#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d17 h HIS 2 N 0.00 0.65 -3.66 3.52 -0.00 -2.02 -3.44 115.15 110.20 3d17 h HIS 2 Ca 0.00 -0.21 -0.67 0.00 -0.00 0.00 0.00 60.37 59.49 3d17 h HIS 2 Cb 0.00 -0.13 -0.18 0.00 -0.00 0.00 0.00 27.41 27.10 3d17 h HIS 2 CO 0.00 0.90 -0.79 -0.51 -0.00 0.00 0.00 177.93 177.53 3d17 s LEU 3 N -8.97 2.72 1.28 0.26 1.43 -1.26 -5.09 118.68 109.05 3d17 s LEU 3 Ca -0.13 -0.56 -0.21 0.00 -1.03 0.00 0.00 54.13 52.20 3d17 s LEU 3 Cb 0.07 -1.55 0.32 0.00 0.03 0.00 0.00 46.19 45.05 3d17 s LEU 3 CO 0.80 0.17 1.07 0.42 0.23 0.00 0.00 176.35 179.03 3d17 s THR 4 N -1.19 1.46 0.17 5.49 -4.23 -1.26 -4.72 115.64 111.36 3d17 s THR 4 Ca 0.19 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.58 3d17 s THR 4 Cb -0.10 -2.38 0.08 0.00 1.34 0.00 0.00 72.50 71.43 3d17 s THR 4 CO 0.11 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.27 3d17 h PRO 5 N -2.86 0.90 0.00 3.99 0.11 -2.00 -2.35 132.00 129.78 3d17 h PRO 5 Ca -0.43 -0.16 -0.12 0.00 0.11 0.00 0.00 66.00 65.40 3d17 h PRO 5 Cb 1.30 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3d17 h PRO 5 CO 0.30 0.76 -0.61 1.05 -0.21 0.00 0.00 178.00 179.30 3d17 h GLU 6 N 0.84 0.00 -0.24 1.05 9.09 -2.01 -3.16 114.58 120.15 3d17 h GLU 6 Ca 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.57 3d17 h GLU 6 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 3d17 h GLU 6 CO -0.02 0.51 0.01 0.93 0.05 0.00 0.00 179.01 180.49 3d17 h GLU 7 N 0.00 0.43 -0.37 1.06 5.08 -1.88 -2.82 114.58 116.08 3d17 h GLU 7 Ca -0.02 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3d17 h GLU 7 Cb 1.42 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.57 3d17 h GLU 7 CO 0.07 0.59 0.03 0.87 -1.00 0.00 0.00 179.01 179.57 3d17 h LYS 8 N 0.20 0.13 0.04 2.33 1.79 -1.47 -2.05 116.57 117.54 3d17 h LYS 8 Ca 0.07 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 3d17 h LYS 8 Cb 0.40 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 3d17 h LYS 8 CO 0.01 0.09 -0.33 0.77 -1.08 0.00 0.00 179.45 178.91 3d17 h SER 9 N 0.13 -0.98 -0.06 0.86 0.02 -1.49 0.54 113.55 112.57 3d17 h SER 9 Ca 0.18 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 3d17 h SER 9 Cb 0.24 0.39 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 3d17 h SER 9 CO -0.28 -0.40 -0.35 0.00 -1.14 0.00 0.00 176.83 174.67 3d17 h ALA 10 N 0.18 -0.47 -2.20 3.77 0.00 -1.27 -0.70 119.26 118.56 3d17 h ALA 10 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d17 h ALA 10 Cb 0.57 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3d17 h ALA 10 CO -0.25 -0.85 0.00 0.28 0.00 0.00 0.00 179.25 178.43 3d17 n VAL 11 N -5.42 0.00 0.03 0.00 0.31 -0.79 -0.69 118.33 111.77 3d17 n VAL 11 Ca -0.04 1.13 0.02 0.00 -0.01 0.00 0.00 64.34 65.44 3d17 n VAL 11 Cb 0.34 -1.90 0.09 0.00 -0.91 0.00 0.00 33.84 31.45 3d17 n VAL 11 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3d17 n THR 12 N -1.19 1.37 -0.03 2.52 -2.24 0.13 -0.76 114.28 114.08 3d17 n THR 12 Ca 0.00 0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 62.11 3d17 n THR 12 Cb 0.00 -1.55 -0.13 0.00 -2.10 0.00 0.00 70.33 66.55 3d17 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d17 n ALA 13 N -1.43 0.98 -0.18 6.98 0.00 -0.27 -3.49 120.51 123.09 3d17 n ALA 13 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 3d17 n ALA 13 Cb 0.14 -0.55 0.01 0.00 0.00 0.00 0.00 19.45 19.05 3d17 n ALA 13 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3d17 h LEU 14 N -0.08 0.91 -2.28 0.00 -0.00 0.13 -1.89 115.31 112.09 3d17 h LEU 14 Ca -0.45 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.88 57.12 3d17 h LEU 14 Cb 1.92 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 42.34 3d17 h LEU 14 CO 0.01 1.00 -0.01 -0.25 -0.00 0.00 0.00 178.44 179.19 3d17 h TRP 15 N 0.80 0.00 0.18 1.13 2.91 -1.18 -2.63 115.95 117.16 3d17 h TRP 15 Ca 0.15 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 3d17 h TRP 15 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.18 3d17 h TRP 15 CO 0.04 0.01 -0.08 0.78 -1.03 0.00 0.00 178.44 178.16 3d17 h GLY 16 N 0.88 -0.25 -4.33 2.65 0.00 -1.37 -3.21 103.07 97.45 3d17 h GLY 16 Ca -0.00 0.09 -0.44 0.00 0.00 0.00 0.00 47.33 46.98 3d17 h GLY 16 CO 0.00 -0.09 0.32 0.28 0.00 0.00 0.00 176.54 177.05 3d17 n LYS 17 N -5.13 2.28 -4.60 4.80 5.02 -0.99 -4.90 118.16 114.64 3d17 n LYS 17 Ca -0.09 -2.11 -0.34 0.00 -2.02 0.00 0.00 58.31 53.76 3d17 n LYS 17 Cb 0.17 -2.05 -0.12 0.00 -0.02 0.00 0.00 35.03 33.01 3d17 n LYS 17 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3d17 s VAL 18 N -1.95 3.67 -1.22 -0.18 -7.23 -1.21 -4.99 120.40 107.28 3d17 s VAL 18 Ca 0.56 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 60.05 3d17 s VAL 18 Cb 0.36 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 3d17 s VAL 18 CO -0.17 0.57 1.89 -3.20 -0.31 0.00 0.00 175.10 173.87 3d17 n ASN 19 N 2.67 3.86 0.00 4.85 4.05 -1.26 -4.76 115.26 124.67 3d17 n ASN 19 Ca -0.18 -2.80 0.00 0.00 0.45 0.00 0.00 54.58 52.05 3d17 n ASN 19 Cb 0.53 -1.67 0.00 0.00 1.23 0.00 0.00 39.78 39.87 3d17 n ASN 19 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 3d17 n VAL 20 N 6.75 0.00 -0.00 3.44 0.24 -1.26 0.29 118.33 127.78 3d17 n VAL 20 Ca 0.48 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.78 3d17 n VAL 20 Cb 0.45 -0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 31.90 3d17 n VAL 20 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3d17 n ASP 21 N -0.43 4.49 0.00 -1.34 10.43 -1.26 -4.72 116.55 123.72 3d17 n ASP 21 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3d17 n ASP 21 Cb 0.00 0.97 0.00 0.00 1.84 0.00 0.00 41.12 43.93 3d17 n ASP 21 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3d17 n GLU 22 N -1.70 0.00 -0.12 -1.24 4.71 0.83 -4.20 120.64 118.92 3d17 n GLU 22 Ca -0.01 0.03 -0.03 0.00 -0.01 0.00 0.00 57.16 57.14 3d17 n GLU 22 Cb 0.18 -0.44 -0.03 0.00 -1.01 0.00 0.00 31.44 30.14 3d17 n GLU 22 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3d17 n VAL 23 N -0.80 -0.20 -0.10 2.62 0.31 -1.17 -1.25 118.33 117.73 3d17 n VAL 23 Ca 0.00 1.03 -0.03 0.00 -0.01 0.00 0.00 64.34 65.33 3d17 n VAL 23 Cb 0.00 -1.30 -0.02 0.00 -0.91 0.00 0.00 33.84 31.60 3d17 n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d17 n GLY 24 N -1.07 -1.72 0.09 2.92 0.00 -1.26 -0.05 105.19 104.11 3d17 n GLY 24 Ca 0.01 0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.64 3d17 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d17 n GLY 25 N -1.06 -1.37 0.10 -0.02 0.00 -0.38 -2.51 105.19 99.94 3d17 n GLY 25 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3d17 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3d17 h GLU 26 N 0.00 0.18 0.04 1.61 4.81 0.12 -1.73 114.58 119.60 3d17 h GLU 26 Ca 0.00 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3d17 h GLU 26 Cb 0.46 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3d17 h GLU 26 CO 0.00 1.04 -0.02 0.00 -0.73 0.00 0.00 179.01 179.31 3d17 h ALA 27 N 0.66 -0.05 -0.02 2.92 0.00 -1.07 -0.76 119.26 120.93 3d17 h ALA 27 Ca -0.18 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3d17 h ALA 27 Cb 1.96 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 3d17 h ALA 27 CO 0.15 -0.31 -0.29 1.25 0.00 0.00 0.00 179.25 180.06 3d17 h LEU 28 N -0.48 0.04 0.42 0.00 5.85 -1.60 -0.01 115.31 119.53 3d17 h LEU 28 Ca -0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3d17 h LEU 28 Cb 0.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3d17 h LEU 28 CO 0.01 0.32 -0.20 1.23 -0.34 0.00 0.00 178.44 179.46 3d17 h GLY 29 N 0.89 -0.59 1.30 3.75 0.00 -1.22 -2.66 103.07 104.55 3d17 h GLY 29 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 47.33 47.64 3d17 h GLY 29 CO 0.04 -0.21 0.28 3.21 0.00 0.00 0.00 176.54 179.85 3d17 h ARG 30 N -0.97 0.15 -0.55 4.80 3.08 -0.98 0.39 114.38 120.30 3d17 h ARG 30 Ca -0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3d17 h ARG 30 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3d17 h ARG 30 CO 0.09 0.10 0.20 1.25 -1.07 0.00 0.00 179.97 180.54 3d17 h LEU 31 N 0.15 0.78 -0.60 3.04 7.12 -0.94 0.29 115.31 125.14 3d17 h LEU 31 Ca 0.18 -0.19 -0.15 0.00 0.13 0.00 0.00 57.88 57.86 3d17 h LEU 31 Cb 0.53 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 3d17 h LEU 31 CO -0.03 0.75 -0.66 -0.07 -0.13 0.00 0.00 178.44 178.30 3d17 h LEU 32 N 0.75 0.19 0.21 2.25 3.38 -0.66 -2.19 115.31 119.25 3d17 h LEU 32 Ca 0.18 -0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.70 3d17 h LEU 32 Cb 0.23 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.95 3d17 h LEU 32 CO -0.01 0.80 -1.52 0.58 0.09 0.00 0.00 178.44 178.38 3d17 h VAL 33 N 0.11 1.22 0.20 1.22 2.07 -0.65 -3.24 116.25 117.19 3d17 h VAL 33 Ca -0.01 -2.71 -0.33 0.00 0.82 0.00 0.00 66.70 64.46 3d17 h VAL 33 Cb 1.19 2.95 0.02 0.00 -1.52 0.00 0.00 31.29 33.92 3d17 h VAL 33 CO 0.10 0.83 -1.57 0.58 0.02 0.00 0.00 177.57 177.53 3d17 h VAL 34 N 0.12 1.16 -2.42 2.57 2.07 -0.52 -3.38 116.25 115.85 3d17 h VAL 34 Ca -0.26 -2.68 -0.63 0.00 0.82 0.00 0.00 66.70 63.95 3d17 h VAL 34 Cb 2.12 2.90 -0.40 0.00 -1.52 0.00 0.00 31.29 34.39 3d17 h VAL 34 CO 0.24 0.84 -0.43 -1.22 0.02 0.00 0.00 177.57 177.02 3d17 n TYR 35 N -3.62 3.50 -0.31 1.57 4.01 -0.82 -4.97 117.16 116.51 3d17 n TYR 35 Ca -0.19 -4.01 0.21 0.00 -0.16 0.00 0.00 57.90 53.74 3d17 n TYR 35 Cb 1.08 -0.66 0.39 0.00 -0.31 0.00 0.00 39.34 39.84 3d17 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3d17 n PRO 36 N 1.08 -0.07 0.33 -0.72 -0.04 -1.22 -0.82 135.00 133.54 3d17 n PRO 36 Ca 0.28 1.33 0.16 0.00 -0.04 0.00 0.00 63.50 65.23 3d17 n PRO 36 Cb 0.39 -2.23 0.85 0.00 -0.04 0.00 0.00 33.50 32.47 3d17 n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3d17 h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 0.37 115.95 115.02 3d17 h TRP 37 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.64 3d17 h TRP 37 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.79 3d17 h TRP 37 CO -0.27 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.05 3d17 h THR 38 N 0.00 0.00 -0.21 0.12 1.35 -1.29 -2.78 112.91 110.11 3d17 h THR 38 Ca 0.00 -0.40 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 3d17 h THR 38 Cb 0.59 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3d17 h THR 38 CO 0.00 0.00 -0.00 1.56 -0.25 0.00 0.00 175.52 176.83 3d17 h GLN 39 N 0.00 0.30 -1.24 4.72 4.20 -0.46 -2.82 115.11 119.81 3d17 h GLN 39 Ca 0.00 -0.05 0.38 0.00 0.06 0.00 0.00 58.65 59.04 3d17 h GLN 39 Cb 0.43 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 28.05 3d17 h GLN 39 CO 0.00 0.33 0.81 -0.09 -0.67 0.00 0.00 178.83 179.22 3d17 h ARG 40 N 0.30 0.17 0.00 1.46 2.43 -1.67 0.41 114.38 117.49 3d17 h ARG 40 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3d17 h ARG 40 Cb 0.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3d17 h ARG 40 CO 0.00 0.11 -0.18 0.74 -1.51 0.00 0.00 179.97 179.14 3d17 h PHE 41 N 0.18 0.00 -1.80 2.20 -1.00 -1.73 -3.36 116.94 111.43 3d17 h PHE 41 Ca 0.73 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.93 3d17 h PHE 41 Cb 2.24 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 41.39 3d17 h PHE 41 CO -0.00 0.00 -0.71 1.19 -1.61 0.00 0.00 178.31 177.17 3d17 n PHE 42 N -3.01 3.56 0.17 -0.55 3.01 0.14 -4.76 117.46 116.03 3d17 n PHE 42 Ca 0.03 -3.45 0.09 0.00 1.01 0.00 0.00 57.45 55.14 3d17 n PHE 42 Cb 0.53 -0.24 0.10 0.00 -0.01 0.00 0.00 39.48 39.85 3d17 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3d17 h GLU 43 N 2.74 0.00 0.00 -1.08 4.39 -1.69 -3.13 114.58 115.81 3d17 h GLU 43 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3d17 h GLU 43 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3d17 h GLU 43 CO 0.83 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.66 3d17 n SER 44 N -3.03 0.00 0.09 1.42 3.41 -1.26 -2.26 113.62 111.99 3d17 n SER 44 Ca 0.02 -0.61 0.04 0.00 -0.26 0.00 0.00 58.87 58.06 3d17 n SER 44 Cb 0.59 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 3d17 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3d17 h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.94 -3.51 116.94 118.87 3d17 h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3d17 h PHE 45 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.96 3d17 h PHE 45 CO 0.00 0.39 0.00 0.41 -0.18 0.00 0.00 178.31 178.93 3d17 n GLY 46 N 1.28 0.62 3.67 -1.45 0.00 -0.96 -4.86 105.19 103.49 3d17 n GLY 46 Ca -0.03 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 3d17 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d17 s ASP 47 N -4.00 6.99 -0.14 1.61 3.68 -1.26 -4.87 116.67 118.67 3d17 s ASP 47 Ca 0.00 1.74 0.16 0.00 2.13 0.00 0.00 52.55 56.59 3d17 s ASP 47 Cb 0.00 -2.55 0.30 0.00 -1.45 0.00 0.00 42.92 39.23 3d17 s ASP 47 CO 0.00 -0.69 1.16 0.18 0.13 0.00 0.00 175.17 175.95 3d17 n LEU 48 N 6.03 2.26 0.23 -1.34 4.77 -1.26 -4.55 117.00 123.15 3d17 n LEU 48 Ca 0.13 -3.12 0.11 0.00 -0.03 0.00 0.00 56.01 53.10 3d17 n LEU 48 Cb 0.45 -0.42 0.54 0.00 -2.33 0.00 0.00 43.42 41.67 3d17 n LEU 48 CO 0.56 0.83 0.85 0.77 -1.33 0.00 0.00 177.39 179.07 3d17 h SER 49 N 0.23 0.00 -4.01 -1.43 4.64 -1.95 -3.44 113.55 107.60 3d17 h SER 49 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 3d17 h SER 49 Cb 1.04 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.85 3d17 h SER 49 CO 0.00 0.19 -0.83 0.42 -0.87 0.00 0.00 176.83 175.74 3d17 s THR 50 N -3.79 2.51 0.22 2.95 -4.23 -1.26 -5.02 115.64 107.04 3d17 s THR 50 Ca -0.00 -0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 59.47 3d17 s THR 50 Cb 0.11 -1.96 0.28 0.00 1.34 0.00 0.00 72.50 72.27 3d17 s THR 50 CO 0.62 0.57 1.61 -0.65 -0.54 0.00 0.00 174.62 176.23 3d17 h PRO 51 N 5.84 -0.01 -0.62 3.99 0.11 -1.97 0.45 132.00 139.79 3d17 h PRO 51 Ca -0.37 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.84 3d17 h PRO 51 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 3d17 h PRO 51 CO 0.49 -0.01 0.21 -0.44 -0.21 0.00 0.00 178.00 178.04 3d17 h ASP 52 N -0.02 0.17 0.61 -2.05 3.32 -1.97 0.18 116.42 116.66 3d17 h ASP 52 Ca 0.34 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.45 3d17 h ASP 52 Cb 0.53 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3d17 h ASP 52 CO -0.75 0.10 -0.14 0.00 -1.72 0.00 0.00 179.24 176.73 3d17 h ALA 53 N 1.45 1.14 0.00 3.45 0.00 -1.30 -1.95 119.26 122.06 3d17 h ALA 53 Ca 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3d17 h ALA 53 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3d17 h ALA 53 CO -0.34 0.18 -0.21 0.28 0.00 0.00 0.00 179.25 179.16 3d17 h VAL 54 N 0.00 0.86 -0.43 0.00 2.07 0.54 -3.07 116.25 116.21 3d17 h VAL 54 Ca -0.00 -1.70 0.04 0.00 0.82 0.00 0.00 66.70 65.85 3d17 h VAL 54 Cb 0.49 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3d17 h VAL 54 CO 0.02 0.29 0.21 0.24 0.02 0.00 0.00 177.57 178.35 3d17 h MET 55 N -1.00 0.41 0.00 1.57 2.07 -0.79 -2.58 114.93 114.60 3d17 h MET 55 Ca -0.04 -0.02 -0.03 0.00 -2.07 0.00 0.00 59.70 57.53 3d17 h MET 55 Cb 0.62 -0.09 -0.00 0.00 -1.87 0.00 0.00 31.60 30.26 3d17 h MET 55 CO -0.03 0.27 -0.16 0.78 1.07 0.00 0.00 176.91 178.84 3d17 h GLY 56 N 0.42 0.00 -6.38 8.32 0.00 -1.54 -3.45 103.07 100.44 3d17 h GLY 56 Ca 0.19 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.75 3d17 h GLY 56 CO -0.14 0.00 0.80 -2.01 0.00 0.00 0.00 176.54 175.19 3d17 n ASN 57 N -3.24 2.03 0.09 0.19 2.85 -0.97 -4.85 115.26 111.35 3d17 n ASN 57 Ca 0.01 1.10 0.08 0.00 -0.11 0.00 0.00 54.58 55.67 3d17 n ASN 57 Cb 0.45 -1.09 0.55 0.00 1.24 0.00 0.00 39.78 40.94 3d17 n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3d17 h PRO 58 N 6.45 0.24 -0.15 1.20 0.13 -1.89 -2.69 132.00 135.29 3d17 h PRO 58 Ca -0.46 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 3d17 h PRO 58 Cb 1.33 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3d17 h PRO 58 CO 0.94 0.16 -0.24 0.87 -0.23 0.00 0.00 178.00 179.50 3d17 h LYS 59 N 0.25 0.43 -0.41 0.86 1.79 -1.89 -2.10 116.57 115.51 3d17 h LYS 59 Ca 0.12 -0.26 0.12 0.00 -2.18 0.00 0.00 60.65 58.44 3d17 h LYS 59 Cb 0.16 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 3d17 h LYS 59 CO -0.02 0.85 0.31 0.28 -1.08 0.00 0.00 179.45 179.79 3d17 h VAL 60 N 0.06 0.70 0.00 0.50 2.07 -1.79 -0.37 116.25 117.42 3d17 h VAL 60 Ca 0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.28 3d17 h VAL 60 Cb 0.82 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3d17 h VAL 60 CO 0.06 0.00 -1.45 0.11 0.02 0.00 0.00 177.57 176.30 3d17 h LYS 61 N 0.00 0.00 -0.11 1.57 1.57 -1.38 -2.06 116.57 116.15 3d17 h LYS 61 Ca 0.19 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 3d17 h LYS 61 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3d17 h LYS 61 CO -0.00 0.61 -0.40 0.00 -0.57 0.00 0.00 179.45 179.09 3d17 h ALA 62 N 1.05 0.20 0.00 3.86 0.00 -0.49 -2.88 119.26 121.00 3d17 h ALA 62 Ca -0.19 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3d17 h ALA 62 Cb 1.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3d17 h ALA 62 CO 0.09 0.30 -0.39 0.72 0.00 0.00 0.00 179.25 179.97 3d17 n HIS 63 N -4.32 0.72 0.06 0.00 8.25 -0.28 -3.24 115.22 116.41 3d17 n HIS 63 Ca -0.08 0.21 -0.06 0.00 -0.26 0.00 0.00 57.72 57.54 3d17 n HIS 63 Cb 0.54 -0.77 0.13 0.00 1.12 0.00 0.00 29.99 31.00 3d17 n HIS 63 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3d17 h GLY 64 N 4.50 0.38 2.00 -1.41 0.00 -1.30 -1.79 103.07 105.45 3d17 h GLY 64 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 3d17 h GLY 64 CO 0.00 0.38 -0.66 0.50 0.00 0.00 0.00 176.54 176.76 3d17 h LYS 65 N 0.27 0.00 -0.54 4.80 1.57 -1.54 -2.39 116.57 118.74 3d17 h LYS 65 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3d17 h LYS 65 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3d17 h LYS 65 CO 0.09 0.66 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.28 3d17 h LYS 66 N 0.00 1.04 0.02 3.15 1.63 -1.45 -1.19 116.57 119.77 3d17 h LYS 66 Ca -0.01 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3d17 h LYS 66 Cb 1.51 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 3d17 h LYS 66 CO 0.09 1.09 -0.01 0.28 -3.45 0.00 0.00 179.45 177.44 3d17 h VAL 67 N 0.91 1.37 0.00 2.00 2.07 -1.34 -2.57 116.25 118.69 3d17 h VAL 67 Ca 0.14 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3d17 h VAL 67 Cb 0.71 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3d17 h VAL 67 CO 0.05 0.31 0.10 0.25 0.02 0.00 0.00 177.57 178.30 3d17 h LEU 68 N -0.57 0.00 -0.07 2.57 5.85 -1.39 0.48 115.31 122.18 3d17 h LEU 68 Ca -0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 3d17 h LEU 68 Cb 0.54 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3d17 h LEU 68 CO 0.00 0.00 -0.98 1.23 -0.34 0.00 0.00 178.44 178.35 3d17 h GLY 69 N 0.00 0.04 1.75 3.75 0.00 -0.81 -2.77 103.07 105.02 3d17 h GLY 69 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 3d17 h GLY 69 CO 0.00 0.08 -0.89 0.00 0.00 0.00 0.00 176.54 175.73 3d17 h ALA 70 N 0.99 0.49 -0.23 3.60 0.00 0.16 -1.74 119.26 122.53 3d17 h ALA 70 Ca -0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 3d17 h ALA 70 Cb 1.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3d17 h ALA 70 CO 0.13 0.91 -0.37 0.74 0.00 0.00 0.00 179.25 180.66 3d17 h PHE 71 N 0.12 0.60 -0.30 0.00 -1.00 -1.40 -1.20 116.94 113.77 3d17 h PHE 71 Ca -0.05 -0.16 -0.17 0.00 2.81 0.00 0.00 57.97 60.40 3d17 h PHE 71 Cb 1.53 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.95 3d17 h PHE 71 CO 0.03 0.82 -0.48 0.77 -1.61 0.00 0.00 178.31 177.84 3d17 h SER 72 N 0.43 0.88 0.41 2.17 0.02 -1.46 -1.42 113.55 114.59 3d17 h SER 72 Ca 0.04 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3d17 h SER 72 Cb 0.85 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3d17 h SER 72 CO 0.07 1.21 0.00 -0.78 -1.14 0.00 0.00 176.83 176.19 3d17 h ASP 73 N 0.64 0.00 0.18 3.07 -0.00 -0.88 0.73 116.42 120.16 3d17 h ASP 73 Ca 0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.03 56.71 3d17 h ASP 73 Cb 1.06 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.37 3d17 h ASP 73 CO 0.11 0.00 -1.94 1.23 -0.00 0.00 0.00 179.24 178.64 3d17 h GLY 74 N 1.00 0.28 2.00 -0.78 0.00 -0.65 -3.15 103.07 101.77 3d17 h GLY 74 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 3d17 h GLY 74 CO 0.00 0.63 -0.21 1.41 0.00 0.00 0.00 176.54 178.38 3d17 h LEU 75 N 0.07 0.00 -0.12 3.11 3.38 -0.36 0.36 115.31 121.74 3d17 h LEU 75 Ca -0.40 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 3d17 h LEU 75 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 3d17 h LEU 75 CO 0.10 0.21 -0.47 0.00 0.09 0.00 0.00 178.44 178.36 3d17 h ALA 76 N 1.79 0.21 -1.66 1.53 0.00 -1.00 -3.34 119.26 116.80 3d17 h ALA 76 Ca -0.00 -0.49 -0.65 0.00 0.00 0.00 0.00 54.91 53.76 3d17 h ALA 76 Cb 0.53 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 17.93 3d17 h ALA 76 CO 0.03 0.37 -0.14 0.72 0.00 0.00 0.00 179.25 180.23 3d17 n HIS 77 N -4.25 3.47 0.00 0.00 8.25 -0.85 -4.87 115.22 116.97 3d17 n HIS 77 Ca -0.08 -3.21 0.00 0.00 -0.26 0.00 0.00 57.72 54.18 3d17 n HIS 77 Cb 0.58 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3d17 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3d17 n LEU 78 N -0.35 0.00 -0.11 2.41 7.99 0.06 -2.52 117.00 124.47 3d17 n LEU 78 Ca 0.40 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 56.21 3d17 n LEU 78 Cb 0.44 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.65 3d17 n LEU 78 CO 0.39 0.00 -1.26 0.47 -1.51 0.00 0.00 177.39 175.48 3d17 n ASP 79 N -0.33 2.04 -2.82 -1.43 8.00 -1.26 -4.71 116.55 116.05 3d17 n ASP 79 Ca 0.00 0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 3d17 n ASP 79 Cb 0.00 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 3d17 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3d17 n ASN 80 N -3.51 4.77 -0.24 -2.24 5.15 -1.05 -4.79 115.26 113.37 3d17 n ASN 80 Ca -0.42 -3.70 0.19 0.00 -0.60 0.00 0.00 54.58 50.04 3d17 n ASN 80 Cb 0.89 -0.57 0.52 0.00 -0.53 0.00 0.00 39.78 40.09 3d17 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3d17 h LEU 81 N 2.90 0.39 -0.63 1.20 3.38 -1.84 0.14 115.31 120.85 3d17 h LEU 81 Ca 0.22 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3d17 h LEU 81 Cb 0.62 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3d17 h LEU 81 CO 0.86 0.16 0.39 0.50 0.09 0.00 0.00 178.44 180.44 3d17 h LYS 82 N 0.39 0.85 0.00 1.13 1.63 -1.86 -2.77 116.57 115.94 3d17 h LYS 82 Ca 0.46 -0.07 -0.19 0.00 -0.85 0.00 0.00 60.65 59.99 3d17 h LYS 82 Cb 1.16 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.58 3d17 h LYS 82 CO -0.17 0.60 -1.59 0.41 -3.45 0.00 0.00 179.45 175.26 3d17 n GLY 83 N -1.17 -1.14 0.29 5.01 0.00 -0.78 -3.33 105.19 104.07 3d17 n GLY 83 Ca 0.05 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.09 3d17 n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3d17 h THR 84 N 0.00 0.09 0.00 2.61 2.02 -0.72 -2.62 112.91 114.29 3d17 h THR 84 Ca -0.21 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3d17 h THR 84 Cb 1.67 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.40 3d17 h THR 84 CO 0.05 0.02 -0.30 0.49 0.37 0.00 0.00 175.52 176.15 3d17 n PHE 85 N -3.16 0.00 0.04 3.16 3.01 -1.05 -4.86 117.46 114.60 3d17 n PHE 85 Ca -0.01 -0.93 -0.02 0.00 1.01 0.00 0.00 57.45 57.49 3d17 n PHE 85 Cb 0.23 -0.16 -0.01 0.00 -0.01 0.00 0.00 39.48 39.53 3d17 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d17 h ALA 86 N 0.35 -0.83 -0.84 4.37 0.00 -1.46 0.17 119.26 121.01 3d17 h ALA 86 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3d17 h ALA 86 Cb 1.14 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3d17 h ALA 86 CO 0.01 -0.83 0.47 1.79 0.00 0.00 0.00 179.25 180.68 3d17 h THR 87 N -0.14 1.24 -0.03 0.00 1.35 -1.90 -0.41 112.91 113.03 3d17 h THR 87 Ca -0.01 -0.60 0.01 0.00 -0.55 0.00 0.00 66.41 65.26 3d17 h THR 87 Cb 0.12 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 66.63 3d17 h THR 87 CO -0.00 0.27 0.04 0.25 -0.25 0.00 0.00 175.52 175.83 3d17 h LEU 88 N 1.18 0.00 0.01 3.87 6.46 -1.87 -0.24 115.31 124.72 3d17 h LEU 88 Ca 0.30 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.81 3d17 h LEU 88 Cb 0.02 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 3d17 h LEU 88 CO -0.05 0.00 -1.33 -1.28 -0.62 0.00 0.00 178.44 175.16 3d17 h SER 89 N 0.00 0.04 -0.05 1.25 0.87 0.10 -3.03 113.55 112.73 3d17 h SER 89 Ca 0.02 -0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.28 3d17 h SER 89 Cb 0.11 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3d17 h SER 89 CO -0.00 1.04 -0.91 -0.33 -0.53 0.00 0.00 176.83 176.10 3d17 h GLU 90 N 0.01 0.71 -0.04 2.24 5.08 -0.59 -1.40 114.58 120.58 3d17 h GLU 90 Ca -0.14 -0.70 0.03 0.00 -1.00 0.00 0.00 59.36 57.56 3d17 h GLU 90 Cb 1.89 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 31.28 3d17 h GLU 90 CO 0.11 1.29 -0.21 1.25 -1.00 0.00 0.00 179.01 180.45 3d17 h LEU 91 N 0.40 -0.61 -1.26 1.33 7.12 -1.19 1.07 115.31 122.17 3d17 h LEU 91 Ca -0.10 0.09 -0.05 0.00 0.13 0.00 0.00 57.88 57.95 3d17 h LEU 91 Cb 1.56 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.94 3d17 h LEU 91 CO 0.18 -0.27 -0.07 0.45 -0.13 0.00 0.00 178.44 178.60 3d17 h HIS 92 N -0.31 0.43 0.00 1.25 3.86 -1.55 0.61 115.15 119.44 3d17 h HIS 92 Ca 0.07 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3d17 h HIS 92 Cb 0.41 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3d17 h HIS 92 CO -0.27 0.49 -0.09 0.00 0.86 0.00 0.00 177.93 178.92 3d17 h ASP 94 N -0.43 0.00 0.00 0.00 3.45 0.10 -3.21 116.42 116.34 3d17 h ASP 94 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3d17 h ASP 94 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3d17 h ASP 94 CO 0.00 0.00 -0.94 0.29 -1.57 0.00 0.00 179.24 177.02 3d17 n LYS 95 N -2.91 0.00 0.15 3.56 4.76 -0.57 -4.83 118.16 118.32 3d17 n LYS 95 Ca 0.01 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.50 3d17 n LYS 95 Cb 0.30 -0.49 0.05 0.00 -1.84 0.00 0.00 35.03 33.04 3d17 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3d17 h LEU 96 N 0.00 0.00 0.53 -0.35 3.38 -1.00 -3.49 115.31 114.38 3d17 h LEU 96 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3d17 h LEU 96 Cb 0.94 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.75 3d17 h LEU 96 CO 0.00 0.38 -0.51 1.41 0.09 0.00 0.00 178.44 179.80 3d17 n HIS 97 N -3.15 -1.74 -3.00 1.13 8.25 -0.20 -4.99 115.22 111.51 3d17 n HIS 97 Ca 0.01 0.49 -0.40 0.00 -0.26 0.00 0.00 57.72 57.57 3d17 n HIS 97 Cb 0.69 -3.99 -0.05 0.00 1.12 0.00 0.00 29.99 27.76 3d17 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d17 s VAL 98 N -3.10 4.93 0.13 1.59 1.01 -0.59 -5.02 120.40 119.35 3d17 s VAL 98 Ca 0.28 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.52 3d17 s VAL 98 Cb -0.13 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 3d17 s VAL 98 CO 0.35 0.28 1.28 -0.62 0.00 0.00 0.00 175.10 176.39 3d17 s ASP 99 N 0.52 6.97 0.49 3.32 2.15 -1.26 -4.72 116.67 124.15 3d17 s ASP 99 Ca 0.39 2.22 0.26 0.00 0.43 0.00 0.00 52.55 55.86 3d17 s ASP 99 Cb -0.19 -2.59 1.34 0.00 -0.30 0.00 0.00 42.92 41.18 3d17 s ASP 99 CO 0.21 -0.52 1.88 -0.65 -0.17 0.00 0.00 175.17 175.92 3d17 h PRO 100 N 6.23 0.14 -0.95 4.34 0.11 -1.97 -1.75 132.00 138.15 3d17 h PRO 100 Ca -0.43 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.85 3d17 h PRO 100 Cb 1.21 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 3d17 h PRO 100 CO 0.81 0.09 0.54 1.49 -0.21 0.00 0.00 178.00 180.72 3d17 h GLU 101 N 0.14 0.68 -0.23 1.05 4.22 -1.98 0.49 114.58 118.95 3d17 h GLU 101 Ca 0.43 -0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.85 3d17 h GLU 101 Cb 1.48 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3d17 h GLU 101 CO -0.07 0.45 0.16 -0.91 -2.18 0.00 0.00 179.01 176.45 3d17 h ASN 102 N 0.70 0.19 -0.91 1.04 2.35 -1.70 -0.25 115.58 117.00 3d17 h ASN 102 Ca 0.54 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.32 3d17 h ASN 102 Cb 0.83 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.11 3d17 h ASN 102 CO -0.39 0.13 0.60 -0.26 -1.65 0.00 0.00 177.43 175.87 3d17 h PHE 103 N 0.22 1.11 -0.47 1.19 0.04 -1.04 0.41 116.94 118.41 3d17 h PHE 103 Ca 0.09 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.77 3d17 h PHE 103 Cb 0.10 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 3d17 h PHE 103 CO -0.00 0.66 -0.16 0.00 -0.60 0.00 0.00 178.31 178.21 3d17 h ARG 104 N 1.17 0.94 -0.31 1.51 3.08 -1.10 -2.04 114.38 117.62 3d17 h ARG 104 Ca 0.35 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3d17 h ARG 104 Cb -0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3d17 h ARG 104 CO -0.10 1.05 0.16 -0.07 -1.07 0.00 0.00 179.97 179.94 3d17 h LEU 105 N 0.79 0.23 -1.05 3.04 3.38 0.21 -2.46 115.31 119.45 3d17 h LEU 105 Ca 0.11 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3d17 h LEU 105 Cb 0.73 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3d17 h LEU 105 CO 0.06 0.18 -0.14 0.25 0.09 0.00 0.00 178.44 178.88 3d17 h LEU 106 N 0.33 0.50 -0.82 1.67 5.85 -0.24 -2.83 115.31 119.78 3d17 h LEU 106 Ca 0.13 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3d17 h LEU 106 Cb 0.04 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3d17 h LEU 106 CO -0.09 0.67 0.45 1.23 -0.34 0.00 0.00 178.44 180.36 3d17 h GLY 107 N 0.94 1.22 2.00 3.75 0.00 -0.93 -1.33 103.07 108.73 3d17 h GLY 107 Ca 0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 3d17 h GLY 107 CO 0.03 0.53 -0.43 3.43 0.00 0.00 0.00 176.54 180.10 3d17 h ASN 108 N 1.14 0.00 -0.27 0.19 2.35 -1.26 -2.07 115.58 115.66 3d17 h ASN 108 Ca 0.29 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 3d17 h ASN 108 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3d17 h ASN 108 CO -0.05 0.43 -0.19 0.58 -1.65 0.00 0.00 177.43 176.55 3d17 h VAL 109 N 0.00 1.30 -0.23 2.81 2.07 -1.18 0.46 116.25 121.48 3d17 h VAL 109 Ca -0.00 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.24 3d17 h VAL 109 Cb 0.84 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3d17 h VAL 109 CO 0.06 0.42 -0.01 0.25 0.02 0.00 0.00 177.57 178.30 3d17 h LEU 110 N 0.34 -0.12 -1.27 2.57 6.46 -0.97 0.32 115.31 122.64 3d17 h LEU 110 Ca 0.05 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.93 3d17 h LEU 110 Cb 0.73 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.71 3d17 h LEU 110 CO 0.05 -0.03 0.53 0.58 -0.62 0.00 0.00 178.44 178.95 3d17 h VAL 111 N 0.06 1.06 -0.40 1.05 2.07 -1.20 0.01 116.25 118.90 3d17 h VAL 111 Ca 0.11 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3d17 h VAL 111 Cb 0.15 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3d17 h VAL 111 CO -0.20 0.16 0.04 0.00 0.02 0.00 0.00 177.57 177.59 3d17 h VAL 113 N 0.53 1.14 0.77 0.00 2.07 0.70 0.13 116.25 121.58 3d17 h VAL 113 Ca 0.12 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3d17 h VAL 113 Cb 0.42 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3d17 h VAL 113 CO 0.01 0.18 -0.37 -0.07 0.02 0.00 0.00 177.57 177.34 3d17 h LEU 114 N 0.96 -0.87 -1.90 2.57 3.38 -0.80 -0.23 115.31 118.42 3d17 h LEU 114 Ca 0.29 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.53 3d17 h LEU 114 Cb -0.03 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3d17 h LEU 114 CO -0.09 -0.52 0.63 0.00 0.09 0.00 0.00 178.44 178.55 3d17 h ALA 115 N -1.14 2.72 0.48 1.53 0.00 -1.06 0.14 119.26 121.93 3d17 h ALA 115 Ca -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3d17 h ALA 115 Cb 0.80 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3d17 h ALA 115 CO 0.17 -0.98 -0.23 1.25 0.00 0.00 0.00 179.25 179.46 3d17 h HIS 116 N 0.08 -0.59 0.00 0.00 -0.00 -0.31 -3.12 115.15 111.20 3d17 h HIS 116 Ca 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.79 3d17 h HIS 116 Cb 1.61 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 29.21 3d17 h HIS 116 CO -0.00 -0.27 0.00 0.72 -0.00 0.00 0.00 177.93 178.38 3d17 n HIS 117 N -5.27 0.00 0.12 5.26 -0.00 0.33 -3.64 115.22 112.02 3d17 n HIS 117 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 3d17 n HIS 117 Cb 0.31 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 3d17 n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3d17 n PHE 118 N -1.46 0.00 0.00 4.41 3.01 -0.20 -4.88 117.46 118.35 3d17 n PHE 118 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3d17 n PHE 118 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 3d17 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d17 n GLY 119 N 0.35 1.27 0.10 1.37 0.00 -1.18 -0.64 105.19 106.45 3d17 n GLY 119 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 3d17 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d17 h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.90 -3.21 116.57 114.65 3d17 h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d17 h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3d17 h LYS 120 CO 0.00 0.78 0.05 -1.91 -0.57 0.00 0.00 179.45 177.81 3d17 n GLU 121 N -3.34 0.00 -3.20 3.15 2.13 0.19 -2.70 120.64 116.88 3d17 n GLU 121 Ca 0.01 0.42 -0.44 0.00 0.66 0.00 0.00 57.16 57.80 3d17 n GLU 121 Cb 0.84 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.99 3d17 n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3d17 n PHE 122 N -1.41 3.92 -1.67 4.31 7.35 -1.19 -4.96 117.46 123.81 3d17 n PHE 122 Ca 0.00 -3.34 -0.31 0.00 -0.76 0.00 0.00 57.45 53.04 3d17 n PHE 122 Cb 0.05 -1.49 0.04 0.00 0.35 0.00 0.00 39.48 38.44 3d17 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d17 s THR 123 N -1.97 4.12 0.23 -2.13 -4.23 -1.10 -4.77 115.64 105.79 3d17 s THR 123 Ca 0.31 0.72 -0.13 0.00 -1.18 0.00 0.00 61.69 61.41 3d17 s THR 123 Cb -0.03 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.61 3d17 s THR 123 CO 0.00 -0.87 1.60 -0.65 -0.54 0.00 0.00 174.62 174.16 3d17 h PRO 124 N -0.52 -0.03 -0.37 3.99 0.11 -1.95 0.57 132.00 133.80 3d17 h PRO 124 Ca -0.44 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 3d17 h PRO 124 Cb 1.21 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3d17 h PRO 124 CO 0.58 -0.02 0.11 -1.35 -0.21 0.00 0.00 178.00 177.11 3d17 h PRO 125 N -0.03 0.24 -0.88 1.05 0.11 -1.99 0.25 132.00 130.76 3d17 h PRO 125 Ca 0.34 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.46 3d17 h PRO 125 Cb 0.55 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.56 3d17 h PRO 125 CO -0.77 0.16 0.58 0.28 -0.21 0.00 0.00 178.00 178.04 3d17 h VAL 126 N 0.25 1.19 -0.21 3.15 2.07 -1.47 0.41 116.25 121.63 3d17 h VAL 126 Ca 0.17 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3d17 h VAL 126 Cb 0.17 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3d17 h VAL 126 CO -0.20 0.21 0.13 -0.61 0.02 0.00 0.00 177.57 177.12 3d17 h GLN 127 N 1.14 0.29 -0.30 1.57 4.15 0.03 -2.18 115.11 119.80 3d17 h GLN 127 Ca 0.34 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.76 3d17 h GLN 127 Cb -0.06 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3d17 h GLN 127 CO -0.09 0.24 0.21 0.00 -1.93 0.00 0.00 178.83 177.26 3d17 h ALA 128 N 1.03 1.93 -0.24 3.38 0.00 0.44 0.14 119.26 125.94 3d17 h ALA 128 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3d17 h ALA 128 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3d17 h ALA 128 CO -0.01 0.02 -0.38 0.00 0.00 0.00 0.00 179.25 178.88 3d17 h ALA 129 N 1.83 0.88 0.19 0.00 0.00 -0.39 -3.15 119.26 118.62 3d17 h ALA 129 Ca 0.13 -0.43 -0.31 0.00 0.00 0.00 0.00 54.91 54.30 3d17 h ALA 129 Cb 0.16 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.87 3d17 h ALA 129 CO -0.03 0.63 -1.33 1.88 0.00 0.00 0.00 179.25 180.41 3d17 h TYR 130 N 0.46 0.98 -0.26 0.00 0.05 -0.62 -3.23 116.97 114.35 3d17 h TYR 130 Ca 0.04 -0.67 0.08 0.00 0.05 0.00 0.00 58.73 58.23 3d17 h TYR 130 Cb 0.87 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3d17 h TYR 130 CO 0.03 1.51 0.46 1.96 -1.05 0.00 0.00 178.16 181.08 3d17 h GLN 131 N 0.17 0.00 0.10 4.88 1.08 -0.77 0.19 115.11 120.76 3d17 h GLN 131 Ca -0.22 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.84 3d17 h GLN 131 Cb 2.02 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.46 3d17 h GLN 131 CO 0.25 0.00 -0.62 0.87 -0.95 0.00 0.00 178.83 178.38 3d17 h LYS 132 N 0.00 0.20 -0.47 1.46 1.57 -1.57 -2.33 116.57 115.44 3d17 h LYS 132 Ca 0.12 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3d17 h LYS 132 Cb 1.05 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3d17 h LYS 132 CO -0.00 1.17 0.21 0.28 -0.57 0.00 0.00 179.45 180.53 3d17 h VAL 133 N -0.57 1.20 -0.09 0.50 2.07 -0.75 -0.42 116.25 118.19 3d17 h VAL 133 Ca -0.12 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3d17 h VAL 133 Cb 1.46 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3d17 h VAL 133 CO 0.09 0.23 0.04 -0.37 0.02 0.00 0.00 177.57 177.58 3d17 h VAL 134 N 0.62 1.15 -0.96 2.57 -1.51 -1.23 -0.09 116.25 116.81 3d17 h VAL 134 Ca 0.16 -0.45 0.28 0.00 -1.23 0.00 0.00 66.70 65.46 3d17 h VAL 134 Cb 0.16 1.28 -0.15 0.00 -2.13 0.00 0.00 31.29 30.46 3d17 h VAL 134 CO -0.02 0.13 0.44 0.00 -1.23 0.00 0.00 177.57 176.90 3d17 h ALA 135 N 0.87 1.68 0.17 5.19 0.00 -0.89 0.15 119.26 126.43 3d17 h ALA 135 Ca 0.03 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3d17 h ALA 135 Cb 0.18 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3d17 h ALA 135 CO -0.00 -0.51 -0.08 0.78 0.00 0.00 0.00 179.25 179.43 3d17 h GLY 136 N 0.29 -0.24 0.07 0.00 0.00 -0.48 -2.77 103.07 99.93 3d17 h GLY 136 Ca 0.66 0.09 0.14 0.00 0.00 0.00 0.00 47.33 48.22 3d17 h GLY 136 CO -0.62 -0.09 0.20 -2.08 0.00 0.00 0.00 176.54 173.95 3d17 h VAL 137 N -0.97 0.59 -0.66 4.60 2.07 -0.40 0.36 116.25 121.85 3d17 h VAL 137 Ca -0.02 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3d17 h VAL 137 Cb 0.44 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3d17 h VAL 137 CO 0.04 0.06 0.38 0.00 0.02 0.00 0.00 177.57 178.06 3d17 h ALA 138 N 1.55 0.87 0.09 1.67 0.00 -0.82 0.37 119.26 122.99 3d17 h ALA 138 Ca 0.39 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3d17 h ALA 138 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3d17 h ALA 138 CO -0.45 0.08 -0.04 -0.97 0.00 0.00 0.00 179.25 177.87 3d17 h ASN 139 N 0.71 -0.10 -0.97 0.00 -0.00 -0.45 -2.74 115.58 112.03 3d17 h ASN 139 Ca 0.29 -0.23 0.13 0.00 -0.00 0.00 0.00 56.30 56.48 3d17 h ASN 139 Cb 0.13 0.03 -0.09 0.00 -0.00 0.00 0.00 38.32 38.40 3d17 h ASN 139 CO -0.16 0.18 0.60 0.00 -0.00 0.00 0.00 177.43 178.05 3d17 h ALA 140 N 0.49 1.47 0.00 1.57 0.00 -0.01 0.27 119.26 123.05 3d17 h ALA 140 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3d17 h ALA 140 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d17 h ALA 140 CO 0.02 0.16 0.00 -0.11 0.00 0.00 0.00 179.25 179.32 3d17 n LEU 141 N -4.67 0.00 -0.15 0.00 0.00 0.13 -3.15 117.00 109.16 3d17 n LEU 141 Ca 0.19 0.32 0.03 0.00 0.00 0.00 0.00 56.01 56.55 3d17 n LEU 141 Cb 0.37 -0.32 -0.00 0.00 0.00 0.00 0.00 43.42 43.47 3d17 n LEU 141 CO 0.26 -0.09 0.18 0.00 0.00 0.00 0.00 177.39 177.74 3d17 n ALA 142 N -1.32 2.65 -0.30 1.96 0.00 0.88 -4.53 120.51 119.84 3d17 n ALA 142 Ca 0.09 -0.37 0.22 0.00 0.00 0.00 0.00 53.44 53.38 3d17 n ALA 142 Cb 0.19 -0.24 0.51 0.00 0.00 0.00 0.00 19.45 19.91 3d17 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d17 h HIS 143 N 0.72 0.63 0.00 0.00 6.17 -1.30 -2.18 115.15 119.19 3d17 h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 3d17 h HIS 143 Cb 0.23 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 29.97 3d17 h HIS 143 CO 0.00 0.09 0.00 1.63 0.71 0.00 0.00 177.93 180.36 3d17 n LYS 144 N -4.59 0.91 -0.38 5.26 4.76 -1.26 -3.19 118.16 119.68 3d17 n LYS 144 Ca 0.24 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.78 3d17 n LYS 144 Cb 0.82 -1.33 0.30 0.00 -1.84 0.00 0.00 35.03 32.98 3d17 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3d17 n TYR 145 N -0.83 0.97 0.87 2.13 4.01 -0.82 -4.97 117.16 118.53 3d17 n TYR 145 Ca 0.14 -0.46 0.10 0.00 -0.16 0.00 0.00 57.90 57.53 3d17 n TYR 145 Cb 0.07 -0.04 0.09 0.00 -0.31 0.00 0.00 39.34 39.14 3d17 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12