#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l7h h GLU 6 N 0.00 0.09 -0.12 5.55 9.09 -2.05 -2.13 114.58 125.01 3l7h h GLU 6 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 3l7h h GLU 6 Cb 0.00 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.07 3l7h h GLU 6 CO 0.00 0.06 0.05 0.93 0.05 0.00 0.00 179.01 180.10 3l7h h GLU 7 N 0.09 0.17 -0.25 1.06 3.07 -2.06 -2.88 114.58 113.79 3l7h h GLU 7 Ca 0.57 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 59.23 3l7h h GLU 7 Cb 1.19 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3l7h h GLU 7 CO -0.78 0.25 -0.55 1.15 -1.40 0.00 0.00 179.01 177.67 3l7h h THR 8 N 0.06 1.28 0.17 1.13 2.02 -1.86 -3.36 112.91 112.35 3l7h h THR 8 Ca 0.04 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.47 3l7h h THR 8 Cb 0.13 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3l7h h THR 8 CO -0.00 0.56 -0.08 0.25 0.37 0.00 0.00 175.52 176.62 3l7h h LEU 9 N 0.58 -0.19 -0.92 2.58 5.85 -1.22 -1.06 115.31 120.92 3l7h h LEU 9 Ca 0.00 0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.95 3l7h h LEU 9 Cb 1.16 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 42.12 3l7h h LEU 9 CO 0.12 -0.10 0.46 0.50 -0.34 0.00 0.00 178.44 179.08 3l7h h LYS 10 N -0.30 0.46 -0.44 1.25 3.64 -1.76 0.40 116.57 119.82 3l7h h LYS 10 Ca -0.02 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3l7h h LYS 10 Cb 0.18 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3l7h h LYS 10 CO 0.04 0.31 0.24 -0.09 -2.27 0.00 0.00 179.45 177.67 3l7h h ARG 11 N 0.48 0.46 -0.43 1.90 2.43 -1.68 -1.28 114.38 116.25 3l7h h ARG 11 Ca 0.58 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.67 3l7h h ARG 11 Cb 1.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3l7h h ARG 11 CO -0.50 0.30 0.11 0.82 -1.51 0.00 0.00 179.97 179.19 3l7h h ILE 12 N 0.47 1.23 0.00 1.20 2.04 0.10 -2.80 117.51 119.76 3l7h h ILE 12 Ca 0.19 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3l7h h ILE 12 Cb 0.07 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3l7h h ILE 12 CO -0.12 0.28 -0.12 1.56 0.00 0.00 0.00 178.15 179.76 3l7h h GLN 13 N 0.57 0.00 -0.01 2.37 4.20 -0.61 -1.85 115.11 119.78 3l7h h GLN 13 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3l7h h GLN 13 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3l7h h GLN 13 CO 0.00 0.12 -0.07 -1.13 -0.67 0.00 0.00 178.83 177.08 3l7h n SER 14 N -3.25 0.83 -4.72 1.46 3.41 -0.50 -4.83 113.62 106.02 3l7h n SER 14 Ca 0.01 -1.02 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 3l7h n SER 14 Cb 0.38 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3l7h n SER 14 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3l7h s HIS 15 N -2.23 3.69 0.17 7.33 5.04 -0.70 -5.01 115.29 123.59 3l7h s HIS 15 Ca 0.35 1.69 -0.33 0.00 -1.54 0.00 0.00 55.06 55.23 3l7h s HIS 15 Cb 0.21 -3.15 -0.16 0.00 0.04 0.00 0.00 32.58 29.52 3l7h s HIS 15 CO 0.41 -0.13 1.11 1.63 -2.34 0.00 0.00 174.74 175.42 3l7h n LYS 16 N 3.25 1.03 0.00 2.88 5.02 -1.26 -1.79 118.16 127.28 3l7h n LYS 16 Ca 0.04 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3l7h n LYS 16 Cb 0.49 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3l7h n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3l7h n GLY 17 N 1.94 3.09 3.68 0.72 0.00 -1.26 -4.95 105.19 108.40 3l7h n GLY 17 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3l7h n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3l7h s VAL 18 N -1.49 3.41 -0.22 1.61 1.01 -0.74 -0.65 120.40 123.33 3l7h s VAL 18 Ca 0.00 0.75 0.10 0.00 0.00 0.00 0.00 61.98 62.83 3l7h s VAL 18 Cb 0.00 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 3l7h s VAL 18 CO 0.00 -0.02 0.31 1.33 0.00 0.00 0.00 175.10 176.72 3l7h n VAL 19 N 4.93 0.00 -3.50 2.92 0.24 0.13 -4.95 118.33 118.09 3l7h n VAL 19 Ca 0.15 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.08 3l7h n VAL 19 Cb 0.42 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 33.36 3l7h n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3l7h s GLY 20 N -2.59 -0.49 -0.06 7.63 0.00 -1.08 -5.00 107.32 105.74 3l7h s GLY 20 Ca -0.00 1.17 -0.14 0.00 0.00 0.00 0.00 44.72 45.74 3l7h s GLY 20 CO 0.41 0.59 0.34 -1.59 0.00 0.00 0.00 173.10 172.85 3l7h s THR 21 N -2.40 0.03 -0.10 0.90 2.01 -1.26 -1.06 115.64 113.76 3l7h s THR 21 Ca -0.01 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 3l7h s THR 21 Cb -0.01 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.96 3l7h s THR 21 CO -0.03 -0.15 0.26 -0.63 -0.69 0.00 0.00 174.62 173.38 3l7h s ILE 22 N -0.73 -0.01 -0.13 1.82 1.01 -0.21 -2.04 121.20 120.91 3l7h s ILE 22 Ca -0.08 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.63 3l7h s ILE 22 Cb -0.04 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 3l7h s ILE 22 CO 0.03 0.02 -0.15 -0.69 0.00 0.00 0.00 174.94 174.15 3l7h s VAL 23 N 0.57 2.86 -0.04 2.92 1.01 0.44 -0.80 120.40 127.36 3l7h s VAL 23 Ca -0.04 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.29 3l7h s VAL 23 Cb -0.05 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3l7h s VAL 23 CO -0.03 0.53 -0.25 -0.69 0.00 0.00 0.00 175.10 174.66 3l7h s VAL 24 N 0.39 2.10 0.94 2.92 1.01 -0.17 0.31 120.40 127.89 3l7h s VAL 24 Ca -0.12 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.65 3l7h s VAL 24 Cb -0.16 -1.74 0.20 0.00 0.00 0.00 0.00 36.38 34.67 3l7h s VAL 24 CO 0.06 0.58 1.29 0.54 0.00 0.00 0.00 175.10 177.56 3l7h s ASN 25 N -0.41 3.22 0.42 3.32 2.20 0.09 -0.83 114.94 122.94 3l7h s ASN 25 Ca 0.04 0.17 0.29 0.00 -0.94 0.00 0.00 52.86 52.42 3l7h s ASN 25 Cb -0.12 -0.23 1.43 0.00 -2.00 0.00 0.00 41.25 40.33 3l7h s ASN 25 CO 0.01 -2.66 1.89 -0.55 -2.94 0.00 0.00 177.10 172.85 3l7h h ASN 26 N -1.53 0.00 0.24 3.54 -1.07 -1.86 -1.17 115.58 113.73 3l7h h ASN 26 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 3l7h h ASN 26 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 3l7h h ASN 26 CO 0.37 0.00 -0.30 -0.62 0.07 0.00 0.00 177.43 176.95 3l7h n GLU 27 N -2.58 0.79 -0.46 4.14 1.02 -1.26 -4.94 120.64 117.35 3l7h n GLU 27 Ca -0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 3l7h n GLU 27 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3l7h n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3l7h n GLY 28 N 1.36 0.77 3.79 0.62 0.00 -0.44 -5.06 105.19 106.22 3l7h n GLY 28 Ca 0.11 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3l7h n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3l7h s ILE 29 N -2.00 4.99 0.28 -0.61 -1.09 -1.26 -4.80 121.20 116.71 3l7h s ILE 29 Ca 0.00 1.02 -0.30 0.00 -2.23 0.00 0.00 60.65 59.15 3l7h s ILE 29 Cb 0.00 -3.82 -0.10 0.00 -1.58 0.00 0.00 42.46 36.96 3l7h s ILE 29 CO 0.00 0.48 1.44 -2.84 -1.23 0.00 0.00 174.94 172.79 3l7h s PRO 30 N -0.45 4.24 -0.13 2.79 0.02 -1.26 -0.74 135.00 139.47 3l7h s PRO 30 Ca 0.27 2.35 0.02 0.00 0.02 0.00 0.00 61.00 63.66 3l7h s PRO 30 Cb -0.17 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.18 3l7h s PRO 30 CO 0.14 -0.42 -0.10 0.28 -0.33 0.00 0.00 177.00 176.57 3l7h n VAL 31 N 1.87 0.77 -3.87 3.83 0.31 0.15 -4.85 118.33 116.53 3l7h n VAL 31 Ca 0.05 -0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 63.95 3l7h n VAL 31 Cb 0.40 -0.95 -0.13 0.00 -0.91 0.00 0.00 33.84 32.25 3l7h n VAL 31 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3l7h s LYS 32 N -2.27 0.16 -0.24 5.55 -0.14 -1.13 -4.99 119.74 116.69 3l7h s LYS 32 Ca -0.17 -0.09 -0.19 0.00 -1.36 0.00 0.00 55.97 54.17 3l7h s LYS 32 Cb 0.05 0.07 0.07 0.00 -1.68 0.00 0.00 37.83 36.33 3l7h s LYS 32 CO 0.33 -0.03 0.62 0.45 -0.76 0.00 0.00 175.35 175.96 3l7h s SER 33 N -0.39 -0.72 0.00 2.83 0.15 -1.26 -0.42 113.70 113.89 3l7h s SER 33 Ca -0.04 1.29 0.29 0.00 0.70 0.00 0.00 55.95 58.18 3l7h s SER 33 Cb -0.03 1.25 1.24 0.00 -1.71 0.00 0.00 66.02 66.78 3l7h s SER 33 CO 0.00 -0.22 1.87 0.35 1.20 0.00 0.00 173.24 176.44 3l7h n THR 34 N 3.35 0.00 -3.68 6.45 -2.24 -0.86 -4.90 114.28 112.40 3l7h n THR 34 Ca -0.17 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 3l7h n THR 34 Cb 0.57 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 3l7h n THR 34 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3l7h s LEU 35 N -2.50 3.61 0.69 3.22 1.43 -1.26 -4.97 118.68 118.91 3l7h s LEU 35 Ca 0.28 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 3l7h s LEU 35 Cb 0.20 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3l7h s LEU 35 CO 0.48 -0.44 1.18 1.51 0.23 0.00 0.00 176.35 179.30 3l7h s ASP 36 N -4.06 4.59 0.21 2.29 1.47 -1.26 -4.69 116.67 115.21 3l7h s ASP 36 Ca 0.43 2.25 -0.10 0.00 1.18 0.00 0.00 52.55 56.32 3l7h s ASP 36 Cb -0.06 -2.58 0.28 0.00 -0.34 0.00 0.00 42.92 40.22 3l7h s ASP 36 CO 0.28 -1.99 1.73 -1.13 0.68 0.00 0.00 175.17 174.73 3l7h h ASN 37 N -0.05 0.14 -0.89 2.11 -1.24 -1.98 0.06 115.58 113.72 3l7h h ASN 37 Ca -0.48 0.09 0.02 0.00 0.71 0.00 0.00 56.30 56.64 3l7h h ASN 37 Cb 1.28 0.09 -0.05 0.00 0.73 0.00 0.00 38.32 40.38 3l7h h ASN 37 CO 0.52 0.09 0.59 0.74 -1.29 0.00 0.00 177.43 178.07 3l7h h THR 38 N 0.35 1.20 0.01 -3.57 2.02 -2.00 -1.27 112.91 109.65 3l7h h THR 38 Ca 0.31 -0.40 -0.26 0.00 0.77 0.00 0.00 66.41 66.82 3l7h h THR 38 Cb 0.41 -0.08 0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3l7h h THR 38 CO -0.34 0.21 -1.05 0.74 0.37 0.00 0.00 175.52 175.46 3l7h h THR 39 N 1.17 1.31 0.14 3.16 2.02 -1.56 -3.08 112.91 116.08 3l7h h THR 39 Ca 0.34 -2.32 0.02 0.00 0.77 0.00 0.00 66.41 65.21 3l7h h THR 39 Cb -0.08 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 3l7h h THR 39 CO -0.08 0.71 -0.28 0.74 0.37 0.00 0.00 175.52 176.97 3l7h h THR 40 N 0.34 0.38 -0.76 3.16 2.02 -0.45 -1.37 112.91 116.24 3l7h h THR 40 Ca -0.13 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.23 3l7h h THR 40 Cb 1.70 0.38 -0.12 0.00 -1.74 0.00 0.00 68.15 68.38 3l7h h THR 40 CO 0.20 0.00 0.17 0.58 0.37 0.00 0.00 175.52 176.84 3l7h h VAL 41 N -0.52 0.47 0.35 3.16 2.07 -1.32 0.23 116.25 120.69 3l7h h VAL 41 Ca 0.02 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3l7h h VAL 41 Cb 0.53 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3l7h h VAL 41 CO -0.15 0.05 -0.17 -0.61 0.02 0.00 0.00 177.57 176.71 3l7h h GLN 42 N 0.25 -0.45 0.01 1.57 4.15 -1.25 -1.31 115.11 118.07 3l7h h GLN 42 Ca 0.44 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.89 3l7h h GLN 42 Cb 0.77 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3l7h h GLN 42 CO -0.55 -0.25 -0.00 1.88 -1.93 0.00 0.00 178.83 177.98 3l7h h TYR 43 N -0.55 -0.01 -0.39 3.99 0.05 -1.02 -1.13 116.97 117.92 3l7h h TYR 43 Ca -0.05 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.80 3l7h h TYR 43 Cb 0.41 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.09 3l7h h TYR 43 CO -0.03 0.15 -0.01 0.00 -1.05 0.00 0.00 178.16 177.22 3l7h h ALA 44 N 0.83 0.35 -0.04 3.88 0.00 -1.00 0.26 119.26 123.55 3l7h h ALA 44 Ca -0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3l7h h ALA 44 Cb 0.16 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3l7h h ALA 44 CO 0.00 -0.40 -0.28 0.78 0.00 0.00 0.00 179.25 179.35 3l7h h GLY 45 N 0.09 0.29 0.97 0.00 0.00 -1.08 -1.46 103.07 101.88 3l7h h GLY 45 Ca 0.19 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3l7h h GLY 45 CO -0.33 0.38 0.11 1.41 0.00 0.00 0.00 176.54 178.11 3l7h h LEU 46 N -0.30 0.22 -0.98 3.11 3.38 -1.15 -1.12 115.31 118.47 3l7h h LEU 46 Ca -0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3l7h h LEU 46 Cb 0.97 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3l7h h LEU 46 CO 0.06 0.21 0.18 0.24 0.09 0.00 0.00 178.44 179.22 3l7h h MET 47 N 0.22 0.92 -0.81 1.13 2.86 -0.53 -1.92 114.93 116.81 3l7h h MET 47 Ca 0.07 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3l7h h MET 47 Cb 0.03 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 3l7h h MET 47 CO -0.01 0.80 0.52 0.77 1.06 0.00 0.00 176.91 180.05 3l7h h SER 48 N 0.89 0.94 0.10 1.22 0.02 -1.14 0.43 113.55 116.01 3l7h h SER 48 Ca 0.20 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3l7h h SER 48 Cb 0.27 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3l7h h SER 48 CO -0.01 0.69 -0.14 1.56 -1.14 0.00 0.00 176.83 177.79 3l7h h GLN 49 N 1.10 -0.28 -0.18 3.45 4.20 -0.91 -1.48 115.11 121.01 3l7h h GLN 49 Ca 0.29 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.05 3l7h h GLN 49 Cb -0.11 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3l7h h GLN 49 CO -0.06 -0.18 -0.02 1.25 -0.67 0.00 0.00 178.83 179.15 3l7h h LEU 50 N -0.29 -0.11 -0.42 1.46 5.85 -1.08 -2.14 115.31 118.58 3l7h h LEU 50 Ca 0.02 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3l7h h LEU 50 Cb 0.30 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3l7h h LEU 50 CO -0.07 -0.03 0.08 0.00 -0.34 0.00 0.00 178.44 178.08 3l7h h ALA 51 N 1.16 0.45 -0.59 1.25 0.00 -0.89 0.11 119.26 120.75 3l7h h ALA 51 Ca 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3l7h h ALA 51 Cb 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3l7h h ALA 51 CO -0.16 -0.32 0.27 0.22 0.00 0.00 0.00 179.25 179.26 3l7h h ASP 52 N 0.21 0.75 -0.05 0.00 3.58 -1.14 0.13 116.42 119.89 3l7h h ASP 52 Ca 0.20 -0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.38 3l7h h ASP 52 Cb 0.25 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.12 3l7h h ASP 52 CO -0.27 0.65 -0.73 0.50 -2.88 0.00 0.00 179.24 176.51 3l7h h LYS 53 N 0.83 0.59 -0.86 0.28 1.63 -0.77 -1.91 116.57 116.36 3l7h h LYS 53 Ca 0.20 -0.56 0.11 0.00 -0.85 0.00 0.00 60.65 59.55 3l7h h LYS 53 Cb 0.10 0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.80 3l7h h LYS 53 CO -0.03 1.18 0.49 0.00 -3.45 0.00 0.00 179.45 177.65 3l7h h ALA 54 N 0.42 1.24 -0.33 5.00 0.00 -0.37 -0.69 119.26 124.55 3l7h h ALA 54 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3l7h h ALA 54 Cb 1.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3l7h h ALA 54 CO 0.15 0.10 0.21 -0.09 0.00 0.00 0.00 179.25 179.61 3l7h h ARG 55 N 0.80 0.43 -0.48 0.00 2.43 -0.66 -1.05 114.38 115.86 3l7h h ARG 55 Ca 0.42 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3l7h h ARG 55 Cb 0.42 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3l7h h ARG 55 CO -0.26 0.31 0.11 0.77 -1.51 0.00 0.00 179.97 179.38 3l7h h SER 56 N 0.43 0.73 -0.24 -3.80 0.02 -1.10 -2.68 113.55 106.92 3l7h h SER 56 Ca 0.12 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3l7h h SER 56 Cb -0.03 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3l7h h SER 56 CO -0.02 0.78 0.04 0.58 -1.14 0.00 0.00 176.83 177.07 3l7h h VAL 57 N 0.66 0.88 -0.50 2.27 2.07 -0.93 0.19 116.25 120.89 3l7h h VAL 57 Ca 0.15 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.68 3l7h h VAL 57 Cb 0.34 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3l7h h VAL 57 CO 0.00 0.02 0.20 0.58 0.02 0.00 0.00 177.57 178.40 3l7h h VAL 58 N 0.13 0.88 -0.26 2.57 2.07 -1.06 -0.55 116.25 120.02 3l7h h VAL 58 Ca 0.11 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3l7h h VAL 58 Cb 0.12 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3l7h h VAL 58 CO -0.15 0.07 -0.34 0.03 0.02 0.00 0.00 177.57 177.20 3l7h h ARG 59 N 0.40 0.57 -0.51 1.57 2.47 -1.28 -1.84 114.38 115.77 3l7h h ARG 59 Ca 0.23 -0.26 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 3l7h h ARG 59 Cb 0.21 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3l7h h ARG 59 CO -0.21 0.84 0.15 -0.44 0.56 0.00 0.00 179.97 180.86 3l7h h ASP 60 N 0.49 0.76 -0.14 7.04 3.32 0.16 -2.13 116.42 125.91 3l7h h ASP 60 Ca 0.05 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 3l7h h ASP 60 Cb 0.82 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3l7h h ASP 60 CO 0.07 0.77 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.18 3l7h h LEU 61 N 0.70 0.47 -5.99 1.55 3.38 -0.97 -3.42 115.31 111.02 3l7h h LEU 61 Ca 0.16 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3l7h h LEU 61 Cb 0.29 -0.12 -0.20 0.00 0.09 0.00 0.00 40.66 40.72 3l7h h LEU 61 CO -0.00 0.61 -0.31 -0.62 0.09 0.00 0.00 178.44 178.21 3l7h s ASP 62 N -6.78 -1.39 0.66 -0.43 -1.08 -0.70 -5.03 116.67 101.91 3l7h s ASP 62 Ca -0.07 0.10 0.21 0.00 -0.52 0.00 0.00 52.55 52.27 3l7h s ASP 62 Cb 0.15 1.87 1.09 0.00 -1.46 0.00 0.00 42.92 44.57 3l7h s ASP 62 CO 0.77 -0.25 1.61 1.55 0.52 0.00 0.00 175.17 179.38 3l7h h PRO 63 N 7.77 0.00 -0.20 4.34 0.13 -1.64 0.11 132.00 142.52 3l7h h PRO 63 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3l7h h PRO 63 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3l7h h PRO 63 CO 0.10 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.74 3l7h n SER 64 N -2.85 2.72 -4.87 1.44 3.41 -1.26 -4.93 113.62 107.28 3l7h n SER 64 Ca 0.00 -1.88 -0.21 0.00 -0.26 0.00 0.00 58.87 56.53 3l7h n SER 64 Cb 0.64 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3l7h n SER 64 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3l7h s ASN 65 N -1.70 5.38 -0.15 4.04 2.47 0.40 -5.13 114.94 120.25 3l7h s ASN 65 Ca 0.34 -0.46 -0.11 0.00 0.42 0.00 0.00 52.86 53.06 3l7h s ASN 65 Cb 0.21 -1.00 0.05 0.00 -1.45 0.00 0.00 41.25 39.06 3l7h s ASN 65 CO 0.30 -0.37 0.38 -1.81 -3.72 0.00 0.00 177.10 171.88 3l7h s ASP 66 N -4.03 -0.43 0.38 -4.21 1.01 -1.26 -4.56 116.67 103.56 3l7h s ASP 66 Ca 0.42 0.80 -0.27 0.00 0.71 0.00 0.00 52.55 54.20 3l7h s ASP 66 Cb -0.06 0.74 -0.09 0.00 1.01 0.00 0.00 42.92 44.51 3l7h s ASP 66 CO 0.27 -0.16 1.27 -0.32 0.21 0.00 0.00 175.17 176.44 3l7h s MET 67 N 0.83 4.14 -0.10 8.23 1.75 -1.26 -4.97 119.30 127.92 3l7h s MET 67 Ca -0.05 2.11 -0.01 0.00 -1.25 0.00 0.00 55.69 56.49 3l7h s MET 67 Cb -0.06 -2.86 -0.06 0.00 2.84 0.00 0.00 34.83 34.69 3l7h s MET 67 CO -0.06 -0.34 -0.10 0.25 -0.65 0.00 0.00 175.02 174.12 3l7h n THR 68 N 0.38 0.56 -3.60 10.11 -2.24 -1.26 -5.00 114.28 113.23 3l7h n THR 68 Ca 0.02 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3l7h n THR 68 Cb 0.43 -1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 3l7h n THR 68 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3l7h s PHE 69 N -2.19 -0.31 0.00 4.78 -0.71 -1.26 -4.01 117.98 114.27 3l7h s PHE 69 Ca -0.13 0.02 0.06 0.00 -1.04 0.00 0.00 56.93 55.84 3l7h s PHE 69 Cb 0.04 0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 3l7h s PHE 69 CO 0.21 -0.89 -0.20 -1.17 -1.34 0.00 0.00 175.22 171.83 3l7h s LEU 70 N -2.82 2.07 -0.06 -1.99 0.20 -0.56 -5.00 118.68 110.53 3l7h s LEU 70 Ca 0.05 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.48 3l7h s LEU 70 Cb -0.01 -1.01 0.02 0.00 -0.43 0.00 0.00 46.19 44.76 3l7h s LEU 70 CO -0.08 0.22 -0.08 -0.13 -0.29 0.00 0.00 176.35 175.99 3l7h s ARG 71 N -0.66 1.31 -0.22 1.98 0.52 -1.26 -1.48 118.95 119.15 3l7h s ARG 71 Ca 0.08 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 3l7h s ARG 71 Cb -0.08 -1.21 0.02 0.00 0.52 0.00 0.00 34.95 34.20 3l7h s ARG 71 CO -0.00 -0.07 -0.12 0.08 0.02 0.00 0.00 175.30 175.21 3l7h s VAL 72 N 0.96 2.56 -0.01 3.52 1.01 0.15 -4.96 120.40 123.62 3l7h s VAL 72 Ca -0.10 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 3l7h s VAL 72 Cb -0.15 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3l7h s VAL 72 CO 0.00 0.37 0.32 -0.60 0.00 0.00 0.00 175.10 175.19 3l7h s ARG 73 N 1.32 3.71 0.29 2.72 3.52 -1.26 -0.98 118.95 128.27 3l7h s ARG 73 Ca 0.02 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.81 3l7h s ARG 73 Cb -0.15 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 3l7h s ARG 73 CO -0.08 0.68 0.19 -1.54 -0.81 0.00 0.00 175.30 173.73 3l7h s SER 74 N -1.33 1.32 0.25 -2.12 1.04 0.22 -4.99 113.70 108.08 3l7h s SER 74 Ca 0.24 -1.58 -0.06 0.00 0.48 0.00 0.00 55.95 55.04 3l7h s SER 74 Cb -0.14 0.44 0.46 0.00 0.10 0.00 0.00 66.02 66.87 3l7h s SER 74 CO 0.13 -0.93 1.66 0.11 0.98 0.00 0.00 173.24 175.19 3l7h h LYS 75 N 2.27 0.18 0.00 4.02 1.57 -2.04 -3.24 116.57 119.33 3l7h h LYS 75 Ca -0.32 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.29 3l7h h LYS 75 Cb 1.25 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3l7h h LYS 75 CO 0.48 0.12 -1.76 1.63 -0.57 0.00 0.00 179.45 179.34 3l7h n LYS 76 N -5.24 0.65 -3.82 3.15 5.02 -1.26 -5.03 118.16 111.62 3l7h n LYS 76 Ca 0.14 0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 56.41 3l7h n LYS 76 Cb 0.48 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 3l7h n LYS 76 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3l7h s HIS 77 N -2.99 0.04 -0.03 2.13 -3.43 -1.22 -4.84 115.29 104.95 3l7h s HIS 77 Ca -0.06 -0.65 0.07 0.00 -0.80 0.00 0.00 55.06 53.62 3l7h s HIS 77 Cb 0.09 0.80 -0.01 0.00 -1.43 0.00 0.00 32.58 32.03 3l7h s HIS 77 CO 0.84 -1.45 -0.24 -2.00 -2.00 0.00 0.00 174.74 169.89 3l7h s GLU 78 N -2.67 2.20 -0.14 -0.38 2.12 0.49 -0.61 118.70 119.70 3l7h s GLU 78 Ca 0.15 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.61 3l7h s GLU 78 Cb -0.05 -2.00 -0.00 0.00 0.26 0.00 0.00 34.13 32.33 3l7h s GLU 78 CO 0.10 0.46 -0.16 0.42 -0.54 0.00 0.00 175.26 175.54 3l7h s ILE 79 N -0.39 2.67 -0.06 -3.70 1.01 -0.15 -0.19 121.20 120.39 3l7h s ILE 79 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3l7h s ILE 79 Cb -0.11 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3l7h s ILE 79 CO 0.01 0.52 0.02 -0.32 0.00 0.00 0.00 174.94 175.17 3l7h s MET 80 N 0.66 2.98 -0.10 2.79 -2.45 -0.06 -0.68 119.30 122.44 3l7h s MET 80 Ca -0.08 -0.44 -0.00 0.00 -1.25 0.00 0.00 55.69 53.92 3l7h s MET 80 Cb -0.16 -2.80 0.02 0.00 1.25 0.00 0.00 34.83 33.15 3l7h s MET 80 CO 0.02 0.69 -0.07 0.08 1.05 0.00 0.00 175.02 176.79 3l7h s VAL 81 N -0.96 0.97 -0.19 10.11 1.01 -0.55 -1.15 120.40 129.64 3l7h s VAL 81 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 3l7h s VAL 81 Cb -0.11 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.32 3l7h s VAL 81 CO 0.05 0.36 -0.00 0.00 0.00 0.00 0.00 175.10 175.50 3l7h s ALA 82 N 1.63 1.28 0.09 5.51 0.00 0.08 -1.49 121.76 128.85 3l7h s ALA 82 Ca 0.03 -0.81 -0.34 0.00 0.00 0.00 0.00 51.96 50.84 3l7h s ALA 82 Cb -0.13 -1.18 -0.18 0.00 0.00 0.00 0.00 23.12 21.63 3l7h s ALA 82 CO -0.07 -1.03 0.80 -2.30 0.00 0.00 0.00 175.76 173.16 3l7h n PRO 83 N 4.94 0.00 -3.26 0.00 -0.02 -1.26 -1.48 135.00 133.92 3l7h n PRO 83 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.32 3l7h n PRO 83 Cb 0.47 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.67 3l7h n PRO 83 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3l7h s ASP 84 N -0.46 -0.47 1.47 2.55 2.15 0.19 -4.89 116.67 117.20 3l7h s ASP 84 Ca 0.77 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.88 3l7h s ASP 84 Cb -1.09 1.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 3l7h s ASP 84 CO 0.56 -0.23 0.00 0.29 -0.17 0.00 0.00 175.17 175.61 3l7h n LYS 85 N 4.59 0.00 -0.43 4.34 5.02 -1.26 0.71 118.16 131.13 3l7h n LYS 85 Ca 0.09 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.41 3l7h n LYS 85 Cb 0.52 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.72 3l7h n LYS 85 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3l7h n ASP 86 N 7.82 3.22 -3.79 4.39 8.00 -1.26 -4.92 116.55 130.01 3l7h n ASP 86 Ca 0.00 -2.44 -0.12 0.00 0.71 0.00 0.00 54.79 52.94 3l7h n ASP 86 Cb 0.00 -0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 40.43 3l7h n ASP 86 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3l7h s PHE 87 N -1.82 -0.07 -0.10 1.24 0.40 0.22 -2.93 117.98 114.92 3l7h s PHE 87 Ca 0.26 -0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.56 3l7h s PHE 87 Cb 0.20 0.05 -0.03 0.00 0.51 0.00 0.00 43.02 43.75 3l7h s PHE 87 CO 0.07 -0.43 -0.08 0.42 0.70 0.00 0.00 175.22 175.91 3l7h s ILE 88 N -2.08 3.58 -0.16 0.64 1.01 -0.01 0.55 121.20 124.73 3l7h s ILE 88 Ca -0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3l7h s ILE 88 Cb -0.03 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3l7h s ILE 88 CO -0.01 0.55 -0.07 -0.22 0.00 0.00 0.00 174.94 175.20 3l7h s LEU 89 N -0.22 3.03 -0.14 2.97 2.96 -0.55 -1.00 118.68 125.73 3l7h s LEU 89 Ca 0.03 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3l7h s LEU 89 Cb -0.13 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 3l7h s LEU 89 CO 0.03 0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.40 3l7h s ILE 90 N 0.56 2.64 -0.06 6.68 1.01 0.02 -0.74 121.20 131.30 3l7h s ILE 90 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3l7h s ILE 90 Cb -0.15 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3l7h s ILE 90 CO 0.03 0.52 -0.12 -0.69 0.00 0.00 0.00 174.94 174.69 3l7h s VAL 91 N 0.64 1.07 -0.17 2.92 1.01 -0.30 -1.04 120.40 124.52 3l7h s VAL 91 Ca -0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3l7h s VAL 91 Cb -0.16 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3l7h s VAL 91 CO 0.03 0.34 -0.05 -0.63 0.00 0.00 0.00 175.10 174.79 3l7h s ILE 92 N 0.61 3.66 0.12 2.22 1.01 -0.23 -0.88 121.20 127.72 3l7h s ILE 92 Ca -0.13 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3l7h s ILE 92 Cb -0.15 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3l7h s ILE 92 CO 0.03 0.47 -0.07 0.00 0.00 0.00 0.00 174.94 175.37 3l7h s GLN 93 N 0.72 0.94 0.00 2.79 -2.07 0.73 -0.70 119.66 122.08 3l7h s GLN 93 Ca -0.02 -1.40 0.14 0.00 -1.82 0.00 0.00 55.36 52.26 3l7h s GLN 93 Cb -0.15 -0.33 0.82 0.00 -1.09 0.00 0.00 33.01 32.26 3l7h s GLN 93 CO 0.02 -0.01 1.24 0.09 -1.32 0.00 0.00 175.29 175.32