#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9h s SER 2 N 0.00 -0.36 -0.08 1.61 0.01 -1.26 -5.08 113.70 108.53 2d9h s SER 2 Ca 0.00 0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.18 2d9h s SER 2 Cb 0.00 0.47 -0.10 0.00 0.21 0.00 0.00 66.02 66.60 2d9h s SER 2 CO 0.00 -0.72 0.47 -1.28 0.41 0.00 0.00 173.24 172.12 2d9h h SER 3 N 2.80 -0.12 0.00 2.44 0.87 -2.13 -3.44 113.55 113.96 2d9h h SER 3 Ca -0.31 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2d9h h SER 3 Cb 1.22 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2d9h h SER 3 CO 0.43 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.81 2d9h n GLY 4 N 1.22 0.97 2.78 5.77 0.00 -1.26 -5.00 105.19 109.68 2d9h n GLY 4 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2d9h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d9h n SER 5 N -0.67 -4.12 -4.58 1.61 2.88 -1.26 -5.00 113.62 102.48 2d9h n SER 5 Ca 0.00 -0.36 -0.38 0.00 -1.33 0.00 0.00 58.87 56.80 2d9h n SER 5 Cb 0.00 -3.45 -0.11 0.00 -0.75 0.00 0.00 64.21 59.90 2d9h n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d9h s SER 6 N -3.38 5.98 0.24 -3.46 1.04 -1.26 -5.08 113.70 107.78 2d9h s SER 6 Ca 0.28 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.78 2d9h s SER 6 Cb -0.12 -2.11 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 2d9h s SER 6 CO 0.47 -0.05 -0.17 -0.83 0.98 0.00 0.00 173.24 173.64 2d9h s GLY 7 N 1.75 1.63 0.18 7.32 0.00 -1.26 -4.90 107.32 112.03 2d9h s GLY 7 Ca 0.07 -1.75 -0.29 0.00 0.00 0.00 0.00 44.72 42.75 2d9h s GLY 7 CO 0.11 -1.84 0.90 1.08 0.00 0.00 0.00 173.10 173.35 2d9h s LEU 8 N -3.37 4.59 -0.13 0.66 1.43 0.74 -4.87 118.68 117.73 2d9h s LEU 8 Ca 0.25 1.82 -0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2d9h s LEU 8 Cb -0.03 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 2d9h s LEU 8 CO 0.10 0.10 -0.12 -1.58 0.23 0.00 0.00 176.35 175.08 2d9h s GLN 9 N -0.79 3.40 0.49 1.70 2.00 -1.26 -0.12 119.66 125.07 2d9h s GLN 9 Ca 0.41 -0.67 -0.19 0.00 -2.00 0.00 0.00 55.36 52.91 2d9h s GLN 9 Cb -0.24 -2.65 -0.09 0.00 0.80 0.00 0.00 33.01 30.83 2d9h s GLN 9 CO 0.30 0.22 1.00 0.00 -0.50 0.00 0.00 175.29 176.31 2d9h n GLU 11 N -1.14 0.68 0.00 0.00 0.28 -1.26 -3.31 120.64 115.88 2d9h n GLU 11 Ca 0.08 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2d9h n GLU 11 Cb 0.53 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.85 2d9h n GLU 11 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2d9h n ILE 12 N -2.94 0.00 -0.12 3.84 2.08 -1.26 -4.42 119.36 116.54 2d9h n ILE 12 Ca -0.35 1.49 -0.23 0.00 0.56 0.00 0.00 62.75 64.22 2d9h n ILE 12 Cb 1.10 -2.40 -0.11 0.00 -0.75 0.00 0.00 39.64 37.48 2d9h n ILE 12 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2d9h n GLY 14 N 1.77 1.98 3.76 0.00 0.00 -1.21 -5.05 105.19 106.44 2d9h n GLY 14 Ca -0.47 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 2d9h n GLY 14 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2d9h s PHE 15 N -2.00 1.65 -0.05 1.61 5.36 -1.26 -4.59 117.98 118.70 2d9h s PHE 15 Ca 0.00 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 56.60 2d9h s PHE 15 Cb 0.00 -3.59 0.01 0.00 -0.34 0.00 0.00 43.02 39.10 2d9h s PHE 15 CO 0.00 -2.92 -0.10 0.95 -1.46 0.00 0.00 175.22 171.69 2d9h s THR 16 N -3.34 0.89 -0.05 0.12 -4.23 -1.26 -0.20 115.64 107.58 2d9h s THR 16 Ca 0.69 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 2d9h s THR 16 Cb -0.11 -0.83 0.04 0.00 1.34 0.00 0.00 72.50 72.94 2d9h s THR 16 CO 0.54 0.29 0.11 0.00 -0.54 0.00 0.00 174.62 175.02 2d9h h ARG 18 N 7.29 -0.44 -6.64 0.00 2.47 -1.91 0.21 114.38 115.37 2d9h h ARG 18 Ca -0.43 0.03 -0.52 0.00 -1.26 0.00 0.00 59.98 57.79 2d9h h ARG 18 Cb 1.13 0.10 0.01 0.00 -1.65 0.00 0.00 29.97 29.57 2d9h h ARG 18 CO 0.44 -0.29 0.55 -0.65 0.56 0.00 0.00 179.97 180.58 2d9h s GLN 19 N -3.32 4.49 0.13 0.04 -1.52 -1.26 -4.38 119.66 113.84 2d9h s GLN 19 Ca -0.07 1.85 -0.22 0.00 -1.95 0.00 0.00 55.36 54.97 2d9h s GLN 19 Cb 0.01 -3.26 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 2d9h s GLN 19 CO 0.20 -0.10 1.67 -0.22 -0.25 0.00 0.00 175.29 176.59 2d9h h LYS 20 N 5.46 -0.19 -0.91 2.91 1.63 -2.00 -2.82 116.57 120.64 2d9h h LYS 20 Ca -0.44 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.46 2d9h h LYS 20 Cb 1.21 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 32.78 2d9h h LYS 20 CO 0.75 -0.13 -0.53 0.00 -3.45 0.00 0.00 179.45 176.09 2d9h n ALA 21 N -2.56 -0.57 -0.10 5.00 0.00 -1.26 -0.35 120.51 120.66 2d9h n ALA 21 Ca -0.03 0.78 -0.08 0.00 0.00 0.00 0.00 53.44 54.11 2d9h n ALA 21 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 2d9h n ALA 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d9h h SER 22 N 0.00 -0.99 -0.28 0.00 0.02 -1.91 0.26 113.55 110.65 2d9h h SER 22 Ca 0.15 0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 2d9h h SER 22 Cb 0.38 0.47 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 2d9h h SER 22 CO -0.86 -0.31 -0.14 0.25 -1.14 0.00 0.00 176.83 174.64 2d9h h LEU 23 N -0.25 -0.46 -0.17 5.07 5.85 -0.56 0.28 115.31 125.08 2d9h h LEU 23 Ca 0.17 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.04 2d9h h LEU 23 Cb 0.52 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2d9h h LEU 23 CO -0.50 -0.17 -0.13 -1.13 -0.34 0.00 0.00 178.44 176.17 2d9h h ASN 24 N -0.10 -0.41 0.37 1.25 -0.73 0.19 0.16 115.58 116.31 2d9h h ASN 24 Ca 0.15 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.38 2d9h h ASN 24 Cb 0.32 0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 2d9h h ASN 24 CO -0.34 -0.17 -0.12 -0.25 -0.37 0.00 0.00 177.43 176.18 2d9h h TRP 25 N -0.13 0.00 0.00 0.67 2.91 -0.41 -1.01 115.95 117.97 2d9h h TRP 25 Ca 0.10 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.12 2d9h h TRP 25 Cb 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2d9h h TRP 25 CO -0.27 0.12 -0.31 1.25 -1.03 0.00 0.00 178.44 178.20 2d9h h HIS 26 N 0.00 0.00 0.00 2.65 2.76 0.13 -3.30 115.15 117.38 2d9h h HIS 26 Ca -0.00 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.03 2d9h h HIS 26 Cb 0.33 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 2d9h h HIS 26 CO 0.00 0.00 -1.03 1.04 -1.30 0.00 0.00 177.93 176.64 2d9h n GLN 27 N -2.26 0.52 -0.36 5.26 6.02 0.40 -4.12 117.38 122.84 2d9h n GLN 27 Ca 0.04 0.51 0.31 0.00 -0.01 0.00 0.00 57.00 57.85 2d9h n GLN 27 Cb 0.44 -1.69 0.63 0.00 1.02 0.00 0.00 30.24 30.65 2d9h n GLN 27 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2d9h h ARG 28 N -1.00 0.18 -0.69 -1.09 0.11 -1.43 0.62 114.38 111.08 2d9h h ARG 28 Ca -0.21 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 2d9h h ARG 28 Cb 0.97 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.98 2d9h h ARG 28 CO -0.13 0.12 0.27 1.57 0.10 0.00 0.00 179.97 181.91 2d9h h LYS 29 N 0.19 1.01 -0.82 0.08 2.10 -1.74 -2.70 116.57 114.70 2d9h h LYS 29 Ca 0.64 -0.17 0.16 0.00 -2.00 0.00 0.00 60.65 59.28 2d9h h LYS 29 Cb 2.05 -0.17 -0.10 0.00 -0.90 0.00 0.00 32.23 33.11 2d9h h LYS 29 CO -0.21 0.83 0.38 0.45 -2.00 0.00 0.00 179.45 178.90 2d9h h HIS 30 N 1.00 0.65 -0.70 0.07 3.86 0.10 0.31 115.15 120.45 2d9h h HIS 30 Ca 0.23 0.04 0.16 0.00 -1.16 0.00 0.00 60.37 59.64 2d9h h HIS 30 Cb 0.19 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 2d9h h HIS 30 CO 0.02 0.10 0.48 0.00 0.86 0.00 0.00 177.93 179.38 2d9h h ALA 31 N 1.58 2.32 0.13 2.45 0.00 -1.51 0.16 119.26 124.38 2d9h h ALA 31 Ca 0.46 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 55.01 2d9h h ALA 31 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2d9h h ALA 31 CO -0.41 -0.51 -1.89 0.93 0.00 0.00 0.00 179.25 177.37 2d9h h GLU 32 N 0.24 0.27 -0.33 0.00 5.08 -0.67 -3.38 114.58 115.78 2d9h h GLU 32 Ca 0.34 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2d9h h GLU 32 Cb 1.00 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2d9h h GLU 32 CO -0.07 1.22 0.21 1.15 -1.00 0.00 0.00 179.01 180.51 2d9h h THR 33 N -0.01 1.06 -1.56 1.13 2.02 0.16 -2.39 112.91 113.32 2d9h h THR 33 Ca -0.40 -0.14 0.45 0.00 0.77 0.00 0.00 66.41 67.08 2d9h h THR 33 Cb 1.99 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.93 2d9h h THR 33 CO 0.08 0.08 1.14 1.33 0.37 0.00 0.00 175.52 178.52 2d9h n VAL 34 N -4.88 0.00 0.20 3.16 0.24 0.49 0.71 118.33 118.25 2d9h n VAL 34 Ca -0.01 1.19 -0.11 0.00 -2.04 0.00 0.00 64.34 63.38 2d9h n VAL 34 Cb 0.04 -1.99 -0.06 0.00 -1.47 0.00 0.00 33.84 30.36 2d9h n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d9h h ALA 35 N 0.78 -0.56 -0.71 2.33 0.00 -1.66 -3.31 119.26 116.13 2d9h h ALA 35 Ca 0.74 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.56 2d9h h ALA 35 Cb 3.02 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 20.93 2d9h h ALA 35 CO -0.01 -0.56 -0.37 0.00 0.00 0.00 0.00 179.25 178.31 2d9h n ALA 36 N -2.67 -0.33 -1.66 0.00 0.00 0.22 -4.30 120.51 111.78 2d9h n ALA 36 Ca -0.08 0.63 -0.50 0.00 0.00 0.00 0.00 53.44 53.49 2d9h n ALA 36 Cb 0.26 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 2d9h n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d9h n LEU 37 N -4.93 2.67 -0.01 0.00 7.99 -1.21 -4.54 117.00 116.96 2d9h n LEU 37 Ca 0.03 1.07 -0.01 0.00 -0.01 0.00 0.00 56.01 57.09 2d9h n LEU 37 Cb 0.22 -1.31 -0.02 0.00 -0.11 0.00 0.00 43.42 42.20 2d9h n LEU 37 CO -0.11 -0.47 -0.56 -2.11 -1.51 0.00 0.00 177.39 172.63 2d9h n ARG 38 N 4.14 3.40 -3.27 3.23 1.85 -0.02 -4.77 116.66 121.22 2d9h n ARG 38 Ca 0.20 -0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.60 2d9h n ARG 38 Cb 0.24 -1.05 -0.06 0.00 -1.05 0.00 0.00 32.46 30.54 2d9h n ARG 38 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2d9h s PHE 39 N -2.06 3.17 1.02 2.89 0.40 -0.64 -4.92 117.98 117.83 2d9h s PHE 39 Ca -0.01 -1.04 -0.13 0.00 -0.60 0.00 0.00 56.93 55.16 2d9h s PHE 39 Cb 0.01 -3.65 0.20 0.00 0.51 0.00 0.00 43.02 40.08 2d9h s PHE 39 CO 0.09 -1.02 1.09 -1.25 0.70 0.00 0.00 175.22 174.83 2d9h s PRO 40 N 1.96 0.29 -0.37 0.24 0.04 -1.26 -1.14 135.00 134.76 2d9h s PRO 40 Ca 0.06 0.47 -0.10 0.00 0.04 0.00 0.00 61.00 61.47 2d9h s PRO 40 Cb -0.26 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2d9h s PRO 40 CO 0.06 -2.82 0.19 0.00 0.04 0.00 0.00 177.00 174.47 2d9h n GLU 42 N 4.98 0.49 -0.11 0.00 0.00 -1.26 0.45 120.64 125.19 2d9h n GLU 42 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.84 2d9h n GLU 42 Cb 0.46 -1.41 -0.08 0.00 0.00 0.00 0.00 31.44 30.41 2d9h n GLU 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2d9h n PHE 43 N -0.91 0.51 -0.01 -1.84 3.01 -1.26 -4.83 117.46 112.13 2d9h n PHE 43 Ca 0.10 0.22 -0.02 0.00 1.01 0.00 0.00 57.45 58.76 2d9h n PHE 43 Cb 0.04 -0.94 -0.01 0.00 -0.01 0.00 0.00 39.48 38.56 2d9h n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2d9h n GLY 45 N 3.19 1.03 2.38 0.00 0.00 0.17 -5.01 105.19 106.95 2d9h n GLY 45 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2d9h n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d9h n LYS 46 N 0.00 -1.89 -3.78 1.61 5.02 -1.26 -3.97 118.16 113.89 2d9h n LYS 46 Ca 0.00 -0.71 -0.13 0.00 -2.02 0.00 0.00 58.31 55.45 2d9h n LYS 46 Cb 0.00 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 2d9h n LYS 46 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d9h s ARG 47 N -3.46 0.50 0.08 1.97 0.52 -1.26 0.17 118.95 117.46 2d9h s ARG 47 Ca 0.33 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 2d9h s ARG 47 Cb -0.06 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.61 2d9h s ARG 47 CO 0.27 -0.11 -0.09 -0.06 0.02 0.00 0.00 175.30 175.33 2d9h s PHE 48 N -0.64 0.93 0.44 -0.53 0.40 -0.30 -4.83 117.98 113.46 2d9h s PHE 48 Ca -0.07 -0.61 0.40 0.00 -0.60 0.00 0.00 56.93 56.04 2d9h s PHE 48 Cb -0.04 -0.53 2.06 0.00 0.51 0.00 0.00 43.02 45.02 2d9h s PHE 48 CO 0.02 -0.04 2.21 1.05 0.70 0.00 0.00 175.22 179.17 2d9h h GLU 49 N 3.89 0.00 -3.44 0.44 4.11 -1.87 0.25 114.58 117.95 2d9h h GLU 49 Ca -0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.02 2d9h h GLU 49 Cb 1.19 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 2d9h h GLU 49 CO 0.49 0.00 -0.06 -1.59 0.07 0.00 0.00 179.01 177.92 2d9h s LYS 50 N -3.97 1.29 0.04 1.06 -2.85 -1.26 -4.50 119.74 109.56 2d9h s LYS 50 Ca -0.03 -0.92 -0.20 0.00 -1.00 0.00 0.00 55.97 53.82 2d9h s LYS 50 Cb 0.11 0.48 -0.14 0.00 -2.06 0.00 0.00 37.83 36.23 2d9h s LYS 50 CO 0.43 -0.53 1.35 -1.00 0.10 0.00 0.00 175.35 175.70 2d9h h PRO 51 N 2.30 0.38 -1.19 1.78 0.13 -1.91 -3.09 132.00 130.40 2d9h h PRO 51 Ca -0.30 -0.20 0.44 0.00 -0.87 0.00 0.00 66.00 65.07 2d9h h PRO 51 Cb 1.25 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.23 2d9h h PRO 51 CO 0.41 0.76 0.71 0.22 -0.23 0.00 0.00 178.00 179.87 2d9h h ASP 52 N 0.02 0.27 0.78 1.44 1.82 -1.99 1.73 116.42 120.49 2d9h h ASP 52 Ca 0.02 0.21 -0.25 0.00 -0.39 0.00 0.00 57.03 56.62 2d9h h ASP 52 Cb 0.69 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 2d9h h ASP 52 CO 0.04 -0.34 -1.17 0.28 -1.61 0.00 0.00 179.24 176.44 2d9h h SER 53 N 0.02 0.22 0.30 2.28 0.02 -1.98 -3.09 113.55 111.32 2d9h h SER 53 Ca 0.86 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 61.48 2d9h h SER 53 Cb 2.51 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.97 2d9h h SER 53 CO -0.61 1.19 -0.38 0.58 -1.14 0.00 0.00 176.83 176.46 2d9h h VAL 54 N 0.04 1.29 -0.01 2.27 2.07 0.25 -0.36 116.25 121.80 2d9h h VAL 54 Ca -0.09 -1.40 -0.24 0.00 0.82 0.00 0.00 66.70 65.79 2d9h h VAL 54 Cb 1.89 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 33.34 2d9h h VAL 54 CO 0.16 0.41 -0.97 0.00 0.02 0.00 0.00 177.57 177.19 2d9h h ALA 55 N 1.51 0.28 -0.04 1.67 0.00 -0.81 -3.22 119.26 118.65 2d9h h ALA 55 Ca 0.01 -0.70 -0.21 0.00 0.00 0.00 0.00 54.91 54.01 2d9h h ALA 55 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2d9h h ALA 55 CO 0.05 0.76 -0.85 0.00 0.00 0.00 0.00 179.25 179.21 2d9h h ALA 56 N 0.61 0.44 -0.58 0.00 0.00 -1.43 -3.18 119.26 115.12 2d9h h ALA 56 Ca -0.10 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.21 2d9h h ALA 56 Cb 1.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2d9h h ALA 56 CO 0.18 0.79 0.38 1.25 0.00 0.00 0.00 179.25 181.85 2d9h h HIS 57 N 0.27 0.54 0.00 0.00 -0.00 -1.12 0.83 115.15 115.67 2d9h h HIS 57 Ca -0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 2d9h h HIS 57 Cb 1.47 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 28.70 2d9h h HIS 57 CO 0.06 0.29 -0.08 0.00 -0.00 0.00 0.00 177.93 178.19 2d9h h ARG 58 N 0.54 0.00 -0.01 5.26 3.08 -1.56 0.77 114.38 122.46 2d9h h ARG 58 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2d9h h ARG 58 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2d9h h ARG 58 CO -0.07 0.08 -0.30 0.43 -1.07 0.00 0.00 179.97 179.04 2d9h n SER 59 N -3.30 1.41 -0.01 7.04 7.64 0.25 -0.51 113.62 126.13 2d9h n SER 59 Ca -0.01 -1.15 -0.01 0.00 1.01 0.00 0.00 58.87 58.71 2d9h n SER 59 Cb 0.28 0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 2d9h n SER 59 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2d9h n LYS 60 N -0.35 3.14 -0.02 1.43 4.76 -0.66 -4.34 118.16 122.11 2d9h n LYS 60 Ca 0.12 -0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.54 2d9h n LYS 60 Cb 0.39 -1.08 -0.04 0.00 -1.84 0.00 0.00 35.03 32.46 2d9h n LYS 60 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2d9h n SER 61 N -2.06 3.65 -0.75 4.39 2.88 0.26 -4.65 113.62 117.33 2d9h n SER 61 Ca -0.04 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.53 2d9h n SER 61 Cb 0.54 0.76 0.21 0.00 -0.75 0.00 0.00 64.21 64.97 2d9h n SER 61 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2d9h n HIS 62 N -2.10 0.30 0.65 0.66 8.25 -0.51 -4.71 115.22 117.76 2d9h n HIS 62 Ca -0.07 -1.52 0.07 0.00 -0.26 0.00 0.00 57.72 55.93 2d9h n HIS 62 Cb 0.58 -0.32 0.36 0.00 1.12 0.00 0.00 29.99 31.72 2d9h n HIS 62 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2d9h n PRO 63 N -1.13 0.16 0.01 -0.41 -0.04 0.33 -2.08 135.00 131.85 2d9h n PRO 63 Ca 0.23 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 2d9h n PRO 63 Cb 0.79 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.62 2d9h n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9h n ALA 64 N -1.33 2.97 -0.08 0.55 0.00 -1.26 -4.42 120.51 116.94 2d9h n ALA 64 Ca 0.06 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 2d9h n ALA 64 Cb 0.13 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 2d9h n ALA 64 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2d9h h LEU 65 N 0.00 0.07 -0.98 0.00 4.07 -1.76 -3.38 115.31 113.33 2d9h h LEU 65 Ca 0.00 -0.58 0.27 0.00 0.08 0.00 0.00 57.88 57.65 2d9h h LEU 65 Cb 0.94 -0.02 -0.18 0.00 1.08 0.00 0.00 40.66 42.47 2d9h h LEU 65 CO 0.00 1.55 0.05 -0.07 -1.08 0.00 0.00 178.44 178.89 2d9h h LEU 66 N -0.82 -0.44-10.17 1.67 3.38 -1.71 -3.40 115.31 103.82 2d9h h LEU 66 Ca -0.36 0.28 -0.39 0.00 0.09 0.00 0.00 57.88 57.49 2d9h h LEU 66 Cb 1.43 0.47 0.21 0.00 0.09 0.00 0.00 40.66 42.86 2d9h h LEU 66 CO -0.16 -0.35 -0.03 -0.76 0.09 0.00 0.00 178.44 177.23 2d9h s LEU 67 N -10.96 -0.47 0.25 1.67 1.02 -1.26 -5.05 118.68 103.88 2d9h s LEU 67 Ca -0.13 0.75 0.06 0.00 0.02 0.00 0.00 54.13 54.83 2d9h s LEU 67 Cb 0.29 -2.27 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2d9h s LEU 67 CO 0.78 -4.95 0.25 0.00 0.02 0.00 0.00 176.35 172.45 2d9h s ALA 68 N -2.55 3.71 -0.42 4.21 0.00 -1.26 -5.05 121.76 120.40 2d9h s ALA 68 Ca 0.70 -1.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 2d9h s ALA 68 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2d9h s ALA 68 CO 0.57 0.23 1.74 -1.25 0.00 0.00 0.00 175.76 177.05 2d9h s PRO 69 N -3.90 3.20 -0.04 0.00 0.04 -1.26 -4.99 135.00 128.06 2d9h s PRO 69 Ca 0.34 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 2d9h s PRO 69 Cb -0.08 -4.21 -0.05 0.00 0.04 0.00 0.00 34.50 30.19 2d9h s PRO 69 CO 0.26 -2.02 0.47 -0.65 0.04 0.00 0.00 177.00 175.11 2d9h s GLN 70 N 5.87 4.18 0.22 4.56 -1.52 -1.26 -5.08 119.66 126.62 2d9h s GLN 70 Ca 0.73 0.49 0.09 0.00 -1.95 0.00 0.00 55.36 54.72 2d9h s GLN 70 Cb -0.18 -3.33 -0.04 0.00 -0.22 0.00 0.00 33.01 29.24 2d9h s GLN 70 CO 0.30 0.42 -0.04 -1.83 -0.25 0.00 0.00 175.29 173.89 2d9h s GLU 71 N -0.25 2.20 -0.10 2.91 4.04 -1.26 -5.13 118.70 121.11 2d9h s GLU 71 Ca 0.26 -1.33 -0.03 0.00 0.04 0.00 0.00 54.97 53.91 2d9h s GLU 71 Cb -0.16 -2.17 -0.03 0.00 0.02 0.00 0.00 34.13 31.78 2d9h s GLU 71 CO 0.13 0.40 0.02 -1.54 -1.84 0.00 0.00 175.26 172.43 2d9h s SER 72 N -3.25 5.39 -0.12 0.83 1.04 -1.26 -5.11 113.70 111.22 2d9h s SER 72 Ca 0.28 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 2d9h s SER 72 Cb -0.08 -1.58 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 2d9h s SER 72 CO 0.18 0.37 0.03 -0.94 0.98 0.00 0.00 173.24 173.86 2d9h s SER 73 N -0.81 5.45 -0.19 7.02 1.04 -1.26 -5.09 113.70 119.87 2d9h s SER 73 Ca 0.12 0.14 -0.33 0.00 0.48 0.00 0.00 55.95 56.36 2d9h s SER 73 Cb -0.12 -1.72 0.14 0.00 0.10 0.00 0.00 66.02 64.42 2d9h s SER 73 CO 0.02 0.30 1.19 -0.83 0.98 0.00 0.00 173.24 174.91 2d9h s GLY 74 N -0.43 -0.25 0.56 7.32 0.00 -1.26 -5.18 107.32 108.09 2d9h s GLY 74 Ca 0.09 1.78 -0.09 0.00 0.00 0.00 0.00 44.72 46.50 2d9h s GLY 74 CO 0.02 0.65 0.50 -1.55 0.00 0.00 0.00 173.10 172.72 2d9h n PRO 75 N 0.07 -2.00 -3.87 2.90 -0.04 -1.26 -5.03 135.00 125.77 2d9h n PRO 75 Ca -0.01 -0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 62.30 2d9h n PRO 75 Cb 0.58 -0.74 -0.12 0.00 -0.04 0.00 0.00 33.50 33.18 2d9h n PRO 75 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d9h s SER 76 N -2.84 5.06 0.11 3.54 0.01 -1.26 -5.09 113.70 113.22 2d9h s SER 76 Ca 0.32 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.42 2d9h s SER 76 Cb -0.03 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2d9h s SER 76 CO 0.25 0.01 -0.08 -0.55 0.41 0.00 0.00 173.24 173.28 2d9h s SER 77 N 1.32 1.33 0.00 2.44 0.15 -1.26 -5.38 113.70 112.30 2d9h s SER 77 Ca 0.05 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2d9h s SER 77 Cb -0.15 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2d9h s SER 77 CO 0.03 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.66