#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 1.80 -0.03 1.61 0.01 -1.26 -5.13 113.70 110.71 2d9h s SER 2 Ca 0.00 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 56.71 2d9h s SER 2 Cb 0.00 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 2d9h s SER 2 CO 0.00 0.14 0.81 -0.44 0.41 0.00 0.00 173.24 174.15 2d9h s SER 3 N -0.01 7.15 0.00 2.44 0.01 -1.26 -4.08 113.70 117.95 2d9h s SER 3 Ca -0.01 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2d9h s SER 3 Cb -0.09 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2d9h s SER 3 CO 0.01 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2d9h n GLY 4 N 2.93 3.97 0.32 3.44 0.00 -1.26 -5.00 105.19 109.59 2d9h n GLY 4 Ca 0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 -0.80 -4.78 1.61 2.88 -1.26 -4.39 113.62 106.89 2d9h n SER 5 Ca 0.00 1.50 -0.36 0.00 -1.33 0.00 0.00 58.87 58.69 2d9h n SER 5 Cb 0.00 -0.25 -0.01 0.00 -0.75 0.00 0.00 64.21 63.20 2d9h n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d9h s SER 6 N -5.02 6.05 0.00 -3.46 0.15 -1.26 -4.89 113.70 105.27 2d9h s SER 6 Ca -0.09 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.74 2d9h s SER 6 Cb 0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2d9h s SER 6 CO 0.47 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2d9h n GLY 7 N 0.22 1.75 3.78 9.45 0.00 -1.26 -4.96 105.19 114.17 2d9h n GLY 7 Ca 0.09 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 2d9h n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9h s LEU 8 N 0.00 3.39 -0.19 0.99 1.43 -0.62 -4.86 118.68 118.82 2d9h s LEU 8 Ca 0.00 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.00 2d9h s LEU 8 Cb 0.00 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.74 2d9h s LEU 8 CO 0.00 -1.54 0.07 -1.58 0.23 0.00 0.00 176.35 173.53 2d9h s GLN 9 N -4.14 0.28 0.59 1.70 2.00 -1.26 -2.01 119.66 116.82 2d9h s GLN 9 Ca 0.66 -0.24 -0.19 0.00 -2.00 0.00 0.00 55.36 53.59 2d9h s GLN 9 Cb -0.19 -1.90 -0.03 0.00 0.80 0.00 0.00 33.01 31.68 2d9h s GLN 9 CO 0.41 -0.68 1.25 0.00 -0.50 0.00 0.00 175.29 175.77 2d9h n GLU 11 N -1.52 0.68 0.10 0.00 0.28 -1.26 -2.94 120.64 115.97 2d9h n GLU 11 Ca 0.13 0.06 -0.13 0.00 -0.16 0.00 0.00 57.16 57.06 2d9h n GLU 11 Cb 0.48 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.75 2d9h n GLU 11 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2d9h h ILE 12 N 0.00 0.00 0.00 3.84 5.03 -1.99 -3.37 117.51 121.03 2d9h h ILE 12 Ca -0.55 0.00 -0.30 0.00 -0.12 0.00 0.00 64.86 63.89 2d9h h ILE 12 Cb 2.12 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 35.86 2d9h h ILE 12 CO -0.01 0.00 -2.08 0.00 -0.68 0.00 0.00 178.15 175.37 2d9h n GLY 14 N 2.41 1.80 3.94 0.00 0.00 -1.15 -5.07 105.19 107.11 2d9h n GLY 14 Ca -0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 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 1.94 -0.01 1.61 5.36 -1.25 -4.71 117.98 118.92 2d9h s PHE 15 Ca 0.00 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2d9h s PHE 15 Cb 0.00 -3.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.02 2d9h s PHE 15 CO 0.00 -2.17 0.02 0.95 -1.46 0.00 0.00 175.22 172.55 2d9h s THR 16 N -3.61 -0.02 -0.17 0.12 -4.23 -1.26 0.02 115.64 106.48 2d9h s THR 16 Ca 0.69 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 61.21 2d9h s THR 16 Cb -0.06 -0.06 0.06 0.00 1.34 0.00 0.00 72.50 73.78 2d9h s THR 16 CO 0.50 0.05 0.43 0.00 -0.54 0.00 0.00 174.62 175.05 2d9h h ARG 18 N 6.76 -0.63 -6.31 0.00 2.47 -1.93 -1.66 114.38 113.09 2d9h h ARG 18 Ca -0.34 0.04 -0.55 0.00 -1.26 0.00 0.00 59.98 57.87 2d9h h ARG 18 Cb 1.18 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 2d9h h ARG 18 CO 0.28 -0.33 0.82 -0.65 0.56 0.00 0.00 179.97 180.64 2d9h s GLN 19 N -4.42 4.29 0.09 0.04 -1.52 -1.26 -4.56 119.66 112.32 2d9h s GLN 19 Ca -0.13 1.84 -0.27 0.00 -1.95 0.00 0.00 55.36 54.85 2d9h s GLN 19 Cb 0.02 -3.63 -0.15 0.00 -0.22 0.00 0.00 33.01 29.03 2d9h s GLN 19 CO 0.45 -0.58 1.69 -0.22 -0.25 0.00 0.00 175.29 176.38 2d9h h LYS 20 N 7.89 -0.35 -0.75 2.91 1.63 -2.00 -2.99 116.57 122.91 2d9h h LYS 20 Ca -0.35 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.56 2d9h h LYS 20 Cb 1.16 0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 32.77 2d9h h LYS 20 CO 0.91 -0.23 -0.40 0.00 -3.45 0.00 0.00 179.45 176.28 2d9h n ALA 21 N -2.31 -0.36 -0.13 5.00 0.00 -1.26 0.94 120.51 122.40 2d9h n ALA 21 Ca -0.09 0.67 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 2d9h n ALA 21 Cb 0.18 -0.18 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 0.05 -0.61 0.00 0.02 -1.95 -2.01 113.55 109.05 2d9h h SER 22 Ca 0.16 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 2d9h h SER 22 Cb 0.35 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.88 2d9h h SER 22 CO -0.72 0.06 0.13 0.25 -1.14 0.00 0.00 176.83 175.42 2d9h h LEU 23 N 0.24 0.01 0.30 5.07 5.85 0.72 -0.04 115.31 127.45 2d9h h LEU 23 Ca 0.20 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2d9h h LEU 23 Cb 0.23 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2d9h h LEU 23 CO -0.25 0.01 -0.39 0.78 -0.34 0.00 0.00 178.44 178.25 2d9h h ASN 24 N 0.26 -1.09 -0.13 1.25 2.35 -0.37 -0.89 115.58 116.97 2d9h h ASN 24 Ca 0.32 0.10 0.04 0.00 -0.55 0.00 0.00 56.30 56.21 2d9h h ASN 24 Cb 0.48 0.38 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2d9h h ASN 24 CO -0.41 -0.52 0.13 -0.25 -1.65 0.00 0.00 177.43 174.74 2d9h h TRP 25 N -0.74 0.00 0.00 1.19 2.91 -1.07 0.28 115.95 118.52 2d9h h TRP 25 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2d9h h TRP 25 Cb 0.69 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 2d9h h TRP 25 CO -0.26 0.00 0.00 1.58 -1.03 0.00 0.00 178.44 178.73 2d9h n HIS 26 N -3.99 0.95 -0.08 2.65 -0.00 -0.08 -3.75 115.22 110.92 2d9h n HIS 26 Ca 0.00 0.29 -0.23 0.00 0.46 0.00 0.00 57.72 58.24 2d9h n HIS 26 Cb 0.25 -0.97 -0.12 0.00 -0.12 0.00 0.00 29.99 29.03 2d9h n HIS 26 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2d9h n GLN 27 N -2.29 0.63 -0.36 1.57 6.02 0.90 -4.25 117.38 119.60 2d9h n GLN 27 Ca 0.05 0.39 0.32 0.00 -0.01 0.00 0.00 57.00 57.75 2d9h n GLN 27 Cb 0.41 -1.67 0.58 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.61 0.10 -0.67 -1.09 0.11 -1.40 1.32 114.38 112.14 2d9h h ARG 28 Ca -0.46 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 59.56 2d9h h ARG 28 Cb 1.62 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 32.65 2d9h h ARG 28 CO -0.16 0.07 0.20 1.57 0.10 0.00 0.00 179.97 181.75 2d9h h LYS 29 N 0.11 1.04 -0.88 0.08 2.10 -1.74 -2.58 116.57 114.70 2d9h h LYS 29 Ca 0.81 -0.22 0.15 0.00 -2.00 0.00 0.00 60.65 59.39 2d9h h LYS 29 Cb 2.22 -0.15 -0.07 0.00 -0.90 0.00 0.00 32.23 33.32 2d9h h LYS 29 CO -0.62 0.90 0.57 0.45 -2.00 0.00 0.00 179.45 178.75 2d9h h HIS 30 N 1.00 0.78 -0.97 0.07 3.86 0.16 0.28 115.15 120.32 2d9h h HIS 30 Ca 0.22 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.59 2d9h h HIS 30 Cb 0.31 -0.24 -0.08 0.00 1.06 0.00 0.00 27.41 28.45 2d9h h HIS 30 CO 0.02 0.28 0.61 0.00 0.86 0.00 0.00 177.93 179.71 2d9h h ALA 31 N 1.60 1.65 0.10 2.45 0.00 -1.34 0.10 119.26 123.83 2d9h h ALA 31 Ca 0.44 0.03 -0.35 0.00 0.00 0.00 0.00 54.91 55.03 2d9h h ALA 31 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2d9h h ALA 31 CO -0.20 0.08 -1.94 -0.85 0.00 0.00 0.00 179.25 176.34 2d9h n GLU 32 N -4.62 0.74 -0.03 0.00 0.28 -0.14 -4.29 120.64 112.57 2d9h n GLU 32 Ca 0.19 0.27 -0.09 0.00 -0.16 0.00 0.00 57.16 57.37 2d9h n GLU 32 Cb 0.43 -1.73 -0.03 0.00 1.43 0.00 0.00 31.44 31.54 2d9h n GLU 32 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2d9h h THR 33 N 0.06 0.87 -1.00 3.84 2.02 -0.11 -2.24 112.91 116.36 2d9h h THR 33 Ca -0.40 -0.02 0.40 0.00 0.77 0.00 0.00 66.41 67.17 2d9h h THR 33 Cb 2.03 0.81 -0.18 0.00 -1.74 0.00 0.00 68.15 69.08 2d9h h THR 33 CO 0.09 0.01 0.48 0.55 0.37 0.00 0.00 175.52 177.02 2d9h n VAL 34 N -5.14 -0.42 0.17 3.16 3.14 0.32 0.19 118.33 119.76 2d9h n VAL 34 Ca -0.03 2.04 -0.14 0.00 -2.96 0.00 0.00 64.34 63.25 2d9h n VAL 34 Cb 0.10 -3.28 -0.07 0.00 -1.06 0.00 0.00 33.84 29.54 2d9h n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2d9h h ALA 35 N 1.99 -0.51 -0.78 1.55 0.00 -1.61 -2.74 119.26 117.16 2d9h h ALA 35 Ca 0.82 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.82 2d9h h ALA 35 Cb 2.13 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 20.13 2d9h h ALA 35 CO -0.79 -0.82 -0.15 0.00 0.00 0.00 0.00 179.25 177.50 2d9h n ALA 36 N -2.51 0.24 -1.99 0.00 0.00 0.13 -4.09 120.51 112.28 2d9h n ALA 36 Ca -0.08 0.86 -0.42 0.00 0.00 0.00 0.00 53.44 53.79 2d9h n ALA 36 Cb 0.28 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2d9h n ALA 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d9h s LEU 37 N -10.48 4.23 -0.01 0.00 2.01 -1.03 -4.25 118.68 109.15 2d9h s LEU 37 Ca -0.11 2.15 0.02 0.00 0.01 0.00 0.00 54.13 56.20 2d9h s LEU 37 Cb 0.22 -3.53 -0.03 0.00 0.01 0.00 0.00 46.19 42.86 2d9h s LEU 37 CO 0.61 -1.02 0.02 -2.11 1.01 0.00 0.00 176.35 174.86 2d9h n ARG 38 N 7.29 2.41 -3.23 1.70 0.00 0.15 -4.76 116.66 120.22 2d9h n ARG 38 Ca 0.18 -0.01 -0.45 0.00 -0.00 0.00 0.00 57.85 57.57 2d9h n ARG 38 Cb 0.43 -1.05 -0.06 0.00 -0.00 0.00 0.00 32.46 31.79 2d9h n ARG 38 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2d9h s PHE 39 N -2.08 3.12 1.01 2.89 0.08 -0.77 -4.92 117.98 117.31 2d9h s PHE 39 Ca -0.01 -0.97 -0.13 0.00 0.12 0.00 0.00 56.93 55.95 2d9h s PHE 39 Cb 0.01 -3.71 0.20 0.00 -0.57 0.00 0.00 43.02 38.95 2d9h s PHE 39 CO 0.08 -1.08 1.09 -1.25 -0.10 0.00 0.00 175.22 173.97 2d9h s PRO 40 N 2.18 0.30 -0.36 0.24 0.04 -1.26 -1.10 135.00 135.03 2d9h s PRO 40 Ca 0.08 0.48 -0.08 0.00 0.04 0.00 0.00 61.00 61.52 2d9h s PRO 40 Cb -0.25 -1.73 0.04 0.00 0.04 0.00 0.00 34.50 32.61 2d9h s PRO 40 CO 0.06 -2.81 0.16 0.00 0.04 0.00 0.00 177.00 174.46 2d9h h GLU 42 N 8.32 0.00 0.11 0.00 4.57 -1.91 2.02 114.58 127.69 2d9h h GLU 42 Ca -0.24 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2d9h h GLU 42 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2d9h h GLU 42 CO 0.65 0.00 -0.05 0.74 -1.18 0.00 0.00 179.01 179.16 2d9h h PHE 43 N 0.00 -0.14 0.00 0.92 -1.00 -1.97 -3.43 116.94 111.32 2d9h h PHE 43 Ca 0.00 -0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 2d9h h PHE 43 Cb 0.18 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 2d9h h PHE 43 CO 0.00 0.12 -1.53 0.00 -1.61 0.00 0.00 178.31 175.30 2d9h n GLY 45 N 2.83 1.16 2.79 0.00 0.00 0.68 -4.99 105.19 107.67 2d9h n GLY 45 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 -3.82 1.61 5.02 -1.25 -3.77 118.16 113.88 2d9h n LYS 46 Ca 0.00 -0.82 -0.12 0.00 -2.02 0.00 0.00 58.31 55.35 2d9h n LYS 46 Cb 0.00 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.45 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 -3.71 0.20 0.15 1.97 0.52 -1.26 0.22 118.95 117.03 2d9h s ARG 47 Ca 0.38 0.20 0.06 0.00 -0.52 0.00 0.00 55.73 55.84 2d9h s ARG 47 Cb -0.07 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 2d9h s ARG 47 CO 0.32 -0.03 -0.13 -0.06 0.02 0.00 0.00 175.30 175.42 2d9h s PHE 48 N 0.03 1.43 -0.75 -0.53 0.40 -0.26 -4.83 117.98 113.47 2d9h s PHE 48 Ca -0.01 -0.63 0.18 0.00 -0.60 0.00 0.00 56.93 55.88 2d9h s PHE 48 Cb -0.01 -0.72 0.76 0.00 0.51 0.00 0.00 43.02 43.56 2d9h s PHE 48 CO 0.00 0.18 1.55 -0.85 0.70 0.00 0.00 175.22 176.80 2d9h n GLU 49 N 0.08 0.09 -3.54 0.44 0.28 -1.26 -0.68 120.64 116.04 2d9h n GLU 49 Ca -0.12 0.35 -0.10 0.00 -0.16 0.00 0.00 57.16 57.13 2d9h n GLU 49 Cb 0.59 -1.67 -0.02 0.00 1.43 0.00 0.00 31.44 31.76 2d9h n GLU 49 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2d9h s LYS 50 N -3.16 1.34 0.10 3.44 -2.85 -1.26 -4.62 119.74 112.74 2d9h s LYS 50 Ca 0.05 -0.58 -0.14 0.00 -1.00 0.00 0.00 55.97 54.30 2d9h s LYS 50 Cb 0.09 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.34 2d9h s LYS 50 CO 0.30 -0.60 1.43 -1.00 0.10 0.00 0.00 175.35 175.58 2d9h h PRO 51 N 2.00 0.73 -1.31 1.78 0.13 -1.91 -3.06 132.00 130.36 2d9h h PRO 51 Ca -0.29 -0.38 0.39 0.00 -0.87 0.00 0.00 66.00 64.85 2d9h h PRO 51 Cb 1.29 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 2d9h h PRO 51 CO 0.33 1.00 0.88 -0.44 -0.23 0.00 0.00 178.00 179.54 2d9h h ASP 52 N 0.48 0.21 0.78 1.44 5.19 -2.00 1.09 116.42 123.61 2d9h h ASP 52 Ca 0.05 0.08 -0.24 0.00 -0.62 0.00 0.00 57.03 56.29 2d9h h ASP 52 Cb 0.87 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.39 2d9h h ASP 52 CO 0.07 -0.05 -1.31 0.28 -3.12 0.00 0.00 179.24 175.11 2d9h h SER 53 N 0.13 0.00 0.63 6.45 0.02 -1.97 -3.21 113.55 115.60 2d9h h SER 53 Ca 0.73 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.57 2d9h h SER 53 Cb 2.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.92 2d9h h SER 53 CO -0.25 0.96 -0.48 0.58 -1.14 0.00 0.00 176.83 176.50 2d9h h VAL 54 N 0.00 1.21 0.02 2.27 2.07 0.12 -1.05 116.25 120.89 2d9h h VAL 54 Ca -0.14 -1.71 -0.23 0.00 0.82 0.00 0.00 66.70 65.44 2d9h h VAL 54 Cb 1.86 1.96 0.02 0.00 -1.52 0.00 0.00 31.29 33.60 2d9h h VAL 54 CO 0.10 0.47 -0.89 0.00 0.02 0.00 0.00 177.57 177.27 2d9h h ALA 55 N 1.52 0.08 -0.23 1.67 0.00 -0.94 -3.25 119.26 118.10 2d9h h ALA 55 Ca -0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.05 2d9h h ALA 55 Cb 0.92 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2d9h h ALA 55 CO 0.06 0.55 -0.62 0.00 0.00 0.00 0.00 179.25 179.23 2d9h h ALA 56 N 0.34 0.46 -0.95 0.00 0.00 -1.55 -3.14 119.26 114.41 2d9h h ALA 56 Ca -0.12 -0.54 0.18 0.00 0.00 0.00 0.00 54.91 54.43 2d9h h ALA 56 Cb 1.58 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 2d9h h ALA 56 CO 0.18 0.69 0.61 1.25 0.00 0.00 0.00 179.25 181.97 2d9h h HIS 57 N 0.59 0.83 0.00 0.00 6.17 -1.28 0.63 115.15 122.09 2d9h h HIS 57 Ca -0.01 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2d9h h HIS 57 Cb 1.23 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 30.91 2d9h h HIS 57 CO 0.07 0.22 0.00 0.00 0.71 0.00 0.00 177.93 178.94 2d9h h ARG 58 N 0.63 0.00 -0.01 5.26 3.08 -1.58 0.48 114.38 122.24 2d9h h ARG 58 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 2d9h h ARG 58 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2d9h h ARG 58 CO -0.27 0.00 -0.27 0.45 -1.07 0.00 0.00 179.97 178.81 2d9h n SER 59 N -2.92 1.33 -0.01 7.04 2.88 0.22 -0.35 113.62 121.81 2d9h n SER 59 Ca 0.00 -1.11 -0.01 0.00 -1.33 0.00 0.00 58.87 56.42 2d9h n SER 59 Cb 0.24 0.19 -0.01 0.00 -0.75 0.00 0.00 64.21 63.88 2d9h n SER 59 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2d9h n LYS 60 N -0.38 2.36 -0.04 -1.46 4.76 -0.63 -4.35 118.16 118.41 2d9h n LYS 60 Ca 0.12 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.54 2d9h n LYS 60 Cb 0.38 -1.05 -0.09 0.00 -1.84 0.00 0.00 35.03 32.43 2d9h n LYS 60 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2d9h n SER 61 N -2.26 2.34 -0.76 4.39 7.64 0.16 -4.59 113.62 120.55 2d9h n SER 61 Ca -0.04 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.87 2d9h n SER 61 Cb 0.56 0.92 0.21 0.00 -1.01 0.00 0.00 64.21 64.89 2d9h n SER 61 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2d9h n HIS 62 N -2.30 0.31 0.66 1.43 8.25 -0.62 -4.71 115.22 118.24 2d9h n HIS 62 Ca -0.14 -1.53 0.07 0.00 -0.26 0.00 0.00 57.72 55.86 2d9h n HIS 62 Cb 0.74 -0.32 0.36 0.00 1.12 0.00 0.00 29.99 31.89 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 -1.12 0.17 0.03 -0.41 -0.04 0.52 -2.01 135.00 132.14 2d9h n PRO 63 Ca 0.23 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 2d9h n PRO 63 Cb 0.79 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.32 3.30 -0.10 0.55 0.00 -1.26 -4.28 120.51 117.39 2d9h n ALA 64 Ca 0.06 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 2d9h n ALA 64 Cb 0.13 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 2d9h n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d9h n LEU 65 N -2.06 1.90 -0.31 0.00 4.77 -0.85 -4.44 117.00 116.01 2d9h n LEU 65 Ca 0.01 0.41 0.18 0.00 -0.03 0.00 0.00 56.01 56.58 2d9h n LEU 65 Cb 0.46 -0.83 0.35 0.00 -2.33 0.00 0.00 43.42 41.07 2d9h n LEU 65 CO 0.41 0.02 0.80 0.18 -1.33 0.00 0.00 177.39 177.48 2d9h n LEU 66 N -4.43 0.01 -4.48 2.23 4.77 -1.06 -4.47 117.00 109.57 2d9h n LEU 66 Ca -0.27 1.56 -0.32 0.00 -0.03 0.00 0.00 56.01 56.95 2d9h n LEU 66 Cb 0.60 -0.62 0.14 0.00 -2.33 0.00 0.00 43.42 41.21 2d9h n LEU 66 CO 0.13 -1.63 0.11 -0.11 -1.33 0.00 0.00 177.39 174.56 2d9h n LEU 67 N -5.29 0.59 -4.71 2.23 7.94 -1.26 -4.92 117.00 111.58 2d9h n LEU 67 Ca 0.25 0.32 -0.42 0.00 -1.11 0.00 0.00 56.01 55.05 2d9h n LEU 67 Cb 0.84 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 43.49 2d9h n LEU 67 CO -0.05 -3.21 0.79 0.00 -1.11 0.00 0.00 177.39 173.81 2d9h s ALA 68 N -2.45 3.29 0.74 1.96 0.00 -1.26 -5.03 121.76 119.01 2d9h s ALA 68 Ca 0.60 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 2d9h s ALA 68 Cb -0.21 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.56 2d9h s ALA 68 CO 0.65 -0.33 1.10 -1.25 0.00 0.00 0.00 175.76 175.92 2d9h s PRO 69 N 0.98 2.39 0.18 0.00 0.04 -1.26 -5.06 135.00 132.27 2d9h s PRO 69 Ca 0.55 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.86 2d9h s PRO 69 Cb -0.26 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2d9h s PRO 69 CO 0.29 -1.55 0.25 -1.14 0.04 0.00 0.00 177.00 174.89 2d9h s GLN 70 N -4.71 3.25 0.48 4.56 2.00 -1.26 -5.13 119.66 118.85 2d9h s GLN 70 Ca 0.63 -0.75 0.05 0.00 -2.00 0.00 0.00 55.36 53.29 2d9h s GLN 70 Cb -0.18 -2.83 -0.02 0.00 0.80 0.00 0.00 33.01 30.78 2d9h s GLN 70 CO 0.52 0.48 0.14 -1.83 -0.50 0.00 0.00 175.29 174.11 2d9h s GLU 71 N -3.41 2.18 0.48 1.67 -1.05 -1.26 -5.16 118.70 112.15 2d9h s GLU 71 Ca 0.33 -2.12 0.06 0.00 -0.15 0.00 0.00 54.97 53.09 2d9h s GLU 71 Cb -0.10 -1.80 -0.01 0.00 -0.44 0.00 0.00 34.13 31.78 2d9h s GLU 71 CO 0.27 -0.30 0.25 -1.12 0.95 0.00 0.00 175.26 175.30 2d9h s SER 72 N -3.95 4.49 0.67 0.83 0.01 -1.26 -5.11 113.70 109.39 2d9h s SER 72 Ca 0.26 -1.21 -0.17 0.00 1.31 0.00 0.00 55.95 56.14 2d9h s SER 72 Cb 0.03 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.27 2d9h s SER 72 CO 0.15 -0.81 1.27 -0.94 0.41 0.00 0.00 173.24 173.31 2d9h s SER 73 N -4.05 4.46 0.00 2.44 1.04 -1.26 -4.75 113.70 111.58 2d9h s SER 73 Ca 0.33 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.31 2d9h s SER 73 Cb 0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2d9h s SER 73 CO 0.19 -2.09 0.00 0.61 0.98 0.00 0.00 173.24 172.93 2d9h n GLY 74 N 0.76 -0.00 0.00 7.32 0.00 -1.26 -4.55 105.19 107.46 2d9h n GLY 74 Ca 0.15 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.53 2d9h n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9h n PRO 75 N 0.14 0.30 -0.25 1.61 -0.04 -1.26 -3.90 135.00 131.60 2d9h n PRO 75 Ca 0.00 0.10 0.20 0.00 -0.04 0.00 0.00 63.50 63.75 2d9h n PRO 75 Cb 0.00 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.33 2d9h n PRO 75 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d9h n SER 76 N -1.19 0.14 -4.39 3.54 7.64 -1.26 -3.77 113.62 114.33 2d9h n SER 76 Ca 0.09 1.29 -0.35 0.00 1.01 0.00 0.00 58.87 60.91 2d9h n SER 76 Cb 0.10 -0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 62.60 2d9h n SER 76 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d9h s SER 77 N -4.77 4.59 0.00 6.43 0.15 -1.25 -5.12 113.70 113.73 2d9h s SER 77 Ca -0.08 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2d9h s SER 77 Cb 0.25 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2d9h s SER 77 CO 0.60 0.04 0.03 0.61 1.20 0.00 0.00 173.24 175.72