#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j41 n HIS 2 N 0.00 -1.83 -3.44 3.52 1.44 -1.26 -5.06 115.22 108.58 1j41 n HIS 2 Ca 0.00 -2.31 -0.37 0.00 -2.01 0.00 0.00 57.72 53.03 1j41 n HIS 2 Cb 0.00 1.13 -0.06 0.00 0.12 0.00 0.00 29.99 31.18 1j41 n HIS 2 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1j41 s LEU 3 N -2.80 4.31 0.62 2.39 1.02 -1.26 -5.09 118.68 117.87 1j41 s LEU 3 Ca 0.25 0.74 -0.11 0.00 0.02 0.00 0.00 54.13 55.02 1j41 s LEU 3 Cb 0.37 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 1j41 s LEU 3 CO -0.06 0.12 1.03 0.28 0.02 0.00 0.00 176.35 177.74 1j41 s THR 4 N 0.14 4.68 0.15 5.49 -1.32 -1.26 -4.80 115.64 118.73 1j41 s THR 4 Ca 0.22 0.89 -0.27 0.00 -1.21 0.00 0.00 61.69 61.31 1j41 s THR 4 Cb -0.15 -3.85 -0.01 0.00 -1.51 0.00 0.00 72.50 66.99 1j41 s THR 4 CO 0.09 -1.12 1.57 -0.65 -2.21 0.00 0.00 174.62 172.30 1j41 h PRO 5 N -0.28 -0.31 0.00 7.08 0.11 -1.99 0.14 132.00 136.75 1j41 h PRO 5 Ca -0.44 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1j41 h PRO 5 Cb 1.19 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1j41 h PRO 5 CO 0.62 -0.21 -0.20 1.05 -0.21 0.00 0.00 178.00 179.05 1j41 h GLU 6 N -0.33 0.00 -0.07 1.05 9.09 -1.99 -1.48 114.58 120.86 1j41 h GLU 6 Ca 0.14 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.49 1j41 h GLU 6 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1j41 h GLU 6 CO -0.58 0.20 -0.16 0.93 0.05 0.00 0.00 179.01 179.45 1j41 h GLU 7 N 0.00 0.23 -0.57 1.06 5.08 -1.73 -0.61 114.58 118.04 1j41 h GLU 7 Ca -0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1j41 h GLU 7 Cb 0.43 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1j41 h GLU 7 CO 0.03 0.75 0.37 0.87 -1.00 0.00 0.00 179.01 180.03 1j41 h LYS 8 N -0.27 0.74 -0.36 2.33 1.57 -0.55 0.40 116.57 120.44 1j41 h LYS 8 Ca -0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1j41 h LYS 8 Cb 0.76 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1j41 h LYS 8 CO 0.03 0.49 0.20 1.03 -0.57 0.00 0.00 179.45 180.63 1j41 h SER 9 N 0.76 0.32 -0.59 0.86 0.87 -1.32 -1.56 113.55 112.89 1j41 h SER 9 Ca 0.21 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1j41 h SER 9 Cb -0.07 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1j41 h SER 9 CO -0.06 0.23 0.38 0.00 -0.53 0.00 0.00 176.83 176.85 1j41 h ALA 10 N 1.16 0.75 -0.05 6.23 0.00 -0.66 -1.02 119.26 125.68 1j41 h ALA 10 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1j41 h ALA 10 Cb 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1j41 h ALA 10 CO -0.08 0.20 0.03 0.28 0.00 0.00 0.00 179.25 179.69 1j41 h VAL 11 N 0.80 1.05 -0.09 0.00 2.07 -0.72 -2.02 116.25 117.35 1j41 h VAL 11 Ca 0.21 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1j41 h VAL 11 Cb -0.06 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1j41 h VAL 11 CO -0.04 0.04 -0.04 0.74 0.02 0.00 0.00 177.57 178.29 1j41 h THR 12 N 0.02 0.87 -0.37 2.57 2.02 -1.10 -0.05 112.91 116.86 1j41 h THR 12 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1j41 h THR 12 Cb 0.05 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1j41 h THR 12 CO -0.00 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.12 1j41 h ALA 13 N 1.06 0.48 -0.47 6.16 0.00 -1.15 -1.58 119.26 123.76 1j41 h ALA 13 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1j41 h ALA 13 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j41 h ALA 13 CO -0.11 -0.03 0.10 1.25 0.00 0.00 0.00 179.25 180.46 1j41 h LEU 14 N 0.49 0.72 -1.37 0.00 7.12 -1.22 -3.02 115.31 118.04 1j41 h LEU 14 Ca 0.13 -0.24 -0.06 0.00 0.13 0.00 0.00 57.88 57.84 1j41 h LEU 14 Cb -0.01 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 39.92 1j41 h LEU 14 CO -0.03 0.78 -0.23 -0.25 -0.13 0.00 0.00 178.44 178.59 1j41 h TRP 15 N 0.64 0.13 0.00 1.25 2.91 -0.72 0.15 115.95 120.31 1j41 h TRP 15 Ca 0.15 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1j41 h TRP 15 Cb 0.35 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1j41 h TRP 15 CO 0.02 0.35 0.00 0.41 -1.03 0.00 0.00 178.44 178.19 1j41 n GLY 16 N -0.74 -0.82 0.52 2.65 0.00 -0.62 -1.70 105.19 104.48 1j41 n GLY 16 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1j41 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j41 n LYS 17 N -1.55 1.37 -2.60 1.61 5.02 0.02 -5.01 118.16 117.03 1j41 n LYS 17 Ca 0.02 -1.19 -0.42 0.00 -2.02 0.00 0.00 58.31 54.70 1j41 n LYS 17 Cb 0.10 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1j41 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j41 s VAL 18 N -1.46 4.58 -0.51 -0.18 1.01 -0.69 -5.00 120.40 118.15 1j41 s VAL 18 Ca 0.16 1.85 -0.23 0.00 0.00 0.00 0.00 61.98 63.76 1j41 s VAL 18 Cb 0.13 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.36 1j41 s VAL 18 CO 0.25 0.09 0.84 0.21 0.00 0.00 0.00 175.10 176.49 1j41 s ASN 19 N 1.11 6.34 0.35 3.32 3.84 -1.26 -4.94 114.94 123.70 1j41 s ASN 19 Ca 0.53 -0.38 0.11 0.00 0.21 0.00 0.00 52.86 53.34 1j41 s ASN 19 Cb -0.23 -2.39 0.64 0.00 -0.55 0.00 0.00 41.25 38.72 1j41 s ASN 19 CO 0.25 -1.07 1.79 -0.37 -2.79 0.00 0.00 177.10 174.91 1j41 h VAL 20 N 5.98 1.29 -0.17 -5.21 -1.51 -1.96 0.01 116.25 114.68 1j41 h VAL 20 Ca -0.26 -1.38 -0.01 0.00 -1.23 0.00 0.00 66.70 63.82 1j41 h VAL 20 Cb 1.08 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 1j41 h VAL 20 CO 1.03 0.40 0.06 0.44 -1.23 0.00 0.00 177.57 178.27 1j41 h ASP 21 N 0.05 0.24 0.14 4.19 5.19 -1.95 0.71 116.42 124.99 1j41 h ASP 21 Ca 0.00 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1j41 h ASP 21 Cb 0.72 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1j41 h ASP 21 CO 0.05 0.36 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.13 1j41 h GLU 22 N 0.11 -0.18 -0.29 3.56 5.08 -1.94 -2.22 114.58 118.70 1j41 h GLU 22 Ca 0.06 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1j41 h GLU 22 Cb 0.20 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1j41 h GLU 22 CO -0.00 0.24 -0.44 0.28 -1.00 0.00 0.00 179.01 178.08 1j41 h VAL 23 N -0.69 1.29 -0.15 3.13 2.07 -1.03 -0.80 116.25 120.06 1j41 h VAL 23 Ca -0.02 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 1j41 h VAL 23 Cb 0.51 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1j41 h VAL 23 CO 0.03 0.53 -0.07 1.23 0.02 0.00 0.00 177.57 179.30 1j41 h GLY 24 N 0.92 0.35 1.00 2.17 0.00 -0.95 0.12 103.07 106.68 1j41 h GLY 24 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1j41 h GLY 24 CO 0.09 0.28 0.25 -1.33 0.00 0.00 0.00 176.54 175.84 1j41 h GLY 25 N -0.01 0.53 1.02 4.60 0.00 -1.35 -2.23 103.07 105.63 1j41 h GLY 25 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1j41 h GLY 25 CO 0.02 0.20 0.31 0.83 0.00 0.00 0.00 176.54 177.90 1j41 h GLU 26 N 0.51 1.03 0.15 4.80 4.39 -1.07 -0.85 114.58 123.54 1j41 h GLU 26 Ca 0.14 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1j41 h GLU 26 Cb -0.06 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1j41 h GLU 26 CO -0.03 0.83 -0.07 0.00 -1.16 0.00 0.00 179.01 178.58 1j41 h ALA 27 N 1.15 -0.20 -0.69 3.43 0.00 -0.84 0.42 119.26 122.53 1j41 h ALA 27 Ca 0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1j41 h ALA 27 Cb 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1j41 h ALA 27 CO -0.03 -0.45 0.22 1.25 0.00 0.00 0.00 179.25 180.25 1j41 h LEU 28 N -0.52 1.00 -0.20 0.00 5.85 -1.43 -1.63 115.31 118.37 1j41 h LEU 28 Ca -0.02 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1j41 h LEU 28 Cb 0.41 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1j41 h LEU 28 CO 0.03 0.94 0.11 1.23 -0.34 0.00 0.00 178.44 180.41 1j41 h GLY 29 N 1.01 0.27 1.61 3.75 0.00 -1.14 -2.09 103.07 106.46 1j41 h GLY 29 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1j41 h GLY 29 CO -0.01 0.07 -0.11 3.21 0.00 0.00 0.00 176.54 179.71 1j41 h ARG 30 N 0.22 0.48 -0.60 4.80 3.08 -0.81 -0.84 114.38 120.71 1j41 h ARG 30 Ca 0.08 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1j41 h ARG 30 Cb 0.01 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 1j41 h ARG 30 CO -0.05 0.59 0.29 1.25 -1.07 0.00 0.00 179.97 180.98 1j41 h LEU 31 N 0.45 0.40 -0.87 3.04 5.85 -0.84 0.12 115.31 123.45 1j41 h LEU 31 Ca 0.09 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1j41 h LEU 31 Cb 0.46 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1j41 h LEU 31 CO 0.03 0.26 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.91 1j41 h LEU 32 N 0.54 0.00 0.08 2.25 3.38 -0.71 -0.96 115.31 119.90 1j41 h LEU 32 Ca 0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.04 1j41 h LEU 32 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1j41 h LEU 32 CO -0.21 0.40 -1.06 0.58 0.09 0.00 0.00 178.44 178.24 1j41 h VAL 33 N 0.00 1.21 0.00 1.22 2.07 -0.82 -3.26 116.25 116.68 1j41 h VAL 33 Ca -0.00 -2.38 -0.21 0.00 0.82 0.00 0.00 66.70 64.93 1j41 h VAL 33 Cb 0.94 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1j41 h VAL 33 CO 0.05 0.63 -0.90 0.58 0.02 0.00 0.00 177.57 177.95 1j41 h VAL 34 N -0.54 1.45 -2.18 2.57 2.07 -0.80 -3.35 116.25 115.46 1j41 h VAL 34 Ca -0.24 -2.53 -0.59 0.00 0.82 0.00 0.00 66.70 64.16 1j41 h VAL 34 Cb 1.54 2.43 -0.41 0.00 -1.52 0.00 0.00 31.29 33.34 1j41 h VAL 34 CO 0.02 0.75 -0.74 -1.22 0.02 0.00 0.00 177.57 176.39 1j41 n TYR 35 N -3.70 2.41 0.32 1.57 4.01 -0.36 -4.98 117.16 116.43 1j41 n TYR 35 Ca -0.05 -3.98 0.20 0.00 -0.16 0.00 0.00 57.90 53.91 1j41 n TYR 35 Cb 0.82 -0.49 1.12 0.00 -0.31 0.00 0.00 39.34 40.47 1j41 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j41 h PRO 36 N 4.21 0.00 0.00 -0.72 0.13 -1.70 -0.55 132.00 133.37 1j41 h PRO 36 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1j41 h PRO 36 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1j41 h PRO 36 CO 0.72 0.00 -0.04 0.11 -0.23 0.00 0.00 178.00 178.57 1j41 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.60 115.95 114.08 1j41 h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j41 h TRP 37 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.27 1j41 h TRP 37 CO 0.00 0.04 0.00 0.25 0.09 0.00 0.00 178.44 178.82 1j41 n THR 38 N -3.59 0.91 0.33 0.12 -2.24 -0.22 -2.05 114.28 107.54 1j41 n THR 38 Ca -0.02 0.41 0.22 0.00 -2.27 0.00 0.00 64.05 62.39 1j41 n THR 38 Cb 0.13 -1.37 1.15 0.00 -2.10 0.00 0.00 70.33 68.15 1j41 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1j41 h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.49 -2.50 115.11 114.54 1j41 h GLN 39 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1j41 h GLN 39 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1j41 h GLN 39 CO 0.00 0.00 -0.01 0.07 -0.67 0.00 0.00 178.83 178.22 1j41 h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.63 0.15 114.38 114.46 1j41 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j41 h ARG 40 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1j41 h ARG 40 CO 0.00 0.01 -0.07 1.19 0.10 0.00 0.00 179.97 181.20 1j41 n PHE 41 N -3.14 0.00 -2.15 4.08 3.72 -0.94 -4.13 117.46 114.90 1j41 n PHE 41 Ca -0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1j41 n PHE 41 Cb 0.15 -0.15 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1j41 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j41 n PHE 42 N -0.91 0.39 -0.09 1.38 3.72 0.04 -4.86 117.46 117.12 1j41 n PHE 42 Ca 0.16 -1.21 0.09 0.00 -0.05 0.00 0.00 57.45 56.45 1j41 n PHE 42 Cb 0.25 -0.21 0.45 0.00 -0.94 0.00 0.00 39.48 39.03 1j41 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j41 h GLU 43 N 1.28 0.50 0.00 -1.08 4.39 -1.71 -0.94 114.58 117.02 1j41 h GLU 43 Ca -0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1j41 h GLU 43 Cb 1.46 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1j41 h GLU 43 CO 0.13 0.33 0.00 -1.13 -1.16 0.00 0.00 179.01 177.18 1j41 n SER 44 N -4.48 0.00 -0.09 1.42 3.41 -1.26 -3.38 113.62 109.24 1j41 n SER 44 Ca 0.09 0.26 0.14 0.00 -0.26 0.00 0.00 58.87 59.10 1j41 n SER 44 Cb 0.28 -0.38 0.68 0.00 -0.26 0.00 0.00 64.21 64.53 1j41 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j41 n PHE 45 N -1.38 0.00 -0.68 7.33 3.01 -0.36 -5.01 117.46 120.37 1j41 n PHE 45 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1j41 n PHE 45 Cb 0.14 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1j41 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j41 n GLY 46 N 1.24 0.73 3.64 1.37 0.00 -1.22 -4.73 105.19 106.23 1j41 n GLY 46 Ca 0.16 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1j41 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j41 s ASP 47 N -4.00 6.83 -0.07 1.61 2.15 -1.26 -4.85 116.67 117.08 1j41 s ASP 47 Ca 0.00 1.32 0.14 0.00 0.43 0.00 0.00 52.55 54.44 1j41 s ASP 47 Cb 0.00 -2.54 0.28 0.00 -0.30 0.00 0.00 42.92 40.36 1j41 s ASP 47 CO 0.00 -0.92 1.13 0.18 -0.17 0.00 0.00 175.17 175.39 1j41 n LEU 48 N 7.10 1.32 0.16 -1.34 4.77 -1.26 -4.26 117.00 123.47 1j41 n LEU 48 Ca 0.14 -2.31 0.12 0.00 -0.03 0.00 0.00 56.01 53.93 1j41 n LEU 48 Cb 0.46 -0.19 0.15 0.00 -2.33 0.00 0.00 43.42 41.51 1j41 n LEU 48 CO 0.59 0.66 0.54 0.77 -1.33 0.00 0.00 177.39 178.62 1j41 h SER 49 N 0.53 0.00 -4.98 -1.43 4.64 -1.92 -3.44 113.55 106.95 1j41 h SER 49 Ca -0.07 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.03 1j41 h SER 49 Cb 1.41 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.35 1j41 h SER 49 CO 0.03 0.01 -0.67 0.42 -0.87 0.00 0.00 176.83 175.75 1j41 s THR 50 N -3.24 0.40 0.18 2.95 -4.23 -1.26 -5.04 115.64 105.41 1j41 s THR 50 Ca 0.05 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 1j41 s THR 50 Cb 0.08 -1.78 0.08 0.00 1.34 0.00 0.00 72.50 72.22 1j41 s THR 50 CO 0.70 -0.76 1.79 -0.65 -0.54 0.00 0.00 174.62 175.16 1j41 h PRO 51 N 2.96 0.52 -0.42 3.99 0.11 -1.99 -1.10 132.00 136.08 1j41 h PRO 51 Ca -0.35 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1j41 h PRO 51 Cb 1.17 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1j41 h PRO 51 CO 0.64 0.34 0.01 -0.44 -0.21 0.00 0.00 178.00 178.34 1j41 h ASP 52 N 0.53 0.63 -0.56 -2.05 3.45 -1.99 -1.11 116.42 115.33 1j41 h ASP 52 Ca 0.23 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 1j41 h ASP 52 Cb 0.11 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 1j41 h ASP 52 CO -0.15 0.69 0.09 0.00 -1.57 0.00 0.00 179.24 178.30 1j41 h ALA 53 N 1.39 0.74 0.04 3.45 0.00 -1.75 -1.80 119.26 121.32 1j41 h ALA 53 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1j41 h ALA 53 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j41 h ALA 53 CO 0.01 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 180.01 1j41 h VAL 54 N 0.81 1.05 0.00 0.00 2.07 -0.77 -1.50 116.25 117.91 1j41 h VAL 54 Ca 0.17 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1j41 h VAL 54 Cb 0.41 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1j41 h VAL 54 CO 0.01 0.07 -0.42 0.24 0.02 0.00 0.00 177.57 177.49 1j41 h MET 55 N -0.17 0.00 -0.02 1.57 2.07 -1.09 -2.67 114.93 114.62 1j41 h MET 55 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1j41 h MET 55 Cb 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1j41 h MET 55 CO 0.01 0.42 -0.12 0.41 1.07 0.00 0.00 176.91 178.70 1j41 n GLY 56 N -0.26 0.40 3.66 8.32 0.00 -0.69 -4.79 105.19 111.82 1j41 n GLY 56 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1j41 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j41 s ASN 57 N -2.14 6.50 0.43 1.61 3.84 -0.57 -4.89 114.94 119.71 1j41 s ASN 57 Ca 0.28 2.43 0.10 0.00 0.21 0.00 0.00 52.86 55.88 1j41 s ASN 57 Cb 0.20 -2.53 0.94 0.00 -0.55 0.00 0.00 41.25 39.31 1j41 s ASN 57 CO 0.38 -1.04 2.05 -0.65 -2.79 0.00 0.00 177.10 175.05 1j41 h PRO 58 N 10.34 0.46 -0.19 0.43 0.11 -1.90 -1.18 132.00 140.06 1j41 h PRO 58 Ca -0.44 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 1j41 h PRO 58 Cb 1.21 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1j41 h PRO 58 CO 0.95 0.30 -0.70 0.87 -0.21 0.00 0.00 178.00 179.21 1j41 h LYS 59 N 0.47 0.81 -0.29 1.05 1.57 -1.90 -0.42 116.57 117.86 1j41 h LYS 59 Ca 0.17 -0.61 0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1j41 h LYS 59 Cb 0.11 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1j41 h LYS 59 CO -0.04 1.22 0.11 0.28 -0.57 0.00 0.00 179.45 180.45 1j41 h VAL 60 N 0.57 0.94 -0.31 0.50 2.07 -1.76 0.90 116.25 119.17 1j41 h VAL 60 Ca -0.03 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1j41 h VAL 60 Cb 1.32 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1j41 h VAL 60 CO 0.15 0.05 0.05 0.11 0.02 0.00 0.00 177.57 177.94 1j41 h LYS 61 N 0.25 0.51 -0.73 1.57 1.57 -1.13 0.28 116.57 118.88 1j41 h LYS 61 Ca 0.12 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1j41 h LYS 61 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1j41 h LYS 61 CO -0.12 0.61 0.36 0.00 -0.57 0.00 0.00 179.45 179.73 1j41 h ALA 62 N 0.88 0.95 -0.37 3.86 0.00 -0.97 -2.29 119.26 121.31 1j41 h ALA 62 Ca 0.09 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1j41 h ALA 62 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j41 h ALA 62 CO 0.01 0.51 -0.40 1.25 0.00 0.00 0.00 179.25 180.61 1j41 h HIS 63 N 1.03 1.12 -0.89 0.00 -0.00 -0.62 -2.25 115.15 113.54 1j41 h HIS 63 Ca 0.25 -0.34 0.05 0.00 -0.00 0.00 0.00 60.37 60.33 1j41 h HIS 63 Cb 0.11 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.23 1j41 h HIS 63 CO 0.01 1.17 0.58 0.78 -0.00 0.00 0.00 177.93 180.47 1j41 h GLY 64 N 0.74 1.29 1.03 5.26 0.00 -0.80 0.12 103.07 110.71 1j41 h GLY 64 Ca 0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1j41 h GLY 64 CO 0.10 0.32 -0.01 1.70 0.00 0.00 0.00 176.54 178.66 1j41 h LYS 65 N 1.04 0.93 -0.50 4.80 3.64 -1.16 -1.64 116.57 123.69 1j41 h LYS 65 Ca 0.37 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1j41 h LYS 65 Cb 0.14 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1j41 h LYS 65 CO -0.13 0.95 0.28 -0.22 -2.27 0.00 0.00 179.45 178.07 1j41 h LYS 66 N 0.81 0.69 -0.63 1.90 3.64 -0.75 -1.36 116.57 120.88 1j41 h LYS 66 Ca 0.15 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1j41 h LYS 66 Cb 0.54 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1j41 h LYS 66 CO 0.03 0.53 0.41 0.28 -2.27 0.00 0.00 179.45 178.43 1j41 h VAL 67 N 0.67 1.16 0.00 2.00 2.07 -0.87 -1.46 116.25 119.83 1j41 h VAL 67 Ca 0.18 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1j41 h VAL 67 Cb 0.03 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1j41 h VAL 67 CO -0.03 0.16 -0.19 -0.07 0.02 0.00 0.00 177.57 177.46 1j41 h LEU 68 N 0.85 0.00 -0.42 2.57 3.38 -1.01 -1.75 115.31 118.94 1j41 h LEU 68 Ca 0.23 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1j41 h LEU 68 Cb -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1j41 h LEU 68 CO -0.05 0.19 0.23 1.23 0.09 0.00 0.00 178.44 180.13 1j41 h GLY 69 N 0.71 0.58 1.10 0.83 0.00 -0.18 0.16 103.07 106.28 1j41 h GLY 69 Ca -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1j41 h GLY 69 CO 0.02 0.14 0.05 0.00 0.00 0.00 0.00 176.54 176.76 1j41 h ALA 70 N 1.20 0.89 -0.32 3.60 0.00 -1.03 -1.91 119.26 121.69 1j41 h ALA 70 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1j41 h ALA 70 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1j41 h ALA 70 CO -0.09 0.67 0.20 0.35 0.00 0.00 0.00 179.25 180.38 1j41 h PHE 71 N 1.00 0.38 -0.74 0.00 3.57 -0.99 -1.22 116.94 118.94 1j41 h PHE 71 Ca 0.19 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.78 1j41 h PHE 71 Cb 0.50 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 1j41 h PHE 71 CO 0.04 0.23 0.40 0.77 -2.23 0.00 0.00 178.31 177.52 1j41 h SER 72 N 0.41 0.55 -0.50 0.41 0.02 -0.47 -1.55 113.55 112.42 1j41 h SER 72 Ca 0.12 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1j41 h SER 72 Cb -0.03 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1j41 h SER 72 CO -0.04 0.32 0.29 0.44 -1.14 0.00 0.00 176.83 176.71 1j41 h ASP 73 N 0.68 0.46 -0.93 3.07 3.32 -0.95 -2.37 116.42 119.69 1j41 h ASP 73 Ca 0.36 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.52 1j41 h ASP 73 Cb 0.33 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.72 1j41 h ASP 73 CO -0.25 0.32 0.57 1.23 -1.72 0.00 0.00 179.24 179.40 1j41 h GLY 74 N 0.58 1.49 2.00 2.75 0.00 -0.36 -1.50 103.07 108.04 1j41 h GLY 74 Ca 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1j41 h GLY 74 CO -0.10 0.16 -0.06 1.41 0.00 0.00 0.00 176.54 177.95 1j41 h LEU 75 N 0.93 0.00 -0.17 3.11 3.38 -0.77 0.85 115.31 122.63 1j41 h LEU 75 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1j41 h LEU 75 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1j41 h LEU 75 CO -0.25 0.06 -0.17 0.00 0.09 0.00 0.00 178.44 178.17 1j41 n ALA 76 N -2.25 2.85 -2.68 1.53 0.00 -0.57 -4.24 120.51 115.14 1j41 n ALA 76 Ca -0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 1j41 n ALA 76 Cb 0.17 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.35 1j41 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j41 n HIS 77 N -1.12 1.44 0.29 0.00 8.25 0.28 -4.93 115.22 119.43 1j41 n HIS 77 Ca 0.11 -2.52 0.16 0.00 -0.26 0.00 0.00 57.72 55.22 1j41 n HIS 77 Cb 0.30 -0.30 0.88 0.00 1.12 0.00 0.00 29.99 32.00 1j41 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j41 h LEU 78 N 2.77 0.00 -1.12 2.41 -0.00 -1.70 -0.30 115.31 117.37 1j41 h LEU 78 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1j41 h LEU 78 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1j41 h LEU 78 CO 0.41 0.05 0.00 0.47 -0.00 0.00 0.00 178.44 179.37 1j41 n ASP 79 N -3.48 1.73 -2.72 -0.43 8.00 -1.26 -4.10 116.55 114.29 1j41 n ASP 79 Ca -0.02 -1.60 -0.10 0.00 0.71 0.00 0.00 54.79 53.79 1j41 n ASP 79 Cb 0.17 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.29 1j41 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j41 n ASN 80 N 0.35 0.65 -0.20 -2.24 5.15 -0.14 -4.95 115.26 113.88 1j41 n ASN 80 Ca 0.18 -2.72 -0.07 0.00 -0.60 0.00 0.00 54.58 51.38 1j41 n ASN 80 Cb 0.38 -0.18 0.08 0.00 -0.53 0.00 0.00 39.78 39.53 1j41 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j41 h LEU 81 N 2.81 0.98 -0.63 1.20 3.38 -1.69 -0.54 115.31 120.82 1j41 h LEU 81 Ca -0.11 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1j41 h LEU 81 Cb 1.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1j41 h LEU 81 CO 0.38 0.98 0.17 0.11 0.09 0.00 0.00 178.44 180.17 1j41 h LYS 82 N 0.96 0.99 -0.11 1.13 1.57 -1.90 -0.73 116.57 118.48 1j41 h LYS 82 Ca 0.19 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1j41 h LYS 82 Cb 0.42 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1j41 h LYS 82 CO 0.01 0.89 -0.02 0.78 -0.57 0.00 0.00 179.45 180.54 1j41 h GLY 83 N 0.91 0.23 0.62 3.86 0.00 -1.91 -2.63 103.07 104.14 1j41 h GLY 83 Ca 0.20 -0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.43 1j41 h GLY 83 CO -0.00 0.17 0.53 -0.84 0.00 0.00 0.00 176.54 176.40 1j41 h THR 84 N -0.10 0.98 -0.32 4.70 2.02 -0.91 -2.87 112.91 116.41 1j41 h THR 84 Ca 0.03 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1j41 h THR 84 Cb 0.42 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1j41 h THR 84 CO 0.01 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.56 1j41 n PHE 85 N -4.66 0.42 -0.12 3.16 3.72 -0.30 -4.56 117.46 115.13 1j41 n PHE 85 Ca 0.14 -0.21 -0.05 0.00 -0.05 0.00 0.00 57.45 57.28 1j41 n PHE 85 Cb 0.24 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1j41 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j41 h ALA 86 N 4.34 0.33 -0.22 4.37 0.00 -1.23 0.33 119.26 127.19 1j41 h ALA 86 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j41 h ALA 86 Cb 0.81 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1j41 h ALA 86 CO 0.00 -0.41 0.13 1.15 0.00 0.00 0.00 179.25 180.12 1j41 h THR 87 N 0.07 1.04 -0.35 0.00 2.02 -1.82 -1.07 112.91 112.80 1j41 h THR 87 Ca 0.19 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 1j41 h THR 87 Cb 0.28 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1j41 h THR 87 CO -0.34 0.05 -0.09 0.25 0.37 0.00 0.00 175.52 175.76 1j41 h LEU 88 N 0.28 0.57 0.03 2.58 5.85 -1.75 -1.27 115.31 121.58 1j41 h LEU 88 Ca 0.08 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1j41 h LEU 88 Cb -0.02 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1j41 h LEU 88 CO -0.03 0.70 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.48 1j41 h SER 89 N 0.54 -0.03 -0.90 1.25 0.87 0.10 0.14 113.55 115.53 1j41 h SER 89 Ca 0.10 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1j41 h SER 89 Cb 0.49 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1j41 h SER 89 CO 0.03 0.10 0.59 -0.33 -0.53 0.00 0.00 176.83 176.69 1j41 h GLU 90 N -0.16 1.13 -0.04 2.24 5.08 -1.03 -1.40 114.58 120.39 1j41 h GLU 90 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1j41 h GLU 90 Cb 0.15 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1j41 h GLU 90 CO 0.01 0.75 0.02 1.25 -1.00 0.00 0.00 179.01 180.04 1j41 h LEU 91 N 1.17 0.06 -1.24 1.33 5.85 -0.88 0.15 115.31 121.74 1j41 h LEU 91 Ca 0.34 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1j41 h LEU 91 Cb -0.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1j41 h LEU 91 CO -0.09 0.19 -0.15 0.45 -0.34 0.00 0.00 178.44 178.50 1j41 h HIS 92 N -0.08 0.35 0.22 1.25 3.86 -0.62 -1.38 115.15 118.77 1j41 h HIS 92 Ca 0.02 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1j41 h HIS 92 Cb 0.15 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1j41 h HIS 92 CO -0.02 0.48 -0.11 0.00 0.86 0.00 0.00 177.93 179.14 1j41 h ASP 94 N -0.90 0.76 0.01 0.00 3.32 -0.73 -2.77 116.42 116.11 1j41 h ASP 94 Ca -0.03 -0.55 -0.40 0.00 0.02 0.00 0.00 57.03 56.07 1j41 h ASP 94 Cb 0.23 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1j41 h ASP 94 CO 0.05 1.34 -2.39 1.17 -1.72 0.00 0.00 179.24 177.69 1j41 n LYS 95 N -3.85 0.64 0.05 3.56 4.81 -0.62 -4.68 118.16 118.07 1j41 n LYS 95 Ca -0.08 0.22 0.09 0.00 -0.87 0.00 0.00 58.31 57.67 1j41 n LYS 95 Cb 0.80 -1.54 -0.07 0.00 0.02 0.00 0.00 35.03 34.23 1j41 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j41 n LEU 96 N -3.63 0.53 -3.78 3.14 4.77 -0.62 -4.99 117.00 112.42 1j41 n LEU 96 Ca -0.46 0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.46 1j41 n LEU 96 Cb 0.95 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.08 1j41 n LEU 96 CO 0.21 -0.06 0.09 1.41 -1.33 0.00 0.00 177.39 177.71 1j41 n HIS 97 N -2.56 -2.31 -3.20 -1.77 8.25 -0.17 -4.95 115.22 108.50 1j41 n HIS 97 Ca -0.04 0.91 -0.40 0.00 -0.26 0.00 0.00 57.72 57.93 1j41 n HIS 97 Cb 0.62 -4.34 -0.07 0.00 1.12 0.00 0.00 29.99 27.32 1j41 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j41 s VAL 98 N -3.40 5.02 -0.00 1.59 1.01 -0.60 -5.03 120.40 118.99 1j41 s VAL 98 Ca 0.45 0.80 -0.33 0.00 0.00 0.00 0.00 61.98 62.91 1j41 s VAL 98 Cb -0.22 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 1j41 s VAL 98 CO 0.80 -0.03 1.86 -0.67 0.00 0.00 0.00 175.10 177.07 1j41 n ASP 99 N 5.68 3.65 0.12 3.32 -0.08 -1.26 -4.74 116.55 123.24 1j41 n ASP 99 Ca -0.03 0.97 0.09 0.00 -1.51 0.00 0.00 54.79 54.31 1j41 n ASP 99 Cb 0.49 -1.44 0.45 0.00 2.34 0.00 0.00 41.12 42.97 1j41 n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1j41 n PRO 100 N 6.32 0.12 -0.03 -0.67 -0.02 -1.26 -1.61 135.00 137.85 1j41 n PRO 100 Ca 0.21 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.45 1j41 n PRO 100 Cb 0.33 -1.84 0.66 0.00 -0.02 0.00 0.00 33.50 32.62 1j41 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j41 h GLU 101 N 0.00 0.08 0.00 -0.52 4.57 -1.98 -0.16 114.58 116.57 1j41 h GLU 101 Ca 0.00 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1j41 h GLU 101 Cb 0.06 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1j41 h GLU 101 CO 0.00 0.05 -0.08 -0.91 -1.18 0.00 0.00 179.01 176.89 1j41 h ASN 102 N 0.08 0.00 -0.10 1.04 4.21 -1.68 -2.21 115.58 116.93 1j41 h ASN 102 Ca 0.27 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.68 1j41 h ASN 102 Cb 0.98 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1j41 h ASN 102 CO -0.02 0.08 -0.25 -0.26 -1.29 0.00 0.00 177.43 175.69 1j41 h PHE 103 N 0.00 0.60 -0.29 1.19 0.04 -1.22 -0.61 116.94 116.66 1j41 h PHE 103 Ca -0.00 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1j41 h PHE 103 Cb 0.28 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1j41 h PHE 103 CO 0.00 0.74 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.35 1j41 h ARG 104 N 0.47 0.53 -0.34 1.51 2.43 -1.49 -1.50 114.38 115.99 1j41 h ARG 104 Ca 0.07 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1j41 h ARG 104 Cb 0.69 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1j41 h ARG 104 CO 0.05 0.69 0.14 -0.07 -1.51 0.00 0.00 179.97 179.27 1j41 h LEU 105 N 0.31 0.18 -0.83 3.80 3.38 -1.33 -1.75 115.31 119.08 1j41 h LEU 105 Ca 0.08 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1j41 h LEU 105 Cb 0.46 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1j41 h LEU 105 CO 0.02 0.14 0.02 0.25 0.09 0.00 0.00 178.44 178.97 1j41 h LEU 106 N 0.30 0.87 -0.79 1.67 5.85 -1.03 -0.91 115.31 121.27 1j41 h LEU 106 Ca 0.15 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1j41 h LEU 106 Cb 0.09 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1j41 h LEU 106 CO -0.13 0.91 0.52 1.23 -0.34 0.00 0.00 178.44 180.63 1j41 h GLY 107 N 1.00 1.12 1.56 3.75 0.00 -0.96 0.68 103.07 110.21 1j41 h GLY 107 Ca 0.16 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1j41 h GLY 107 CO 0.02 0.42 -0.57 3.43 0.00 0.00 0.00 176.54 179.83 1j41 h ASN 108 N 1.07 0.51 -0.61 0.19 2.35 -0.86 -1.58 115.58 116.65 1j41 h ASN 108 Ca 0.29 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1j41 h ASN 108 Cb -0.11 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1j41 h ASN 108 CO -0.06 0.97 0.23 0.58 -1.65 0.00 0.00 177.43 177.51 1j41 h VAL 109 N 0.35 1.23 -0.57 2.81 2.07 -0.75 -1.16 116.25 120.23 1j41 h VAL 109 Ca 0.00 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1j41 h VAL 109 Cb 1.10 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1j41 h VAL 109 CO 0.10 0.29 0.33 0.25 0.02 0.00 0.00 177.57 178.56 1j41 h LEU 110 N 0.86 0.51 -0.63 2.57 5.85 -0.63 0.33 115.31 124.16 1j41 h LEU 110 Ca 0.20 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1j41 h LEU 110 Cb 0.22 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1j41 h LEU 110 CO -0.01 0.35 0.39 0.58 -0.34 0.00 0.00 178.44 179.40 1j41 h VAL 111 N 0.64 1.07 -0.99 1.05 2.07 -0.96 0.15 116.25 119.28 1j41 h VAL 111 Ca 0.24 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1j41 h VAL 111 Cb 0.08 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1j41 h VAL 111 CO -0.13 0.14 0.65 0.00 0.02 0.00 0.00 177.57 178.25 1j41 h VAL 113 N 1.31 1.28 -0.55 0.00 2.07 -0.28 0.22 116.25 120.29 1j41 h VAL 113 Ca 0.38 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1j41 h VAL 113 Cb -0.09 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1j41 h VAL 113 CO -0.10 0.51 0.25 -0.07 0.02 0.00 0.00 177.57 178.18 1j41 h LEU 114 N 0.69 0.74 -0.60 2.57 3.38 -0.67 -1.16 115.31 120.26 1j41 h LEU 114 Ca 0.06 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1j41 h LEU 114 Cb 0.93 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1j41 h LEU 114 CO 0.09 0.68 0.35 0.00 0.09 0.00 0.00 178.44 179.64 1j41 h ALA 115 N 1.09 0.78 -0.60 1.53 0.00 -0.92 0.35 119.26 121.49 1j41 h ALA 115 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1j41 h ALA 115 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1j41 h ALA 115 CO -0.02 0.05 0.31 1.25 0.00 0.00 0.00 179.25 180.84 1j41 h HIS 116 N 0.67 0.85 -0.02 0.00 -0.00 -0.63 0.43 115.15 116.44 1j41 h HIS 116 Ca 0.25 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1j41 h HIS 116 Cb 0.09 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1j41 h HIS 116 CO -0.07 0.63 -0.07 1.25 -0.00 0.00 0.00 177.93 179.67 1j41 h HIS 117 N 0.82 0.11 0.00 5.26 6.17 -1.03 -3.36 115.15 123.12 1j41 h HIS 117 Ca 0.21 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.25 1j41 h HIS 117 Cb 0.08 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.00 1j41 h HIS 117 CO -0.01 0.70 -0.47 0.74 0.71 0.00 0.00 177.93 179.60 1j41 h PHE 118 N -0.52 0.00 0.00 5.26 0.04 -0.84 -3.49 116.94 117.39 1j41 h PHE 118 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1j41 h PHE 118 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1j41 h PHE 118 CO 0.14 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.26 1j41 n GLY 119 N 1.28 3.32 0.32 -1.45 0.00 0.13 -2.10 105.19 106.70 1j41 n GLY 119 Ca 0.03 -0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.03 1j41 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j41 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.94 0.02 116.57 119.90 1j41 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1j41 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j41 h LYS 120 CO 0.00 0.00 -0.15 1.49 -2.27 0.00 0.00 179.45 178.52 1j41 h GLU 121 N 0.00 0.00 -3.91 1.90 4.81 -1.82 -3.26 114.58 112.30 1j41 h GLU 121 Ca 0.03 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.53 1j41 h GLU 121 Cb 0.18 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 1j41 h GLU 121 CO -0.00 0.15 2.60 0.34 -0.73 0.00 0.00 179.01 181.36 1j41 n PHE 122 N -3.59 3.40 -1.17 0.92 7.35 -0.01 -4.93 117.46 119.42 1j41 n PHE 122 Ca -0.01 -2.91 -0.30 0.00 -0.76 0.00 0.00 57.45 53.47 1j41 n PHE 122 Cb 0.28 -2.31 0.13 0.00 0.35 0.00 0.00 39.48 37.93 1j41 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j41 s THR 123 N 2.07 2.85 0.24 -2.13 -4.23 -1.23 -4.66 115.64 108.54 1j41 s THR 123 Ca 0.44 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 61.18 1j41 s THR 123 Cb 0.11 -2.72 0.20 0.00 1.34 0.00 0.00 72.50 71.44 1j41 s THR 123 CO -0.04 -0.36 1.74 -0.65 -0.54 0.00 0.00 174.62 174.77 1j41 h PRO 124 N -1.45 0.47 -0.35 3.99 0.11 -1.93 0.48 132.00 133.32 1j41 h PRO 124 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1j41 h PRO 124 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1j41 h PRO 124 CO 0.52 0.31 0.02 -1.35 -0.21 0.00 0.00 178.00 177.30 1j41 h PRO 125 N 0.49 0.54 -0.25 1.05 0.11 -1.99 -0.66 132.00 131.29 1j41 h PRO 125 Ca 0.39 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 1j41 h PRO 125 Cb 0.55 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1j41 h PRO 125 CO -0.36 0.55 -0.14 0.28 -0.21 0.00 0.00 178.00 178.12 1j41 h VAL 126 N 0.52 1.30 -0.54 3.15 2.07 -1.62 -2.49 116.25 118.64 1j41 h VAL 126 Ca 0.11 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1j41 h VAL 126 Cb 0.30 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1j41 h VAL 126 CO 0.01 0.39 0.20 -0.61 0.02 0.00 0.00 177.57 177.57 1j41 h GLN 127 N 0.26 0.37 -0.98 1.57 4.15 -0.78 -1.84 115.11 117.87 1j41 h GLN 127 Ca 0.05 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1j41 h GLN 127 Cb 0.66 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 1j41 h GLN 127 CO 0.04 0.25 0.64 0.00 -1.93 0.00 0.00 178.83 177.82 1j41 h ALA 128 N 1.36 1.25 -0.40 3.38 0.00 -0.91 0.24 119.26 124.18 1j41 h ALA 128 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1j41 h ALA 128 Cb 0.28 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1j41 h ALA 128 CO -0.26 0.66 0.21 0.00 0.00 0.00 0.00 179.25 179.86 1j41 h ALA 129 N 1.35 0.51 -0.34 0.00 0.00 -1.13 -1.89 119.26 117.77 1j41 h ALA 129 Ca 0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1j41 h ALA 129 Cb -0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1j41 h ALA 129 CO -0.07 0.05 0.01 1.88 0.00 0.00 0.00 179.25 181.11 1j41 h TYR 130 N 0.51 0.54 -0.67 0.00 0.05 -0.45 -1.84 116.97 115.11 1j41 h TYR 130 Ca 0.14 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 1j41 h TYR 130 Cb 0.07 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1j41 h TYR 130 CO -0.02 0.53 0.16 1.96 -1.05 0.00 0.00 178.16 179.73 1j41 h GLN 131 N 0.50 1.07 -0.66 4.88 1.08 -0.25 0.27 115.11 122.00 1j41 h GLN 131 Ca 0.11 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1j41 h GLN 131 Cb 0.31 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 1j41 h GLN 131 CO 0.01 0.94 0.41 0.87 -0.95 0.00 0.00 178.83 180.11 1j41 h LYS 132 N 1.01 0.89 0.07 1.46 1.57 -0.88 -1.41 116.57 119.28 1j41 h LYS 132 Ca 0.21 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1j41 h LYS 132 Cb 0.36 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1j41 h LYS 132 CO 0.00 0.62 -0.03 0.28 -0.57 0.00 0.00 179.45 179.75 1j41 h VAL 133 N 0.89 1.07 -0.19 0.50 2.07 -0.84 -1.19 116.25 118.56 1j41 h VAL 133 Ca 0.24 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1j41 h VAL 133 Cb -0.05 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1j41 h VAL 133 CO -0.05 0.12 -0.27 -0.37 0.02 0.00 0.00 177.57 177.02 1j41 h VAL 134 N -0.31 1.26 -0.58 2.57 -1.51 -0.89 0.17 116.25 116.96 1j41 h VAL 134 Ca -0.01 -1.23 -0.07 0.00 -1.23 0.00 0.00 66.70 64.16 1j41 h VAL 134 Cb 0.27 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 1j41 h VAL 134 CO 0.02 0.38 0.09 0.00 -1.23 0.00 0.00 177.57 176.83 1j41 h ALA 135 N 1.41 0.77 -0.61 5.19 0.00 -1.22 -0.52 119.26 124.28 1j41 h ALA 135 Ca 0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1j41 h ALA 135 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1j41 h ALA 135 CO 0.05 0.52 0.11 0.78 0.00 0.00 0.00 179.25 180.71 1j41 h GLY 136 N 0.86 1.08 0.95 0.00 0.00 -0.22 -0.88 103.07 104.87 1j41 h GLY 136 Ca 0.18 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1j41 h GLY 136 CO 0.01 0.65 0.18 -2.08 0.00 0.00 0.00 176.54 175.31 1j41 h VAL 137 N 0.91 1.19 -0.47 4.60 2.07 -0.60 -0.42 116.25 123.54 1j41 h VAL 137 Ca 0.19 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1j41 h VAL 137 Cb 0.40 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1j41 h VAL 137 CO 0.01 0.21 0.20 0.00 0.02 0.00 0.00 177.57 178.01 1j41 h ALA 138 N 1.03 0.61 -0.63 1.67 0.00 -0.95 0.68 119.26 121.67 1j41 h ALA 138 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1j41 h ALA 138 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1j41 h ALA 138 CO -0.01 0.20 0.31 -0.97 0.00 0.00 0.00 179.25 178.78 1j41 h ASN 139 N 0.62 0.82 -0.60 0.00 -0.73 -1.04 -1.52 115.58 113.12 1j41 h ASN 139 Ca 0.16 -0.13 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 1j41 h ASN 139 Cb 0.17 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 1j41 h ASN 139 CO -0.02 0.71 0.23 0.00 -0.37 0.00 0.00 177.43 177.98 1j41 h ALA 140 N 1.14 0.78 0.00 1.57 0.00 -0.80 -2.26 119.26 119.69 1j41 h ALA 140 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1j41 h ALA 140 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1j41 h ALA 140 CO -0.03 0.41 -0.21 -0.07 0.00 0.00 0.00 179.25 179.36 1j41 h LEU 141 N 0.84 0.00 0.00 0.00 3.38 -0.58 -2.33 115.31 116.62 1j41 h LEU 141 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1j41 h LEU 141 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1j41 h LEU 141 CO -0.01 0.21 -0.09 0.00 0.09 0.00 0.00 178.44 178.63 1j41 n ALA 142 N -2.31 2.44 0.05 1.53 0.00 -0.60 -4.39 120.51 117.23 1j41 n ALA 142 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1j41 n ALA 142 Cb 0.33 -1.42 0.19 0.00 0.00 0.00 0.00 19.45 18.55 1j41 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j41 h HIS 143 N 0.00 0.43 -0.40 0.00 6.17 -0.84 -2.54 115.15 117.97 1j41 h HIS 143 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1j41 h HIS 143 Cb 0.65 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1j41 h HIS 143 CO 0.00 0.70 0.00 1.63 0.71 0.00 0.00 177.93 180.97 1j41 n LYS 144 N -4.04 2.01 -2.12 5.26 4.76 -1.26 -4.92 118.16 117.85 1j41 n LYS 144 Ca -0.01 -1.56 -0.36 0.00 -2.87 0.00 0.00 58.31 53.50 1j41 n LYS 144 Cb 0.48 -1.36 0.02 0.00 -1.84 0.00 0.00 35.03 32.32 1j41 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j41 s TYR 145 N -1.47 2.57 0.00 2.13 1.51 -0.96 -4.73 117.35 116.40 1j41 s TYR 145 Ca 0.31 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.88 1j41 s TYR 145 Cb 0.16 -3.44 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 1j41 s TYR 145 CO 0.22 -1.94 0.00 -2.39 -1.11 0.00 0.00 175.55 170.33