0.13 0.03 -0.00 0.24 0.02 0.00 0.00 177.57 177.73 1jy7 h MET 55 N -1.05 0.00 -1.05 1.57 2.07 -1.08 -2.48 114.93 112.91 1jy7 h MET 55 Ca -0.09 0.00 -0.63 0.00 -2.07 0.00 0.00 59.70 56.91 1jy7 h MET 55 Cb 0.69 0.00 -0.35 0.00 -1.87 0.00 0.00 31.60 30.06 1jy7 h MET 55 CO 0.14 0.00 0.10 0.41 1.07 0.00 0.00 176.91 178.63 1jy7 n GLY 56 N -0.91 6.06 3.14 8.32 0.00 0.97 -4.94 105.19 117.84 1jy7 n GLY 56 Ca -0.02 -2.51 -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 -2.59 4.36 0.27 1.61 3.84 -0.94 -4.93 114.94 116.56 1jy7 s ASN 57 Ca 0.57 -1.11 0.01 0.00 0.21 0.00 0.00 52.86 52.53 1jy7 s ASN 57 Cb 0.45 -1.62 0.59 0.00 -0.55 0.00 0.00 41.25 40.13 1jy7 s ASN 57 CO -0.05 -0.16 1.75 -0.65 -2.79 0.00 0.00 177.10 175.20 1jy7 h PRO 58 N 7.92 0.58 -0.45 0.43 0.11 -1.92 -1.58 132.00 137.10 1jy7 h PRO 58 Ca -0.27 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.70 1jy7 h PRO 58 Cb 1.08 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1jy7 h PRO 58 CO 0.53 0.38 -0.14 0.87 -0.21 0.00 0.00 178.00 179.44 1jy7 h LYS 59 N 0.60 0.89 0.58 1.05 1.57 -1.94 0.55 116.57 119.85 1jy7 h LYS 59 Ca 0.49 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1jy7 h LYS 59 Cb 0.75 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1jy7 h LYS 59 CO -0.40 1.00 -0.44 0.28 -0.57 0.00 0.00 179.45 179.32 1jy7 h VAL 60 N 0.72 0.00 0.00 0.50 2.07 -1.66 0.62 116.25 118.51 1jy7 h VAL 60 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1jy7 h VAL 60 Cb 0.69 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1jy7 h VAL 60 CO 0.05 0.00 -0.02 0.07 0.02 0.00 0.00 177.57 177.69 1jy7 h LYS 61 N -0.99 0.00 0.01 1.57 2.10 -1.41 0.59 116.57 118.44 1jy7 h LYS 61 Ca -0.08 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.34 1jy7 h LYS 61 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1jy7 h LYS 61 CO 0.02 0.02 -0.98 0.00 -2.00 0.00 0.00 179.45 176.50 1jy7 h ALA 62 N 1.98 0.32 0.09 0.07 0.00 -0.55 -2.86 119.26 118.30 1jy7 h ALA 62 Ca -0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 54.91 53.92 1jy7 h ALA 62 Cb 0.39 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jy7 h ALA 62 CO 0.00 0.81 -1.14 1.25 0.00 0.00 0.00 179.25 180.18 1jy7 h HIS 63 N 0.23 0.64 -0.39 0.00 -0.00 -0.41 -3.20 115.15 112.02 1jy7 h HIS 63 Ca -0.09 -0.41 0.05 0.00 -0.00 0.00 0.00 60.37 59.92 1jy7 h HIS 63 Cb 1.63 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.97 1jy7 h HIS 63 CO 0.06 1.27 0.27 0.78 -0.00 0.00 0.00 177.93 180.31 1jy7 h GLY 64 N 1.18 0.38 2.00 5.26 0.00 -0.90 0.25 103.07 111.24 1jy7 h GLY 64 Ca -0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1jy7 h GLY 64 CO 0.20 0.10 -0.19 1.70 0.00 0.00 0.00 176.54 178.35 1jy7 h LYS 65 N 0.31 0.00 -0.00 4.80 3.64 -1.49 -2.32 116.57 121.51 1jy7 h LYS 65 Ca 0.17 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.39 1jy7 h LYS 65 Cb 0.28 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1jy7 h LYS 65 CO -0.04 0.19 -0.77 0.87 -2.27 0.00 0.00 179.45 177.44 1jy7 h LYS 66 N 0.00 0.04 -0.27 1.90 1.57 -0.61 -3.07 116.57 116.13 1jy7 h LYS 66 Ca -0.00 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1jy7 h LYS 66 Cb 0.35 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jy7 h LYS 66 CO 0.02 0.79 -0.28 0.28 -0.57 0.00 0.00 179.45 179.69 1jy7 h VAL 67 N 0.02 1.31 0.00 0.50 2.07 -1.13 -2.88 116.25 116.14 1jy7 h VAL 67 Ca -0.01 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 1jy7 h VAL 67 Cb 1.35 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1jy7 h VAL 67 CO 0.10 0.46 -0.28 -0.07 0.02 0.00 0.00 177.57 177.81 1jy7 h LEU 68 N 0.41 0.00 -1.17 2.57 3.38 -1.59 -1.32 115.31 117.58 1jy7 h LEU 68 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1jy7 h LEU 68 Cb 0.85 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1jy7 h LEU 68 CO 0.07 0.28 0.57 1.23 0.09 0.00 0.00 178.44 180.67 1jy7 h GLY 69 N 0.91 1.22 1.93 0.83 0.00 -1.41 0.23 103.07 106.79 1jy7 h GLY 69 Ca -0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1jy7 h GLY 69 CO 0.04 0.38 -0.40 0.00 0.00 0.00 0.00 176.54 176.55 1jy7 h ALA 70 N 1.49 1.26 0.03 3.60 0.00 -1.09 -1.40 119.26 123.16 1jy7 h ALA 70 Ca 0.34 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 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 -0.10 0.53 -0.02 0.74 0.00 0.00 0.00 179.25 180.41 1jy7 h PHE 71 N 0.07 -0.04 -1.02 0.00 -1.00 -0.86 -1.58 116.94 112.51 1jy7 h PHE 71 Ca 0.00 -0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.03 1jy7 h PHE 71 Cb 0.74 0.01 -0.11 0.00 3.61 0.00 0.00 35.95 40.21 1jy7 h PHE 71 CO 0.00 0.65 0.63 0.77 -1.61 0.00 0.00 178.31 178.75 1jy7 h SER 72 N -0.87 0.58 0.13 2.17 0.02 -0.54 0.54 113.55 115.57 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 0.71 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1jy7 h SER 72 CO 0.01 0.11 -0.06 -0.78 -1.14 0.00 0.00 176.83 174.97 1jy7 h ASP 73 N 0.51 -0.14 -0.03 3.07 1.82 -1.25 -3.02 116.42 117.38 1jy7 h ASP 73 Ca 0.61 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.27 1jy7 h ASP 73 Cb 1.32 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 41.37 1jy7 h ASP 73 CO -0.38 -0.08 0.10 1.23 -1.61 0.00 0.00 179.24 178.49 1jy7 h GLY 74 N -0.21 0.00 2.00 -0.78 0.00 -0.80 0.56 103.07 103.84 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 0.03 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.57 1jy7 h LEU 75 N 0.00 0.00 -1.06 3.11 5.85 0.11 -2.35 115.31 120.97 1jy7 h LEU 75 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1jy7 h LEU 75 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 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 -2.03 3.35 -2.54 1.25 0.00 0.18 -4.45 120.51 116.27 1jy7 n ALA 76 Ca 0.02 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1jy7 n ALA 76 Cb 0.33 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 0.08 2.05 0.07 0.00 8.25 -0.89 -4.92 115.22 119.86 1jy7 n HIS 77 Ca 0.10 -2.65 0.19 0.00 -0.26 0.00 0.00 57.72 55.10 1jy7 n HIS 77 Cb 0.47 -0.26 0.72 0.00 1.12 0.00 0.00 29.99 32.04 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 2.67 0.00 0.43 2.41 3.38 -1.76 -2.88 115.31 119.56 1jy7 h LEU 78 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1jy7 h LEU 78 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1jy7 h LEU 78 CO 0.57 0.00 -0.24 0.44 0.09 0.00 0.00 178.44 179.30 1jy7 h ASP 79 N 0.00 -0.61 -2.78 -0.43 3.45 -1.91 -3.28 116.42 110.87 1jy7 h ASP 79 Ca 0.20 0.03 -0.79 0.00 0.43 0.00 0.00 57.03 56.90 1jy7 h ASP 79 Cb 0.85 0.17 -0.29 0.00 -0.56 0.00 0.00 39.33 39.50 1jy7 h ASP 79 CO -0.00 -0.39 0.67 -3.20 -1.57 0.00 0.00 179.24 174.75 1jy7 n ASN 80 N -3.83 6.27 0.13 6.45 5.15 -1.10 -4.71 115.26 123.62 1jy7 n ASN 80 Ca -0.08 -3.45 -0.24 0.00 -0.60 0.00 0.00 54.58 50.22 1jy7 n ASN 80 Cb 0.25 -1.20 -0.15 0.00 -0.53 0.00 0.00 39.78 38.16 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 5.17 0.83 -1.01 1.20 5.85 -1.58 -3.10 115.31 122.67 1jy7 h LEU 81 Ca 0.23 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1jy7 h LEU 81 Cb 0.59 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1jy7 h LEU 81 CO 1.27 1.67 0.00 0.29 -0.34 0.00 0.00 178.44 181.33 1jy7 n LYS 82 N -3.72 0.55 0.00 1.25 4.01 -1.26 -2.52 118.16 116.46 1jy7 n LYS 82 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1jy7 n LYS 82 Cb 1.07 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 34.32 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 0.23 0.46 0.12 0.72 0.00 -1.23 -4.76 105.19 100.72 1jy7 n GLY 83 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 1.51 -0.54 2.61 2.02 -1.41 -3.09 112.91 114.00 1jy7 h THR 84 Ca 0.00 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1jy7 h THR 84 Cb 0.00 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1jy7 h THR 84 CO 0.00 0.73 0.00 0.49 0.37 0.00 0.00 175.52 177.11 1jy7 n PHE 85 N -3.67 0.72 -0.34 3.16 3.01 -1.24 -4.61 117.46 114.49 1jy7 n PHE 85 Ca -0.02 -0.36 0.18 0.00 1.01 0.00 0.00 57.45 58.26 1jy7 n PHE 85 Cb 0.75 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 40.56 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 4.17 1.36 0.00 4.37 0.00 -1.84 0.36 119.26 127.69 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 0.82 0.53 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1jy7 h ALA 86 CO 0.00 -0.64 -0.34 1.15 0.00 0.00 0.00 179.25 179.42 1jy7 h THR 87 N 0.02 1.52 0.00 0.00 2.02 -1.86 -2.01 112.91 112.60 1jy7 h THR 87 Ca 0.64 -2.00 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 1jy7 h THR 87 Cb 1.41 2.75 -0.00 0.00 -1.74 0.00 0.00 68.15 70.57 1jy7 h THR 87 CO -0.88 0.56 -0.02 -0.07 0.37 0.00 0.00 175.52 175.47 1jy7 h LEU 88 N -0.41 0.00 0.39 2.58 3.38 -1.62 0.46 115.31 120.09 1jy7 h LEU 88 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1jy7 h LEU 88 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1jy7 h LEU 88 CO 0.07 0.02 -0.19 -1.28 0.09 0.00 0.00 178.44 177.15 1jy7 h SER 89 N 0.00 -0.44 -0.97 -0.43 0.87 -0.23 -0.43 113.55 111.91 1jy7 h SER 89 Ca -0.00 0.02 0.18 0.00 -1.23 0.00 0.00 61.79 60.76 1jy7 h SER 89 Cb 0.07 0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 1jy7 h SER 89 CO 0.00 -0.09 0.61 -0.08 -0.53 0.00 0.00 176.83 176.75 1jy7 h GLU 90 N -0.98 0.67 0.29 2.24 4.81 -0.53 0.50 114.58 121.57 1jy7 h GLU 90 Ca -0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jy7 h GLU 90 Cb 0.40 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1jy7 h GLU 90 CO 0.09 0.44 -0.14 1.25 -0.73 0.00 0.00 179.01 179.92 1jy7 h LEU 91 N 0.69 -0.33 -2.77 1.64 5.85 -0.08 -2.58 115.31 117.73 1jy7 h LEU 91 Ca 0.53 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.26 1jy7 h LEU 91 Cb 0.93 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1jy7 h LEU 91 CO -0.30 -0.20 -0.00 0.45 -0.34 0.00 0.00 178.44 178.05 1jy7 h HIS 92 N -0.45 0.00 0.00 1.25 3.86 -0.86 -1.41 115.15 117.54 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 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1jy7 h HIS 92 CO 0.12 0.00 -0.01 0.00 0.86 0.00 0.00 177.93 178.90 1jy7 n ASP 94 N -4.26 2.11 -0.13 0.00 5.75 -0.98 -3.37 116.55 115.67 1jy7 n ASP 94 Ca -0.00 -1.55 -0.28 0.00 -0.01 0.00 0.00 54.79 52.95 1jy7 n ASP 94 Cb 0.01 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 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 0.69 0.58 -0.03 0.11 4.76 -0.60 -4.70 118.16 118.96 1jy7 n LYS 95 Ca 0.08 0.29 0.05 0.00 -2.87 0.00 0.00 58.31 55.86 1jy7 n LYS 95 Cb 0.32 -1.52 -0.17 0.00 -1.84 0.00 0.00 35.03 31.83 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 -4.28 0.00 -3.10 -0.35 4.77 -0.76 -5.03 117.00 108.25 1jy7 n LEU 96 Ca -0.50 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.34 1jy7 n LEU 96 Cb 0.84 0.13 0.07 0.00 -2.33 0.00 0.00 43.42 42.13 1jy7 n LEU 96 CO 0.06 0.13 0.05 1.41 -1.33 0.00 0.00 177.39 177.71 1jy7 n HIS 97 N -2.39 -2.13 -3.58 -1.77 8.25 -1.06 -5.00 115.22 107.54 1jy7 n HIS 97 Ca -0.12 0.79 -0.37 0.00 -0.26 0.00 0.00 57.72 57.77 1jy7 n HIS 97 Cb 0.72 -4.21 -0.09 0.00 1.12 0.00 0.00 29.99 27.54 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 5.32 0.21 1.59 1.01 -0.80 -5.05 120.40 119.33 1jy7 s VAL 98 Ca 0.28 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 1jy7 s VAL 98 Cb -0.04 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1jy7 s VAL 98 CO 0.66 0.33 1.49 -0.62 0.00 0.00 0.00 175.10 176.96 1jy7 s ASP 99 N 0.94 6.63 0.45 3.32 2.15 -1.26 -4.83 116.67 124.07 1jy7 s ASP 99 Ca 0.11 2.64 0.19 0.00 0.43 0.00 0.00 52.55 55.92 1jy7 s ASP 99 Cb -0.14 -2.61 1.15 0.00 -0.30 0.00 0.00 42.92 41.02 1jy7 s ASP 99 CO 0.05 -0.75 1.92 1.55 -0.17 0.00 0.00 175.17 177.76 1jy7 h PRO 100 N 5.76 0.30 -1.08 4.34 0.13 -1.97 -1.56 132.00 137.93 1jy7 h PRO 100 Ca -0.45 -0.02 0.30 0.00 -0.87 0.00 0.00 66.00 64.96 1jy7 h PRO 100 Cb 1.21 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1jy7 h PRO 100 CO 0.83 0.20 0.68 1.49 -0.23 0.00 0.00 178.00 180.97 1jy7 h GLU 101 N 0.31 0.35 0.00 0.86 4.57 -2.01 0.74 114.58 119.40 1jy7 h GLU 101 Ca 0.37 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1jy7 h GLU 101 Cb 1.00 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1jy7 h GLU 101 CO -0.10 0.23 -0.06 -0.91 -1.18 0.00 0.00 179.01 176.99 1jy7 h ASN 102 N 0.36 0.00 -0.33 1.04 -0.26 -1.66 -0.88 115.58 113.86 1jy7 h ASN 102 Ca 0.65 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 56.25 1jy7 h ASN 102 Cb 1.65 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.91 1jy7 h ASN 102 CO -0.37 0.06 -0.35 -0.26 -1.06 0.00 0.00 177.43 175.45 1jy7 h PHE 103 N 0.00 0.98 -0.73 1.19 0.04 0.35 -2.82 116.94 115.95 1jy7 h PHE 103 Ca -0.00 -0.30 0.07 0.00 2.80 0.00 0.00 57.97 60.54 1jy7 h PHE 103 Cb 0.22 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 1jy7 h PHE 103 CO 0.00 1.09 0.41 0.00 -0.60 0.00 0.00 178.31 179.21 1jy7 h ARG 104 N 0.59 0.72 0.23 1.51 3.08 -1.11 -2.10 114.38 117.30 1jy7 h ARG 104 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1jy7 h ARG 104 Cb 0.93 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1jy7 h ARG 104 CO 0.08 0.48 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.15 1jy7 h LEU 105 N 0.74 -0.64 -1.81 3.04 3.38 -1.29 -2.20 115.31 116.53 1jy7 h LEU 105 Ca 0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1jy7 h LEU 105 Cb 0.22 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jy7 h LEU 105 CO -0.20 -0.35 0.13 0.25 0.09 0.00 0.00 178.44 178.37 1jy7 h LEU 106 N -0.51 0.22 -0.44 1.67 5.85 -1.25 -1.89 115.31 118.97 1jy7 h LEU 106 Ca -0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jy7 h LEU 106 Cb 0.47 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1jy7 h LEU 106 CO -0.06 0.16 0.27 1.23 -0.34 0.00 0.00 178.44 179.70 1jy7 h GLY 107 N 0.26 0.63 1.40 3.75 0.00 -0.80 -2.48 103.07 105.85 1jy7 h GLY 107 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1jy7 h GLY 107 CO -0.02 0.25 -0.41 3.43 0.00 0.00 0.00 176.54 179.79 1jy7 h ASN 108 N 0.59 0.70 0.60 0.19 -0.26 -0.86 -2.89 115.58 113.65 1jy7 h ASN 108 Ca 0.16 -0.32 -0.06 0.00 -0.56 0.00 0.00 56.30 55.52 1jy7 h ASN 108 Cb -0.02 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 1jy7 h ASN 108 CO -0.03 1.03 -0.28 -0.37 -1.06 0.00 0.00 177.43 176.71 1jy7 h VAL 109 N 0.54 0.85 -0.66 2.81 -1.51 -1.37 -1.61 116.25 115.29 1jy7 h VAL 109 Ca 0.04 -1.13 -0.08 0.00 -1.23 0.00 0.00 66.70 64.30 1jy7 h VAL 109 Cb 0.94 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.76 1jy7 h VAL 109 CO 0.09 0.28 0.09 0.25 -1.23 0.00 0.00 177.57 177.04 1jy7 h LEU 110 N 0.00 1.05 -0.43 4.19 6.46 -1.23 -1.05 115.31 124.29 1jy7 h LEU 110 Ca -0.00 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1jy7 h LEU 110 Cb 0.66 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1jy7 h LEU 110 CO 0.04 1.05 0.24 0.58 -0.62 0.00 0.00 178.44 179.72 1jy7 h VAL 111 N 1.02 1.16 -0.75 1.05 2.07 -1.25 -0.27 116.25 119.27 1jy7 h VAL 111 Ca 0.20 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1jy7 h VAL 111 Cb 0.46 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1jy7 h VAL 111 CO 0.02 0.17 0.50 0.00 0.02 0.00 0.00 177.57 178.27 1jy7 h VAL 113 N 0.99 1.30 -0.41 0.00 2.07 -0.45 -2.02 116.25 117.73 1jy7 h VAL 113 Ca 0.28 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1jy7 h VAL 113 Cb -0.06 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1jy7 h VAL 113 CO -0.07 0.56 0.22 -0.07 0.02 0.00 0.00 177.57 178.23 1jy7 h LEU 114 N 0.49 0.51 -1.44 2.57 3.38 -0.79 -1.46 115.31 118.56 1jy7 h LEU 114 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1jy7 h LEU 114 Cb 1.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jy7 h LEU 114 CO 0.12 0.45 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1jy7 h ALA 115 N 1.08 1.00 0.04 1.53 0.00 -1.22 -2.02 119.26 119.66 1jy7 h ALA 115 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1jy7 h ALA 115 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jy7 h ALA 115 CO -0.02 0.00 -0.61 1.25 0.00 0.00 0.00 179.25 179.87 1jy7 h HIS 116 N 0.00 0.54 0.16 0.00 6.17 -0.50 -3.24 115.15 118.28 1jy7 h HIS 116 Ca 0.00 -0.32 -0.26 0.00 0.71 0.00 0.00 60.37 60.50 1jy7 h HIS 116 Cb 0.31 -0.05 0.01 0.00 2.52 0.00 0.00 27.41 30.20 1jy7 h HIS 116 CO 0.00 1.17 -1.26 0.45 0.71 0.00 0.00 177.93 178.99 1jy7 h HIS 117 N -0.24 0.60 0.00 5.26 3.86 -1.35 -3.32 115.15 119.96 1jy7 h HIS 117 Ca -0.09 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1jy7 h HIS 117 Cb 1.36 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1jy7 h HIS 117 CO 0.17 1.49 0.00 1.19 0.86 0.00 0.00 177.93 181.63 1jy7 n PHE 118 N -3.92 0.00 0.00 2.45 0.99 -0.77 -4.90 117.46 111.31 1jy7 n PHE 118 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 1jy7 n PHE 118 Cb 0.93 -0.04 0.00 0.00 -1.00 0.00 0.00 39.48 39.37 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 0.26 0.41 0.24 1.37 0.00 -1.22 0.97 105.19 107.23 1jy7 n GLY 119 Ca 0.00 0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 0.91 0.22 1.61 5.02 -1.26 -3.73 118.16 120.93 1jy7 n LYS 120 Ca 0.00 -0.49 0.13 0.00 -2.02 0.00 0.00 58.31 55.93 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 1.19 0.00 -5.48 1.97 5.08 0.21 -3.38 114.58 114.17 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 0.47 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 1jy7 h GLU 121 CO 0.00 0.00 1.89 0.12 -1.00 0.00 0.00 179.01 180.02 1jy7 s PHE 122 N -3.27 3.02 0.63 4.33 5.36 -1.17 -4.98 117.98 121.91 1jy7 s PHE 122 Ca 0.06 -1.78 -0.10 0.00 -0.96 0.00 0.00 56.93 54.15 1jy7 s PHE 122 Cb 0.06 -4.60 -0.02 0.00 -0.34 0.00 0.00 43.02 38.12 1jy7 s PHE 122 CO 0.65 -1.67 1.01 0.95 -1.46 0.00 0.00 175.22 174.70 1jy7 s THR 123 N 3.33 4.19 0.26 0.12 -4.23 -1.26 -4.81 115.64 113.24 1jy7 s THR 123 Ca 0.50 0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 61.54 1jy7 s THR 123 Cb 0.02 -3.69 0.24 0.00 1.34 0.00 0.00 72.50 70.41 1jy7 s THR 123 CO 0.05 -0.86 1.71 -0.65 -0.54 0.00 0.00 174.62 174.33 1jy7 h PRO 124 N -0.35 0.38 -0.07 3.99 0.11 -1.97 0.22 132.00 134.31 1jy7 h PRO 124 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1jy7 h PRO 124 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1jy7 h PRO 124 CO 0.62 0.25 -0.04 -1.35 -0.21 0.00 0.00 178.00 177.27 1jy7 h PRO 125 N 0.39 0.10 0.05 1.05 0.11 -1.99 0.18 132.00 131.89 1jy7 h PRO 125 Ca 0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.55 1jy7 h PRO 125 Cb 0.76 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1jy7 h PRO 125 CO -0.46 0.15 -0.02 0.28 -0.21 0.00 0.00 178.00 177.73 1jy7 h VAL 126 N 0.10 1.31 -0.43 3.15 2.07 -1.05 -2.74 116.25 118.66 1jy7 h VAL 126 Ca 0.02 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.17 1jy7 h VAL 126 Cb 0.15 2.24 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 1jy7 h VAL 126 CO 0.01 0.35 -0.03 -0.61 0.02 0.00 0.00 177.57 177.31 1jy7 h GLN 127 N -0.74 0.08 -1.00 1.57 4.15 -0.39 0.20 115.11 118.98 1jy7 h GLN 127 Ca -0.01 -0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.54 1jy7 h GLN 127 Cb 0.63 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.21 1jy7 h GLN 127 CO 0.01 0.05 0.63 0.00 -1.93 0.00 0.00 178.83 177.59 1jy7 h ALA 128 N 1.39 1.55 0.36 3.38 0.00 -0.70 0.09 119.26 125.34 1jy7 h ALA 128 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1jy7 h ALA 128 Cb 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jy7 h ALA 128 CO -0.38 0.17 -0.17 0.00 0.00 0.00 0.00 179.25 178.87 1jy7 h ALA 129 N 1.56 -0.49 -0.85 0.00 0.00 -0.36 -3.19 119.26 115.93 1jy7 h ALA 129 Ca 0.51 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.36 1jy7 h ALA 129 Cb 0.57 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1jy7 h ALA 129 CO -0.29 -0.57 0.55 1.88 0.00 0.00 0.00 179.25 180.82 1jy7 h TYR 130 N -0.89 0.81 -0.74 0.00 0.05 -0.75 -0.59 116.97 114.86 1jy7 h TYR 130 Ca -0.05 0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.89 1jy7 h TYR 130 Cb 0.54 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 1jy7 h TYR 130 CO 0.03 0.34 0.49 1.96 -1.05 0.00 0.00 178.16 179.93 1jy7 h GLN 131 N 0.72 0.42 -0.16 4.88 1.08 -0.97 -0.53 115.11 120.56 1jy7 h GLN 131 Ca 0.41 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.44 1jy7 h GLN 131 Cb 0.58 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1jy7 h GLN 131 CO -0.18 0.28 -0.48 0.87 -0.95 0.00 0.00 178.83 178.38 1jy7 h LYS 132 N 0.44 0.60 0.66 1.46 1.57 -1.13 -1.90 116.57 118.26 1jy7 h LYS 132 Ca 0.36 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1jy7 h LYS 132 Cb 0.78 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1jy7 h LYS 132 CO -0.12 1.06 -0.49 0.28 -0.57 0.00 0.00 179.45 179.61 1jy7 h VAL 133 N 0.25 0.03 -0.87 0.50 2.07 -1.04 -1.51 116.25 115.68 1jy7 h VAL 133 Ca -0.02 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.73 1jy7 h VAL 133 Cb 1.10 0.03 -0.14 0.00 -1.52 0.00 0.00 31.29 30.76 1jy7 h VAL 133 CO 0.10 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.52 1jy7 h VAL 134 N -1.10 0.34 -0.58 2.57 2.07 -1.22 0.15 116.25 118.48 1jy7 h VAL 134 Ca -0.08 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jy7 h VAL 134 Cb 0.91 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1jy7 h VAL 134 CO 0.03 0.04 0.27 0.00 0.02 0.00 0.00 177.57 177.93 1jy7 h ALA 135 N 1.77 0.75 -0.52 1.67 0.00 -0.67 -2.20 119.26 120.06 1jy7 h ALA 135 Ca 0.55 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1jy7 h ALA 135 Cb 1.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1jy7 h ALA 135 CO -0.64 0.33 -0.12 0.78 0.00 0.00 0.00 179.25 179.60 1jy7 h GLY 136 N 0.79 1.08 0.64 0.00 0.00 -0.03 -0.29 103.07 105.27 1jy7 h GLY 136 Ca 0.20 -0.89 0.08 0.00 0.00 0.00 0.00 47.33 46.72 1jy7 h GLY 136 CO -0.02 0.81 0.61 -2.08 0.00 0.00 0.00 176.54 175.86 1jy7 h VAL 137 N 0.87 1.02 -0.00 4.60 2.07 -1.03 0.63 116.25 124.41 1jy7 h VAL 137 Ca 0.13 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1jy7 h VAL 137 Cb 0.68 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1jy7 h VAL 137 CO 0.05 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.79 1jy7 h ALA 138 N 1.47 0.01 -0.82 1.67 0.00 -1.17 -3.14 119.26 117.28 1jy7 h ALA 138 Ca 0.44 -0.38 0.21 0.00 0.00 0.00 0.00 54.91 55.18 1jy7 h ALA 138 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1jy7 h ALA 138 CO -0.21 -0.10 0.57 -0.97 0.00 0.00 0.00 179.25 178.54 1jy7 h ASN 139 N -0.67 0.21 0.22 0.00 -0.73 -0.60 -1.64 115.58 112.36 1jy7 h ASN 139 Ca -0.00 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1jy7 h ASN 139 Cb 0.77 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1jy7 h ASN 139 CO 0.01 0.09 -0.11 0.00 -0.37 0.00 0.00 177.43 177.05 1jy7 h ALA 140 N 1.62 -0.30 -0.08 1.57 0.00 -0.88 -3.02 119.26 118.17 1jy7 h ALA 140 Ca 0.41 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1jy7 h ALA 140 Cb 1.29 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1jy7 h ALA 140 CO -0.09 -0.51 0.06 -0.07 0.00 0.00 0.00 179.25 178.64 1jy7 h LEU 141 N -0.60 0.00 0.00 0.00 3.38 -1.25 -1.24 115.31 115.60 1jy7 h LEU 141 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jy7 h LEU 141 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1jy7 h LEU 141 CO 0.05 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.37 1jy7 n ALA 142 N -2.50 2.52 -0.27 1.53 0.00 -1.09 -4.04 120.51 116.67 1jy7 n ALA 142 Ca -0.01 -0.11 0.22 0.00 0.00 0.00 0.00 53.44 53.54 1jy7 n ALA 142 Cb 0.17 -1.37 0.54 0.00 0.00 0.00 0.00 19.45 18.79 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 0.51 -0.55 0.00 6.17 -1.09 -2.09 115.15 118.10 1jy7 h HIS 143 Ca 0.00 0.02 0.11 0.00 0.71 0.00 0.00 60.37 61.21 1jy7 h HIS 143 Cb 0.72 -0.15 -0.09 0.00 2.52 0.00 0.00 27.41 30.41 1jy7 h HIS 143 CO 0.00 0.10 0.01 -0.22 0.71 0.00 0.00 177.93 178.53 1jy7 h LYS 144 N 0.36 0.13 0.00 5.26 1.63 -1.76 -3.22 116.57 118.96 1jy7 h LYS 144 Ca 0.51 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1jy7 h LYS 144 Cb 1.36 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1jy7 h LYS 144 CO -0.19 0.08 0.00 0.66 -3.45 0.00 0.00 179.45 176.55 1jy7 n TYR 145 N -5.24 0.00 1.24 1.91 4.01 -0.78 -5.08 117.16 113.22 1jy7 n TYR 145 Ca 0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.91 1jy7 n TYR 145 Cb 0.30 -0.36 0.59 0.00 -0.31 0.00 0.00 39.34 39.57 1jy7 n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01