#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9h n SER 2 N 0.00 3.21 -3.97 1.61 2.88 -1.26 -4.99 113.62 111.10 2d9h n SER 2 Ca 0.00 1.18 -0.30 0.00 -1.33 0.00 0.00 58.87 58.42 2d9h n SER 2 Cb 0.00 -1.52 -0.16 0.00 -0.75 0.00 0.00 64.21 61.78 2d9h n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d9h s SER 3 N 0.11 3.22 -0.17 -3.46 0.15 -1.26 -4.99 113.70 107.30 2d9h s SER 3 Ca 0.61 -0.82 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 2d9h s SER 3 Cb -0.56 -1.14 -0.08 0.00 -1.71 0.00 0.00 66.02 62.53 2d9h s SER 3 CO 0.55 -0.15 -0.21 0.61 1.20 0.00 0.00 173.24 175.24 2d9h n GLY 4 N 4.74 -0.27 3.58 9.45 0.00 -1.26 -4.94 105.19 116.49 2d9h n GLY 4 Ca -0.14 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2d9h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9h s SER 5 N -6.39 6.41 0.13 1.61 0.01 -1.26 -5.03 113.70 109.18 2d9h s SER 5 Ca -0.24 0.23 -0.31 0.00 1.31 0.00 0.00 55.95 56.94 2d9h s SER 5 Cb 0.09 -2.30 -0.10 0.00 0.21 0.00 0.00 66.02 63.92 2d9h s SER 5 CO 0.32 -0.46 1.62 -0.55 0.41 0.00 0.00 173.24 174.58 2d9h s SER 6 N 1.70 6.57 0.21 2.44 0.15 -1.26 -4.90 113.70 118.60 2d9h s SER 6 Ca 0.22 2.59 -0.31 0.00 0.70 0.00 0.00 55.95 59.15 2d9h s SER 6 Cb -0.15 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.43 2d9h s SER 6 CO 0.12 -0.87 1.20 0.61 1.20 0.00 0.00 173.24 175.51 2d9h n GLY 7 N 3.88 0.18 3.78 9.45 0.00 -1.26 -4.92 105.19 116.31 2d9h n GLY 7 Ca 0.15 0.49 -0.35 0.00 0.00 0.00 0.00 46.02 46.30 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 0.46 3.92 -0.05 0.99 1.43 -0.81 -4.89 118.68 119.73 2d9h s LEU 8 Ca 0.69 2.10 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 2d9h s LEU 8 Cb -0.77 -4.42 0.03 0.00 0.03 0.00 0.00 46.19 41.05 2d9h s LEU 8 CO 0.53 -0.87 -0.00 -1.58 0.23 0.00 0.00 176.35 174.66 2d9h s GLN 9 N -2.98 0.54 0.49 1.70 0.74 -1.26 -1.08 119.66 117.80 2d9h s GLN 9 Ca 0.66 0.08 -0.21 0.00 0.05 0.00 0.00 55.36 55.93 2d9h s GLN 9 Cb -0.22 -0.80 -0.07 0.00 1.10 0.00 0.00 33.01 33.01 2d9h s GLN 9 CO 0.26 -0.22 1.10 0.00 -0.55 0.00 0.00 175.29 175.88 2d9h n GLU 11 N -0.83 0.68 -0.03 0.00 0.28 -1.26 -2.80 120.64 116.67 2d9h n GLU 11 Ca 0.09 0.05 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 2d9h n GLU 11 Cb 0.51 -1.53 -0.10 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 -1.98 -3.35 117.51 121.05 2d9h h ILE 12 Ca -0.55 0.00 -0.20 0.00 -0.12 0.00 0.00 64.86 63.99 2d9h h ILE 12 Cb 2.14 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.89 2d9h h ILE 12 CO -0.00 0.00 -1.78 0.00 -0.68 0.00 0.00 178.15 175.69 2d9h n GLY 14 N 2.74 1.18 3.97 0.00 0.00 -1.12 -5.08 105.19 106.88 2d9h n GLY 14 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 1.72 -0.09 1.61 5.36 -1.22 -4.76 117.98 118.60 2d9h s PHE 15 Ca 0.00 -0.08 -0.06 0.00 -0.96 0.00 0.00 56.93 55.83 2d9h s PHE 15 Cb 0.00 -3.26 0.04 0.00 -0.34 0.00 0.00 43.02 39.46 2d9h s PHE 15 CO 0.00 -1.88 0.23 0.95 -1.46 0.00 0.00 175.22 173.05 2d9h s THR 16 N -3.31 -0.03 -0.06 0.12 -4.23 -1.26 0.71 115.64 107.58 2d9h s THR 16 Ca 0.67 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 2d9h s THR 16 Cb -0.05 -0.34 0.02 0.00 1.34 0.00 0.00 72.50 73.46 2d9h s THR 16 CO 0.46 0.04 0.16 0.00 -0.54 0.00 0.00 174.62 174.74 2d9h h ARG 18 N 6.19 -0.61 -6.81 0.00 -0.00 -1.95 -2.14 114.38 109.05 2d9h h ARG 18 Ca -0.29 0.04 -0.51 0.00 -0.50 0.00 0.00 59.98 58.72 2d9h h ARG 18 Cb 1.19 0.14 0.03 0.00 0.00 0.00 0.00 29.97 31.33 2d9h h ARG 18 CO 0.41 -0.34 0.54 -0.65 0.00 0.00 0.00 179.97 179.93 2d9h s GLN 19 N -4.04 4.52 0.01 0.04 -1.52 -1.26 -4.54 119.66 112.88 2d9h s GLN 19 Ca -0.12 1.96 -0.25 0.00 -1.95 0.00 0.00 55.36 55.00 2d9h s GLN 19 Cb 0.01 -3.16 -0.15 0.00 -0.22 0.00 0.00 33.01 29.49 2d9h s GLN 19 CO 0.38 0.04 1.16 0.87 -0.25 0.00 0.00 175.29 177.49 2d9h h LYS 20 N 3.86 -0.61 -1.00 2.91 6.56 -2.01 -3.17 116.57 123.11 2d9h h LYS 20 Ca -0.47 0.04 0.17 0.00 -1.06 0.00 0.00 60.65 59.33 2d9h h LYS 20 Cb 1.22 0.14 -0.17 0.00 -0.57 0.00 0.00 32.23 32.84 2d9h h LYS 20 CO 0.67 -0.30 -0.34 0.00 -2.06 0.00 0.00 179.45 177.42 2d9h n ALA 21 N -2.57 -0.00 -0.22 3.86 0.00 -1.26 0.50 120.51 120.81 2d9h n ALA 21 Ca -0.10 1.03 0.03 0.00 0.00 0.00 0.00 53.44 54.40 2d9h n ALA 21 Cb 0.30 -0.52 0.14 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.09 0.19 0.00 0.02 -1.97 -1.75 113.55 109.96 2d9h h SER 22 Ca 0.39 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.50 2d9h h SER 22 Cb 0.64 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2d9h h SER 22 CO -1.01 -0.05 -0.32 0.25 -1.14 0.00 0.00 176.83 174.56 2d9h h LEU 23 N 0.22 -0.91 -0.91 5.07 5.85 0.08 -0.97 115.31 123.73 2d9h h LEU 23 Ca 0.36 0.10 0.23 0.00 0.84 0.00 0.00 57.88 59.41 2d9h h LEU 23 Cb 0.60 0.33 -0.13 0.00 0.37 0.00 0.00 40.66 41.83 2d9h h LEU 23 CO -0.50 -0.43 0.42 0.78 -0.34 0.00 0.00 178.44 178.38 2d9h h ASN 24 N -0.59 0.36 0.60 1.25 2.35 -0.81 0.90 115.58 119.64 2d9h h ASN 24 Ca 0.01 0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 2d9h h ASN 24 Cb 0.59 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2d9h h ASN 24 CO -0.14 -0.01 -0.33 -0.25 -1.65 0.00 0.00 177.43 175.05 2d9h h TRP 25 N 0.40 0.00 0.00 1.19 2.91 -0.79 0.14 115.95 119.81 2d9h h TRP 25 Ca 0.58 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.60 2d9h h TRP 25 Cb 1.12 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 2d9h h TRP 25 CO -0.12 0.33 -0.52 1.25 -1.03 0.00 0.00 178.44 178.35 2d9h h HIS 26 N 0.00 0.00 0.12 2.65 2.76 0.19 -3.34 115.15 117.54 2d9h h HIS 26 Ca -0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.80 2d9h h HIS 26 Cb 0.72 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 2d9h h HIS 26 CO 0.00 0.00 -1.99 1.04 -1.30 0.00 0.00 177.93 175.68 2d9h n GLN 27 N -2.78 0.75 -0.30 5.26 1.13 0.11 -4.14 117.38 117.40 2d9h n GLN 27 Ca 0.02 0.27 0.14 0.00 -1.94 0.00 0.00 57.00 55.49 2d9h n GLN 27 Cb 0.53 -1.71 0.39 0.00 0.11 0.00 0.00 30.24 29.57 2d9h n GLN 27 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2d9h h ARG 28 N 0.04 0.62 -0.75 -1.09 0.11 -1.11 0.08 114.38 112.29 2d9h h ARG 28 Ca -0.43 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.60 2d9h h ARG 28 Cb 2.01 -0.14 -0.04 0.00 1.11 0.00 0.00 29.97 32.92 2d9h h ARG 28 CO 0.08 0.41 0.40 1.57 0.10 0.00 0.00 179.97 182.53 2d9h h LYS 29 N 0.64 1.04 -0.71 0.08 2.10 -1.72 -2.68 116.57 115.32 2d9h h LYS 29 Ca 0.50 -0.12 0.12 0.00 -2.00 0.00 0.00 60.65 59.15 2d9h h LYS 29 Cb 0.92 -0.20 -0.08 0.00 -0.90 0.00 0.00 32.23 31.97 2d9h h LYS 29 CO -0.26 0.78 0.30 0.45 -2.00 0.00 0.00 179.45 178.72 2d9h h HIS 30 N 1.03 0.52 -0.93 0.07 3.86 -1.13 0.15 115.15 118.72 2d9h h HIS 30 Ca 0.26 0.03 0.27 0.00 -1.16 0.00 0.00 60.37 59.77 2d9h h HIS 30 Cb 0.04 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 2d9h h HIS 30 CO -0.00 0.12 0.76 0.00 0.86 0.00 0.00 177.93 179.66 2d9h h ALA 31 N 1.49 2.81 0.05 2.45 0.00 -1.38 0.23 119.26 124.89 2d9h h ALA 31 Ca 0.37 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.88 2d9h h ALA 31 Cb 0.50 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2d9h h ALA 31 CO -0.34 -1.23 -2.16 0.39 0.00 0.00 0.00 179.25 175.90 2d9h n GLU 32 N -3.97 0.67 -0.29 0.00 -0.58 0.31 -4.38 120.64 112.41 2d9h n GLU 32 Ca 0.19 0.26 -0.01 0.00 -0.42 0.00 0.00 57.16 57.19 2d9h n GLU 32 Cb 1.07 -1.61 0.11 0.00 -0.57 0.00 0.00 31.44 30.44 2d9h n GLU 32 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2d9h h THR 33 N -0.25 1.07 -1.42 2.62 2.02 0.44 -2.20 112.91 115.20 2d9h h THR 33 Ca -0.51 -0.32 0.46 0.00 0.77 0.00 0.00 66.41 66.80 2d9h h THR 33 Cb 1.83 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 68.19 2d9h h THR 33 CO -0.09 0.17 0.96 1.33 0.37 0.00 0.00 175.52 178.26 2d9h n VAL 34 N -4.63 -0.15 -0.32 3.16 0.24 0.66 -0.00 118.33 117.28 2d9h n VAL 34 Ca 0.10 1.53 0.24 0.00 -2.04 0.00 0.00 64.34 64.17 2d9h n VAL 34 Cb 0.13 -2.52 0.45 0.00 -1.47 0.00 0.00 33.84 30.43 2d9h n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d9h n ALA 35 N -2.63 0.78 0.01 2.33 0.00 -0.83 -1.18 120.51 119.00 2d9h n ALA 35 Ca 0.38 1.01 -0.03 0.00 0.00 0.00 0.00 53.44 54.79 2d9h n ALA 35 Cb 1.55 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 2d9h n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d9h h ALA 36 N 1.94 -0.60 -1.98 0.00 0.00 -0.67 -3.40 119.26 114.53 2d9h h ALA 36 Ca 0.72 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.98 2d9h h ALA 36 Cb 1.76 0.58 0.04 0.00 0.00 0.00 0.00 17.79 20.16 2d9h h ALA 36 CO -0.82 -0.64 0.83 1.28 0.00 0.00 0.00 179.25 179.90 2d9h n LEU 37 N -3.08 2.81 -0.01 0.00 7.99 -0.33 -4.52 117.00 119.86 2d9h n LEU 37 Ca -0.02 1.06 -0.01 0.00 -0.01 0.00 0.00 56.01 57.03 2d9h n LEU 37 Cb 0.08 -1.32 -0.02 0.00 -0.11 0.00 0.00 43.42 42.05 2d9h n LEU 37 CO 0.03 -0.39 -0.57 0.54 -1.51 0.00 0.00 177.39 175.48 2d9h n ARG 38 N 4.43 3.19 -3.26 3.23 3.00 -0.03 -4.78 116.66 122.44 2d9h n ARG 38 Ca 0.20 0.00 -0.45 0.00 -0.01 0.00 0.00 57.85 57.59 2d9h n ARG 38 Cb 0.25 -1.05 -0.06 0.00 0.00 0.00 0.00 32.46 31.60 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 -2.05 3.16 1.05 -1.55 0.40 -0.95 -4.94 117.98 113.11 2d9h s PHE 39 Ca -0.01 -1.03 -0.14 0.00 -0.60 0.00 0.00 56.93 55.15 2d9h s PHE 39 Cb 0.01 -3.67 0.22 0.00 0.51 0.00 0.00 43.02 40.09 2d9h s PHE 39 CO 0.08 -1.03 1.10 -1.25 0.70 0.00 0.00 175.22 174.81 2d9h s PRO 40 N 2.01 -0.03 -0.37 0.24 0.04 -1.26 -1.71 135.00 133.91 2d9h s PRO 40 Ca 0.07 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.36 2d9h s PRO 40 Cb -0.26 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2d9h s PRO 40 CO 0.06 -3.00 0.20 0.00 0.04 0.00 0.00 177.00 174.30 2d9h n GLU 42 N 4.98 0.42 -0.09 0.00 0.28 -1.26 0.60 120.64 125.58 2d9h n GLU 42 Ca -0.12 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.76 2d9h n GLU 42 Cb 0.46 -1.43 -0.04 0.00 1.43 0.00 0.00 31.44 31.85 2d9h n GLU 42 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2d9h n PHE 43 N -0.93 0.40 -0.05 -1.84 3.72 -1.26 -4.82 117.46 112.68 2d9h n PHE 43 Ca 0.09 0.17 -0.05 0.00 -0.05 0.00 0.00 57.45 57.61 2d9h n PHE 43 Cb 0.04 -0.72 -0.06 0.00 -0.94 0.00 0.00 39.48 37.80 2d9h n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d9h n GLY 45 N 2.67 1.33 2.94 0.00 0.00 0.20 -5.00 105.19 107.32 2d9h n GLY 45 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.15 -3.81 1.61 5.02 -1.26 -3.94 118.16 113.63 2d9h n LYS 46 Ca 0.00 -0.86 -0.12 0.00 -2.02 0.00 0.00 58.31 55.30 2d9h n LYS 46 Cb 0.00 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.39 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 -3.81 0.35 0.10 1.97 0.52 -1.26 0.17 118.95 116.99 2d9h s ARG 47 Ca 0.40 0.08 0.05 0.00 -0.52 0.00 0.00 55.73 55.73 2d9h s ARG 47 Cb -0.07 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.53 2d9h s ARG 47 CO 0.33 -0.07 -0.12 -0.06 0.02 0.00 0.00 175.30 175.41 2d9h s PHE 48 N -0.40 1.18 0.61 -0.53 0.40 -0.70 -4.83 117.98 113.71 2d9h s PHE 48 Ca -0.05 -0.58 0.43 0.00 -0.60 0.00 0.00 56.93 56.13 2d9h s PHE 48 Cb -0.03 -0.64 2.32 0.00 0.51 0.00 0.00 43.02 45.17 2d9h s PHE 48 CO 0.01 0.05 2.34 1.05 0.70 0.00 0.00 175.22 179.37 2d9h h GLU 49 N 3.73 0.00 -3.33 0.44 4.11 -1.88 0.07 114.58 117.72 2d9h h GLU 49 Ca -0.39 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.02 2d9h h GLU 49 Cb 1.19 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 2d9h h GLU 49 CO 0.49 0.00 0.02 -1.59 0.07 0.00 0.00 179.01 178.00 2d9h s LYS 50 N -4.12 1.39 0.08 1.06 -2.85 -1.26 -4.44 119.74 109.60 2d9h s LYS 50 Ca -0.04 -0.90 -0.17 0.00 -1.00 0.00 0.00 55.97 53.86 2d9h s LYS 50 Cb 0.13 0.52 -0.10 0.00 -2.06 0.00 0.00 37.83 36.31 2d9h s LYS 50 CO 0.43 -0.59 1.40 -1.00 0.10 0.00 0.00 175.35 175.69 2d9h h PRO 51 N 2.21 0.58 -1.20 1.78 0.13 -1.90 -3.09 132.00 130.50 2d9h h PRO 51 Ca -0.28 -0.31 0.41 0.00 -0.87 0.00 0.00 66.00 64.95 2d9h h PRO 51 Cb 1.26 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 2d9h h PRO 51 CO 0.37 0.90 0.74 0.22 -0.23 0.00 0.00 178.00 180.00 2d9h h ASP 52 N 0.29 0.30 0.92 1.44 1.82 -1.99 1.57 116.42 120.77 2d9h h ASP 52 Ca 0.04 0.17 -0.22 0.00 -0.39 0.00 0.00 57.03 56.63 2d9h h ASP 52 Cb 0.79 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.92 2d9h h ASP 52 CO 0.06 -0.22 -1.12 0.28 -1.61 0.00 0.00 179.24 176.63 2d9h h SER 53 N 0.11 0.00 0.26 2.28 0.02 -1.97 -3.20 113.55 111.05 2d9h h SER 53 Ca 0.81 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.63 2d9h h SER 53 Cb 2.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.88 2d9h h SER 53 CO -0.52 0.98 -0.51 0.58 -1.14 0.00 0.00 176.83 176.22 2d9h h VAL 54 N 0.00 1.35 -0.29 2.27 2.07 0.22 -1.30 116.25 120.56 2d9h h VAL 54 Ca -0.06 -1.75 -0.18 0.00 0.82 0.00 0.00 66.70 65.53 2d9h h VAL 54 Cb 1.80 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2d9h h VAL 54 CO 0.12 0.52 -0.52 0.00 0.02 0.00 0.00 177.57 177.71 2d9h h ALA 55 N 1.25 0.51 -0.15 1.67 0.00 -0.80 -3.12 119.26 118.62 2d9h h ALA 55 Ca 0.01 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2d9h h ALA 55 Cb 0.97 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2d9h h ALA 55 CO 0.08 0.68 -0.74 0.00 0.00 0.00 0.00 179.25 179.27 2d9h h ALA 56 N 0.74 0.40 -0.69 0.00 0.00 -1.53 -3.14 119.26 115.03 2d9h h ALA 56 Ca 0.02 -0.59 0.13 0.00 0.00 0.00 0.00 54.91 54.47 2d9h h ALA 56 Cb 1.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2d9h h ALA 56 CO 0.12 0.70 0.46 1.25 0.00 0.00 0.00 179.25 181.78 2d9h h HIS 57 N 0.49 0.45 0.00 0.00 -0.00 -1.24 0.34 115.15 115.19 2d9h h HIS 57 Ca -0.04 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2d9h h HIS 57 Cb 1.36 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 2d9h h HIS 57 CO 0.08 0.19 0.00 0.00 -0.00 0.00 0.00 177.93 178.19 2d9h h ARG 58 N 0.40 0.00 -0.01 5.26 3.08 -1.49 0.55 114.38 122.18 2d9h h ARG 58 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2d9h h ARG 58 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2d9h h ARG 58 CO -0.10 0.00 -0.43 0.45 -1.07 0.00 0.00 179.97 178.82 2d9h n SER 59 N -2.95 1.04 -0.01 7.04 2.88 0.12 -0.57 113.62 121.16 2d9h n SER 59 Ca 0.02 -0.83 -0.01 0.00 -1.33 0.00 0.00 58.87 56.72 2d9h n SER 59 Cb 0.37 0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 64.13 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 -0.87 3.18 -0.06 -1.46 5.02 -0.85 -4.34 118.16 118.79 2d9h n LYS 60 Ca 0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.32 2d9h n LYS 60 Cb 0.36 -1.05 -0.09 0.00 -0.02 0.00 0.00 35.03 34.23 2d9h n LYS 60 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2d9h n SER 61 N -2.14 2.17 -1.24 4.39 7.64 0.19 -4.60 113.62 120.03 2d9h n SER 61 Ca -0.03 -0.01 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 2d9h n SER 61 Cb 0.56 0.64 0.14 0.00 -1.01 0.00 0.00 64.21 64.54 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 -2.52 1.23 0.36 1.43 8.25 -0.73 -4.72 115.22 118.53 2d9h n HIS 62 Ca -0.21 -1.82 0.14 0.00 -0.26 0.00 0.00 57.72 55.57 2d9h n HIS 62 Cb 0.87 -0.37 0.56 0.00 1.12 0.00 0.00 29.99 32.17 2d9h n HIS 62 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2d9h h PRO 63 N 1.44 0.00 0.00 -0.41 0.13 -1.03 -2.26 132.00 129.87 2d9h h PRO 63 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2d9h h PRO 63 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2d9h h PRO 63 CO 0.38 0.00 -0.72 0.00 -0.23 0.00 0.00 178.00 177.43 2d9h n ALA 64 N -1.87 3.56 -0.11 -0.56 0.00 -1.26 -4.19 120.51 116.08 2d9h n ALA 64 Ca 0.02 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 2d9h n ALA 64 Cb 0.24 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.71 1.92 -0.35 0.00 4.77 -0.90 -4.49 117.00 116.24 2d9h n LEU 65 Ca 0.04 0.39 0.04 0.00 -0.03 0.00 0.00 56.01 56.45 2d9h n LEU 65 Cb 0.38 -0.85 0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2d9h n LEU 65 CO 0.38 0.24 0.65 -0.07 -1.33 0.00 0.00 177.39 177.26 2d9h h LEU 66 N -1.00 -1.01 -9.84 2.23 3.38 -1.63 -3.41 115.31 104.03 2d9h h LEU 66 Ca -0.42 0.29 -0.38 0.00 0.09 0.00 0.00 57.88 57.46 2d9h h LEU 66 Cb 1.31 0.63 0.21 0.00 0.09 0.00 0.00 40.66 42.90 2d9h h LEU 66 CO -0.25 -0.31 -0.28 0.18 0.09 0.00 0.00 178.44 177.86 2d9h n LEU 67 N -5.58 -1.35 -4.68 1.67 4.77 -1.26 -4.90 117.00 105.67 2d9h n LEU 67 Ca 0.14 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 2d9h n LEU 67 Cb 0.46 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 2d9h n LEU 67 CO -0.11 -3.77 0.99 0.00 -1.33 0.00 0.00 177.39 173.17 2d9h s ALA 68 N -2.22 3.52 1.11 -1.18 0.00 -1.26 -5.03 121.76 116.70 2d9h s ALA 68 Ca 0.62 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 2d9h s ALA 68 Cb -0.16 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.55 2d9h s ALA 68 CO 0.58 -0.83 0.48 -0.35 0.00 0.00 0.00 175.76 175.65 2d9h n PRO 69 N 5.36 -1.95 -3.76 0.00 -0.04 -1.26 -5.02 135.00 128.33 2d9h n PRO 69 Ca 0.12 -0.76 -0.38 0.00 -0.04 0.00 0.00 63.50 62.43 2d9h n PRO 69 Cb 0.46 -0.72 -0.12 0.00 -0.04 0.00 0.00 33.50 33.08 2d9h n PRO 69 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2d9h s GLN 70 N -4.08 2.71 -0.07 0.54 0.74 -1.26 -5.07 119.66 113.17 2d9h s GLN 70 Ca 0.31 -1.11 -0.03 0.00 0.05 0.00 0.00 55.36 54.58 2d9h s GLN 70 Cb -0.03 -3.43 0.04 0.00 1.10 0.00 0.00 33.01 30.69 2d9h s GLN 70 CO 0.24 -0.62 0.15 -2.00 -0.55 0.00 0.00 175.29 172.51 2d9h s GLU 71 N 1.42 0.07 0.23 1.67 2.12 -1.26 -5.04 118.70 117.91 2d9h s GLU 71 Ca -0.01 0.46 -0.07 0.00 0.36 0.00 0.00 54.97 55.71 2d9h s GLU 71 Cb -0.19 -0.22 0.39 0.00 0.26 0.00 0.00 34.13 34.38 2d9h s GLU 71 CO 0.03 -0.23 1.68 1.03 -0.54 0.00 0.00 175.26 177.23 2d9h h SER 72 N 7.72 -0.08 -4.75 -1.70 0.87 -2.07 -3.44 113.55 110.10 2d9h h SER 72 Ca -0.30 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2d9h h SER 72 Cb 1.13 0.22 -0.18 0.00 -0.44 0.00 0.00 62.40 63.13 2d9h h SER 72 CO 0.30 -0.06 0.32 -0.94 -0.53 0.00 0.00 176.83 175.93 2d9h s SER 73 N -5.24 -0.53 -0.21 6.23 1.04 -1.26 -5.15 113.70 108.58 2d9h s SER 73 Ca -0.13 0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 2d9h s SER 73 Cb 0.20 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 2d9h s SER 73 CO 0.75 -0.63 -0.07 -0.83 0.98 0.00 0.00 173.24 173.44 2d9h s GLY 74 N -1.71 1.58 1.25 7.32 0.00 -1.26 -5.11 107.32 109.38 2d9h s GLY 74 Ca -0.04 -1.14 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 2d9h s GLY 74 CO 0.00 0.34 1.12 2.56 0.00 0.00 0.00 173.10 177.12 2d9h s PRO 75 N 1.33 -1.62 0.24 2.90 0.04 -1.26 -5.10 135.00 131.53 2d9h s PRO 75 Ca 0.04 -0.21 -0.10 0.00 0.04 0.00 0.00 61.00 60.76 2d9h s PRO 75 Cb -0.14 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 2d9h s PRO 75 CO -0.04 -3.94 0.42 -1.54 0.04 0.00 0.00 177.00 171.94 2d9h s SER 76 N -4.01 -0.01 -0.20 6.66 1.04 -1.26 -5.08 113.70 110.83 2d9h s SER 76 Ca 0.72 -1.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 2d9h s SER 76 Cb -0.07 0.56 -0.20 0.00 0.10 0.00 0.00 66.02 66.41 2d9h s SER 76 CO 0.56 -1.10 0.04 -1.54 0.98 0.00 0.00 173.24 172.18 2d9h n SER 77 N -0.41 2.01 -0.88 7.02 3.41 -1.26 -5.37 113.62 118.13 2d9h n SER 77 Ca -0.01 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2d9h n SER 77 Cb 0.63 -0.75 0.17 0.00 -0.26 0.00 0.00 64.21 64.00 2d9h n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49