#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 1.17 0.01 5.55 9.09 -2.01 -2.84 114.58 125.55 3l7h h GLU 6 Ca 0.00 -0.20 -0.00 0.00 0.05 0.00 0.00 59.36 59.21 3l7h h GLU 6 Cb 0.00 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 26.90 3l7h h GLU 6 CO 0.00 0.93 -0.01 0.93 0.05 0.00 0.00 179.01 180.91 3l7h h GLU 7 N 1.14 -0.02 0.02 1.06 3.07 -2.05 -2.88 114.58 114.92 3l7h h GLU 7 Ca 0.27 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.16 3l7h h GLU 7 Cb 0.19 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.05 3l7h h GLU 7 CO -0.03 0.11 -0.34 1.15 -1.40 0.00 0.00 179.01 178.50 3l7h h THR 8 N -0.15 0.27 0.12 1.13 2.02 -1.97 0.93 112.91 115.26 3l7h h THR 8 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3l7h h THR 8 Cb 0.14 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 3l7h h THR 8 CO 0.00 0.00 -0.51 0.25 0.37 0.00 0.00 175.52 175.63 3l7h h LEU 9 N -0.51 -1.54 -0.95 2.58 7.12 -1.53 -1.24 115.31 119.23 3l7h h LEU 9 Ca 0.05 0.16 0.17 0.00 0.13 0.00 0.00 57.88 58.40 3l7h h LEU 9 Cb 0.59 0.57 -0.10 0.00 -0.53 0.00 0.00 40.66 41.19 3l7h h LEU 9 CO -0.26 -0.55 0.55 0.50 -0.13 0.00 0.00 178.44 178.55 3l7h h LYS 10 N -0.74 0.71 -0.58 1.25 3.64 -1.26 -0.39 116.57 119.19 3l7h h LYS 10 Ca -0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 3l7h h LYS 10 Cb 0.75 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3l7h h LYS 10 CO -0.28 0.47 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.24 3l7h h ARG 11 N 0.73 1.05 -0.00 1.90 2.43 -0.03 -2.62 114.38 117.83 3l7h h ARG 11 Ca 0.54 -0.35 -0.24 0.00 -0.81 0.00 0.00 59.98 59.12 3l7h h ARG 11 Cb 0.80 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3l7h h ARG 11 CO -0.37 1.05 -0.97 0.82 -1.51 0.00 0.00 179.97 178.99 3l7h h ILE 12 N 0.95 1.36 0.00 1.20 1.08 -0.50 -3.00 117.51 118.60 3l7h h ILE 12 Ca 0.16 -2.37 -0.01 0.00 -0.39 0.00 0.00 64.86 62.25 3l7h h ILE 12 Cb 0.60 2.39 -0.00 0.00 -3.07 0.00 0.00 36.82 36.74 3l7h h ILE 12 CO 0.04 0.72 -0.06 -0.61 -0.69 0.00 0.00 178.15 177.54 3l7h h GLN 13 N 0.29 0.00 -0.01 2.37 5.75 -1.09 -1.97 115.11 120.45 3l7h h GLN 13 Ca -0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3l7h h GLN 13 Cb 1.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.16 3l7h h GLN 13 CO 0.18 0.06 -0.04 -1.13 -2.65 0.00 0.00 178.83 175.25 3l7h n SER 14 N -3.26 1.28 -4.70 -0.69 3.41 -0.99 -4.77 113.62 103.90 3l7h n SER 14 Ca -0.01 -1.35 -0.42 0.00 -0.26 0.00 0.00 58.87 56.83 3l7h n SER 14 Cb 0.25 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.08 3.42 0.23 7.33 5.65 -0.74 -5.01 115.29 124.09 3l7h s HIS 15 Ca 0.37 1.44 -0.27 0.00 0.25 0.00 0.00 55.06 56.84 3l7h s HIS 15 Cb 0.21 -3.29 -0.17 0.00 -1.18 0.00 0.00 32.58 28.15 3l7h s HIS 15 CO 0.37 -0.74 0.46 1.63 -0.65 0.00 0.00 174.74 175.81 3l7h n LYS 16 N 4.66 0.00 0.00 2.88 5.02 -1.26 -2.04 118.16 127.41 3l7h n LYS 16 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3l7h n LYS 16 Cb 0.48 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 2.04 2.41 3.72 0.72 0.00 -1.26 -4.97 105.19 107.86 3l7h n GLY 17 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.76 3.79 -0.08 1.61 1.01 -0.87 -0.41 120.40 123.69 3l7h s VAL 18 Ca 0.00 1.38 0.09 0.00 0.00 0.00 0.00 61.98 63.45 3l7h s VAL 18 Cb 0.00 -3.88 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 3l7h s VAL 18 CO 0.00 0.16 0.07 0.52 0.00 0.00 0.00 175.10 175.85 3l7h n VAL 19 N 3.24 0.52 -3.50 2.92 0.31 0.98 -4.92 118.33 117.88 3l7h n VAL 19 Ca 0.07 -0.36 -0.15 0.00 -0.01 0.00 0.00 64.34 63.89 3l7h n VAL 19 Cb 0.45 -0.56 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 3l7h n VAL 19 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3l7h s GLY 20 N -3.96 -0.55 0.01 2.92 0.00 -0.85 -4.99 107.32 99.91 3l7h s GLY 20 Ca -0.04 1.17 0.02 0.00 0.00 0.00 0.00 44.72 45.86 3l7h s GLY 20 CO 0.39 0.71 -0.06 -1.59 0.00 0.00 0.00 173.10 172.56 3l7h s THR 21 N -1.99 0.42 -0.03 0.90 2.01 -1.26 -0.31 115.64 115.38 3l7h s THR 21 Ca -0.06 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3l7h s THR 21 Cb -0.00 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.10 3l7h s THR 21 CO 0.02 -0.11 0.07 -0.63 -0.69 0.00 0.00 174.62 173.28 3l7h s ILE 22 N -0.65 -0.02 -0.16 1.82 1.01 0.04 -2.05 121.20 121.20 3l7h s ILE 22 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3l7h s ILE 22 Cb -0.05 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.29 3l7h s ILE 22 CO 0.00 0.03 -0.15 -0.69 0.00 0.00 0.00 174.94 174.13 3l7h s VAL 23 N 0.44 2.67 -0.01 2.92 1.01 0.29 -1.09 120.40 126.63 3l7h s VAL 23 Ca -0.03 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3l7h s VAL 23 Cb -0.05 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3l7h s VAL 23 CO -0.02 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 3l7h s VAL 24 N 0.85 2.62 0.80 2.92 1.01 -0.12 0.18 120.40 128.66 3l7h s VAL 24 Ca -0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 3l7h s VAL 24 Cb -0.15 -2.01 0.15 0.00 0.00 0.00 0.00 36.38 34.37 3l7h s VAL 24 CO -0.01 0.51 1.10 0.54 0.00 0.00 0.00 175.10 177.24 3l7h s ASN 25 N -0.90 3.95 0.05 3.32 2.20 0.01 -0.82 114.94 122.74 3l7h s ASN 25 Ca 0.12 -0.19 0.12 0.00 -0.94 0.00 0.00 52.86 51.97 3l7h s ASN 25 Cb -0.10 -0.07 0.53 0.00 -2.00 0.00 0.00 41.25 39.61 3l7h s ASN 25 CO 0.01 -2.15 1.39 -0.46 -2.94 0.00 0.00 177.10 172.95 3l7h n ASN 26 N -3.13 0.11 -1.30 3.54 0.23 -1.25 -0.54 115.26 112.92 3l7h n ASN 26 Ca 0.15 0.53 0.12 0.00 -0.53 0.00 0.00 54.58 54.85 3l7h n ASN 26 Cb 0.60 -0.55 0.30 0.00 -2.08 0.00 0.00 39.78 38.05 3l7h n ASN 26 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3l7h n GLU 27 N -1.63 2.70 -0.90 -3.83 1.02 -1.26 -4.98 120.64 111.76 3l7h n GLU 27 Ca 0.02 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 3l7h n GLU 27 Cb 0.13 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 1.58 0.73 3.67 0.62 0.00 0.30 -5.05 105.19 107.04 3l7h n GLY 28 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.79 4.91 -0.12 -0.61 -1.09 -1.26 -4.79 121.20 115.45 3l7h s ILE 29 Ca 0.00 1.55 -0.29 0.00 -2.23 0.00 0.00 60.65 59.68 3l7h s ILE 29 Cb 0.00 -4.10 -0.07 0.00 -1.58 0.00 0.00 42.46 36.71 3l7h s ILE 29 CO 0.00 0.05 2.12 -2.65 -1.23 0.00 0.00 174.94 173.23 3l7h n PRO 30 N 5.14 2.31 0.01 2.79 -0.02 -1.26 -0.81 135.00 143.16 3l7h n PRO 30 Ca 0.03 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 62.17 3l7h n PRO 30 Cb 0.49 -3.11 -0.13 0.00 -0.02 0.00 0.00 33.50 30.72 3l7h n PRO 30 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3l7h h VAL 31 N 6.49 1.20 -2.85 -1.45 -1.51 0.16 -3.47 116.25 114.81 3l7h h VAL 31 Ca -0.44 -2.99 -0.14 0.00 -1.23 0.00 0.00 66.70 61.90 3l7h h VAL 31 Cb 1.24 2.60 -0.25 0.00 -2.13 0.00 0.00 31.29 32.75 3l7h h VAL 31 CO 0.95 0.69 -0.31 -0.54 -1.23 0.00 0.00 177.57 177.14 3l7h s LYS 32 N -2.64 0.41 -0.03 5.19 -0.14 -1.05 -4.98 119.74 116.50 3l7h s LYS 32 Ca -0.03 0.53 -0.14 0.00 -1.36 0.00 0.00 55.97 54.97 3l7h s LYS 32 Cb 0.09 0.17 0.02 0.00 -1.68 0.00 0.00 37.83 36.43 3l7h s LYS 32 CO 0.82 -0.07 0.30 0.45 -0.76 0.00 0.00 175.35 176.10 3l7h s SER 33 N 0.36 -0.20 0.00 2.83 0.15 -1.26 -0.55 113.70 115.03 3l7h s SER 33 Ca -0.01 0.13 0.25 0.00 0.70 0.00 0.00 55.95 57.02 3l7h s SER 33 Cb -0.03 0.35 0.49 0.00 -1.71 0.00 0.00 66.02 65.11 3l7h s SER 33 CO -0.01 -0.41 1.41 0.35 1.20 0.00 0.00 173.24 175.78 3l7h n THR 34 N 1.47 0.00 -3.13 6.45 -2.24 -0.87 -4.93 114.28 111.03 3l7h n THR 34 Ca -0.21 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 3l7h n THR 34 Cb 0.56 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.34 3.60 0.90 3.22 1.43 -1.26 -4.96 118.68 119.27 3l7h s LEU 35 Ca 0.25 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3l7h s LEU 35 Cb 0.19 -2.53 0.14 0.00 0.03 0.00 0.00 46.19 44.02 3l7h s LEU 35 CO 0.48 -0.74 1.19 1.51 0.23 0.00 0.00 176.35 179.01 3l7h s ASP 36 N -4.31 3.66 0.16 2.29 1.47 -1.26 -4.73 116.67 113.95 3l7h s ASP 36 Ca 0.54 0.75 -0.09 0.00 1.18 0.00 0.00 52.55 54.92 3l7h s ASP 36 Cb -0.09 -1.18 0.00 0.00 -0.34 0.00 0.00 42.92 41.32 3l7h s ASP 36 CO 0.32 -2.44 1.50 -1.13 0.68 0.00 0.00 175.17 174.11 3l7h h ASN 37 N -1.42 0.95 0.85 2.11 -1.24 -1.99 -0.42 115.58 114.42 3l7h h ASN 37 Ca -0.47 -0.43 -0.19 0.00 0.71 0.00 0.00 56.30 55.92 3l7h h ASN 37 Cb 1.31 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.07 3l7h h ASN 37 CO 0.58 1.21 -0.91 0.71 -1.29 0.00 0.00 177.43 177.73 3l7h h THR 38 N 0.74 1.62 -0.11 -3.57 1.35 -2.00 -1.61 112.91 109.34 3l7h h THR 38 Ca 0.07 -3.02 -0.01 0.00 -0.55 0.00 0.00 66.41 62.89 3l7h h THR 38 Cb 0.95 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 70.01 3l7h h THR 38 CO 0.09 0.87 0.02 0.74 -0.25 0.00 0.00 175.52 176.99 3l7h h THR 39 N 0.01 1.21 -0.87 6.82 2.02 -1.92 -2.88 112.91 117.30 3l7h h THR 39 Ca -0.02 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 66.60 3l7h h THR 39 Cb 1.59 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 69.36 3l7h h THR 39 CO 0.12 0.19 0.53 0.74 0.37 0.00 0.00 175.52 177.46 3l7h h THR 40 N -0.04 0.97 -0.19 3.16 2.02 -0.96 -1.46 112.91 116.41 3l7h h THR 40 Ca 0.03 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3l7h h THR 40 Cb 0.27 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 3l7h h THR 40 CO 0.00 0.17 -0.08 0.58 0.37 0.00 0.00 175.52 176.55 3l7h h VAL 41 N 0.91 0.73 -0.04 3.16 2.07 -1.26 -0.79 116.25 121.03 3l7h h VAL 41 Ca 0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.92 3l7h h VAL 41 Cb 0.30 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3l7h h VAL 41 CO -0.22 0.00 0.02 1.56 0.02 0.00 0.00 177.57 178.95 3l7h h GLN 42 N -0.06 0.05 -0.49 1.57 1.08 -1.20 -0.89 115.11 115.17 3l7h h GLN 42 Ca 0.10 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 3l7h h GLN 42 Cb 0.21 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 3l7h h GLN 42 CO -0.23 0.19 0.26 1.88 -0.95 0.00 0.00 178.83 179.97 3l7h h TYR 43 N -0.09 0.69 -0.23 2.96 -1.99 -1.23 -1.27 116.97 115.80 3l7h h TYR 43 Ca 0.01 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 3l7h h TYR 43 Cb 0.15 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 3l7h h TYR 43 CO -0.02 0.53 -0.09 0.00 -0.00 0.00 0.00 178.16 178.57 3l7h h ALA 44 N 1.10 0.33 -0.07 3.88 0.00 -1.15 -0.50 119.26 122.85 3l7h h ALA 44 Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3l7h h ALA 44 Cb 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3l7h h ALA 44 CO -0.03 0.16 -0.03 0.78 0.00 0.00 0.00 179.25 180.13 3l7h h GLY 45 N 0.20 0.15 1.10 0.00 0.00 -1.13 -1.62 103.07 101.76 3l7h h GLY 45 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3l7h h GLY 45 CO 0.03 0.12 -0.19 1.41 0.00 0.00 0.00 176.54 177.91 3l7h h LEU 46 N -0.23 1.01 -1.05 3.11 3.38 -1.23 -0.95 115.31 119.35 3l7h h LEU 46 Ca 0.02 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 3l7h h LEU 46 Cb 0.46 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3l7h h LEU 46 CO 0.01 1.17 -0.25 0.24 0.09 0.00 0.00 178.44 179.71 3l7h h MET 47 N 0.85 0.38 -0.15 1.13 2.86 -1.16 -1.49 114.93 117.36 3l7h h MET 47 Ca 0.11 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3l7h h MET 47 Cb 0.77 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 3l7h h MET 47 CO 0.06 0.61 -0.40 0.77 1.06 0.00 0.00 176.91 179.01 3l7h h SER 48 N 0.34 0.34 0.00 1.22 0.02 -0.93 0.10 113.55 114.65 3l7h h SER 48 Ca 0.05 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3l7h h SER 48 Cb 0.62 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3l7h h SER 48 CO 0.04 0.71 -0.00 1.56 -1.14 0.00 0.00 176.83 178.00 3l7h h GLN 49 N 0.27 -0.00 -0.36 3.45 4.20 -0.87 -1.12 115.11 120.68 3l7h h GLN 49 Ca 0.03 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3l7h h GLN 49 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 3l7h h GLN 49 CO 0.07 0.14 0.20 1.25 -0.67 0.00 0.00 178.83 179.82 3l7h h LEU 50 N -0.15 0.32 -0.89 1.46 5.85 -0.85 -1.27 115.31 119.78 3l7h h LEU 50 Ca -0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3l7h h LEU 50 Cb 0.15 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3l7h h LEU 50 CO 0.00 0.23 0.35 0.00 -0.34 0.00 0.00 178.44 178.68 3l7h h ALA 51 N 1.17 1.13 -0.43 1.25 0.00 -0.79 -0.20 119.26 121.39 3l7h h ALA 51 Ca 0.14 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3l7h h ALA 51 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3l7h h ALA 51 CO -0.08 0.64 -0.25 0.22 0.00 0.00 0.00 179.25 179.78 3l7h h ASP 52 N 1.13 0.92 -0.09 0.00 3.58 -0.74 -0.35 116.42 120.87 3l7h h ASP 52 Ca 0.27 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 3l7h h ASP 52 Cb 0.16 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 3l7h h ASP 52 CO -0.03 1.12 0.05 0.50 -2.88 0.00 0.00 179.24 178.00 3l7h h LYS 53 N 0.77 0.13 -0.77 0.28 1.63 -0.54 -2.53 116.57 115.53 3l7h h LYS 53 Ca 0.09 -0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.02 3l7h h LYS 53 Cb 0.81 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.32 3l7h h LYS 53 CO 0.07 0.17 0.33 0.00 -3.45 0.00 0.00 179.45 176.57 3l7h h ALA 54 N 0.95 1.10 -0.29 5.00 0.00 -0.89 -0.68 119.26 124.44 3l7h h ALA 54 Ca 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3l7h h ALA 54 Cb 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3l7h h ALA 54 CO -0.01 -0.18 0.10 -0.09 0.00 0.00 0.00 179.25 179.08 3l7h h ARG 55 N 0.48 0.44 -0.80 0.00 2.43 -0.91 -1.09 114.38 114.94 3l7h h ARG 55 Ca 0.42 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 3l7h h ARG 55 Cb 0.62 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3l7h h ARG 55 CO -0.39 0.48 0.47 0.77 -1.51 0.00 0.00 179.97 179.80 3l7h h SER 56 N 0.31 0.97 -0.18 -3.80 0.02 -1.29 -2.48 113.55 107.09 3l7h h SER 56 Ca 0.09 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3l7h h SER 56 Cb 0.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3l7h h SER 56 CO -0.01 0.75 0.08 0.58 -1.14 0.00 0.00 176.83 177.10 3l7h h VAL 57 N 1.10 1.14 -0.29 2.27 2.07 -0.84 0.74 116.25 122.44 3l7h h VAL 57 Ca 0.29 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.44 3l7h h VAL 57 Cb -0.03 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3l7h h VAL 57 CO -0.05 0.14 -0.10 0.58 0.02 0.00 0.00 177.57 178.15 3l7h h VAL 58 N 0.15 0.64 -0.16 2.57 2.07 -1.11 -1.73 116.25 118.67 3l7h h VAL 58 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3l7h h VAL 58 Cb 0.14 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3l7h h VAL 58 CO -0.01 0.00 -0.07 0.03 0.02 0.00 0.00 177.57 177.54 3l7h h ARG 59 N -0.05 0.25 -0.42 1.57 2.47 -1.33 -0.94 114.38 115.92 3l7h h ARG 59 Ca 0.15 -0.05 -0.11 0.00 -1.26 0.00 0.00 59.98 58.71 3l7h h ARG 59 Cb 0.27 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3l7h h ARG 59 CO -0.32 0.33 -0.18 -0.44 0.56 0.00 0.00 179.97 179.92 3l7h h ASP 60 N 0.24 0.82 0.97 7.04 3.32 -0.16 -2.31 116.42 126.34 3l7h h ASP 60 Ca 0.05 -0.28 -0.17 0.00 0.02 0.00 0.00 57.03 56.65 3l7h h ASP 60 Cb 0.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3l7h h ASP 60 CO 0.01 0.99 -0.80 -0.07 -1.72 0.00 0.00 179.24 177.66 3l7h h LEU 61 N 0.72 0.00 -5.99 1.55 3.38 -1.08 -3.44 115.31 110.45 3l7h h LEU 61 Ca 0.11 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3l7h h LEU 61 Cb 0.69 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.24 3l7h h LEU 61 CO 0.05 0.80 -0.20 -0.62 0.09 0.00 0.00 178.44 178.56 3l7h s ASP 62 N -6.69 -1.04 0.02 -0.43 2.15 -0.38 -5.02 116.67 105.27 3l7h s ASP 62 Ca 0.01 0.11 0.04 0.00 0.43 0.00 0.00 52.55 53.14 3l7h s ASP 62 Cb 0.10 1.65 0.18 0.00 -0.30 0.00 0.00 42.92 44.56 3l7h s ASP 62 CO 0.79 -0.19 1.12 -0.81 -0.17 0.00 0.00 175.17 175.91 3l7h n PRO 63 N 5.24 0.01 0.00 4.34 -0.04 -0.90 -0.73 135.00 142.92 3l7h n PRO 63 Ca 0.07 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3l7h n PRO 63 Cb 0.56 -1.53 0.32 0.00 -0.04 0.00 0.00 33.50 32.81 3l7h n PRO 63 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3l7h n SER 64 N -1.54 0.77 -4.97 3.54 3.41 -1.26 -4.92 113.62 108.65 3l7h n SER 64 Ca 0.01 -0.58 -0.21 0.00 -0.26 0.00 0.00 58.87 57.83 3l7h n SER 64 Cb 0.04 0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.74 6.18 -0.09 4.04 2.47 0.09 -5.12 114.94 119.77 3l7h s ASN 65 Ca 0.18 -0.02 -0.07 0.00 0.42 0.00 0.00 52.86 53.37 3l7h s ASN 65 Cb 0.18 -1.66 0.03 0.00 -1.45 0.00 0.00 41.25 38.35 3l7h s ASN 65 CO 0.60 -0.16 0.23 -1.81 -3.72 0.00 0.00 177.10 172.24 3l7h s ASP 66 N -4.02 -0.24 0.28 -4.21 1.01 -1.26 -4.57 116.67 103.65 3l7h s ASP 66 Ca 0.37 0.48 -0.29 0.00 0.71 0.00 0.00 52.55 53.81 3l7h s ASP 66 Cb -0.09 0.45 -0.10 0.00 1.01 0.00 0.00 42.92 44.20 3l7h s ASP 66 CO 0.29 -0.10 1.10 -0.32 0.21 0.00 0.00 175.17 176.35 3l7h s MET 67 N 0.40 4.63 0.00 8.23 -2.45 -1.26 -4.95 119.30 123.91 3l7h s MET 67 Ca -0.02 1.80 0.00 0.00 -1.25 0.00 0.00 55.69 56.21 3l7h s MET 67 Cb -0.04 -3.18 0.00 0.00 1.25 0.00 0.00 34.83 32.86 3l7h s MET 67 CO -0.02 0.21 0.00 0.25 1.05 0.00 0.00 175.02 176.51 3l7h n THR 68 N 1.17 0.00 -3.57 10.11 -2.24 -1.26 -4.98 114.28 113.51 3l7h n THR 68 Ca -0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 3l7h n THR 68 Cb 0.45 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3l7h n THR 68 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3l7h s PHE 69 N -1.87 -0.69 -0.04 4.78 5.36 -1.26 -4.04 117.98 120.22 3l7h s PHE 69 Ca 0.00 1.41 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 3l7h s PHE 69 Cb 0.00 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.05 3l7h s PHE 69 CO 0.00 -0.50 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.03 3l7h s LEU 70 N -0.56 1.51 -0.07 6.12 2.96 -0.63 -5.02 118.68 123.00 3l7h s LEU 70 Ca -0.06 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3l7h s LEU 70 Cb -0.02 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.19 3l7h s LEU 70 CO 0.06 -0.01 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.83 3l7h s ARG 71 N 0.65 1.71 -0.20 1.98 0.52 -1.26 -0.99 118.95 121.36 3l7h s ARG 71 Ca -0.09 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 3l7h s ARG 71 Cb -0.12 -1.43 0.02 0.00 0.52 0.00 0.00 34.95 33.93 3l7h s ARG 71 CO 0.01 0.01 -0.15 0.54 0.02 0.00 0.00 175.30 175.73 3l7h s VAL 72 N 0.73 2.37 -0.12 3.52 0.11 0.36 -4.98 120.40 122.39 3l7h s VAL 72 Ca -0.13 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 57.90 3l7h s VAL 72 Cb -0.16 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 3l7h s VAL 72 CO 0.03 0.43 0.14 -0.60 -3.33 0.00 0.00 175.10 171.76 3l7h s ARG 73 N 1.31 3.46 0.33 1.54 3.52 -1.26 -0.61 118.95 127.23 3l7h s ARG 73 Ca 0.03 -0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.52 3l7h s ARG 73 Cb -0.14 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 3l7h s ARG 73 CO -0.10 0.76 0.12 -1.54 -0.81 0.00 0.00 175.30 173.73 3l7h s SER 74 N -0.96 2.03 0.32 -2.12 1.04 0.50 -5.00 113.70 109.51 3l7h s SER 74 Ca 0.15 -1.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.05 3l7h s SER 74 Cb -0.12 0.29 0.53 0.00 0.10 0.00 0.00 66.02 66.82 3l7h s SER 74 CO 0.04 -0.82 1.98 0.11 0.98 0.00 0.00 173.24 175.53 3l7h h LYS 75 N 2.09 0.97 0.06 4.02 1.57 -2.04 -3.24 116.57 120.01 3l7h h LYS 75 Ca -0.36 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.09 3l7h h LYS 75 Cb 1.25 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3l7h h LYS 75 CO 0.58 0.64 -1.35 0.87 -0.57 0.00 0.00 179.45 179.63 3l7h h LYS 76 N 1.00 0.12 0.00 3.15 1.57 -2.00 -3.50 116.57 116.93 3l7h h LYS 76 Ca 0.28 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3l7h h LYS 76 Cb -0.10 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3l7h h LYS 76 CO -0.06 0.98 0.07 -2.39 -0.57 0.00 0.00 179.45 177.48 3l7h n HIS 77 N -3.36 -1.19 -4.44 -1.35 1.44 -1.22 -4.88 115.22 100.22 3l7h n HIS 77 Ca -0.10 -0.38 -0.21 0.00 -2.01 0.00 0.00 57.72 55.02 3l7h n HIS 77 Cb 1.01 0.19 -0.14 0.00 0.12 0.00 0.00 29.99 31.17 3l7h n HIS 77 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 3l7h s GLU 78 N -2.02 1.05 -0.07 -1.40 2.12 0.63 -0.37 118.70 118.64 3l7h s GLU 78 Ca 0.04 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.62 3l7h s GLU 78 Cb -0.01 -1.08 0.01 0.00 0.26 0.00 0.00 34.13 33.31 3l7h s GLU 78 CO 0.02 0.27 -0.14 0.42 -0.54 0.00 0.00 175.26 175.29 3l7h s ILE 79 N -0.80 1.32 -0.00 -3.70 1.01 0.22 -0.98 121.20 118.26 3l7h s ILE 79 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3l7h s ILE 79 Cb -0.08 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3l7h s ILE 79 CO 0.01 0.40 -0.08 -0.04 0.00 0.00 0.00 174.94 175.23 3l7h s MET 80 N 0.62 2.54 -0.15 2.79 -1.94 -0.28 -0.49 119.30 122.39 3l7h s MET 80 Ca -0.15 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 3l7h s MET 80 Cb -0.16 -2.49 0.03 0.00 2.01 0.00 0.00 34.83 34.22 3l7h s MET 80 CO 0.04 0.61 -0.12 0.08 -0.01 0.00 0.00 175.02 175.62 3l7h s VAL 81 N -0.96 1.47 -0.40 -6.03 1.01 -0.16 -1.33 120.40 113.99 3l7h s VAL 81 Ca 0.16 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3l7h s VAL 81 Cb -0.11 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 34.96 3l7h s VAL 81 CO 0.06 0.39 0.16 0.00 0.00 0.00 0.00 175.10 175.71 3l7h s ALA 82 N 1.52 2.51 -0.87 5.51 0.00 -0.30 -1.61 121.76 128.51 3l7h s ALA 82 Ca 0.04 -2.55 -0.25 0.00 0.00 0.00 0.00 51.96 49.20 3l7h s ALA 82 Cb -0.13 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.99 3l7h s ALA 82 CO -0.10 -1.86 2.09 -2.14 0.00 0.00 0.00 175.76 173.74 3l7h s PRO 83 N 0.62 2.26 -0.41 0.00 0.02 -1.26 -2.64 135.00 133.59 3l7h s PRO 83 Ca 0.14 -0.07 -0.10 0.00 0.02 0.00 0.00 61.00 60.99 3l7h s PRO 83 Cb -0.22 -4.98 0.07 0.00 0.02 0.00 0.00 34.50 29.39 3l7h s PRO 83 CO -0.07 -3.72 0.25 0.34 -0.33 0.00 0.00 177.00 173.47 3l7h s ASP 84 N 8.86 5.68 1.59 2.53 2.15 -0.78 -4.96 116.67 131.75 3l7h s ASP 84 Ca 0.77 -1.37 0.00 0.00 0.43 0.00 0.00 52.55 52.38 3l7h s ASP 84 Cb -0.08 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 3l7h s ASP 84 CO 0.02 -0.50 0.00 0.29 -0.17 0.00 0.00 175.17 174.81 3l7h n LYS 85 N 4.95 0.00 0.03 4.34 5.02 -1.26 -2.07 118.16 129.16 3l7h n LYS 85 Ca -0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.99 3l7h n LYS 85 Cb 0.44 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.34 3l7h n LYS 85 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3l7h h ASP 86 N 0.00 0.79 -2.09 4.39 5.19 -1.99 -3.48 116.42 119.23 3l7h h ASP 86 Ca 0.00 -0.74 -0.45 0.00 -0.62 0.00 0.00 57.03 55.22 3l7h h ASP 86 Cb 0.00 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.27 3l7h h ASP 86 CO 0.00 1.42 -0.34 -0.36 -3.12 0.00 0.00 179.24 176.85 3l7h s PHE 87 N -3.31 3.26 -0.11 4.55 0.08 -0.88 -3.88 117.98 117.69 3l7h s PHE 87 Ca -0.11 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 56.89 3l7h s PHE 87 Cb 0.06 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3l7h s PHE 87 CO 0.89 0.12 -0.20 0.42 -0.10 0.00 0.00 175.22 176.35 3l7h s ILE 88 N -2.15 2.43 -0.17 0.64 -1.09 -0.00 -1.86 121.20 119.00 3l7h s ILE 88 Ca 0.41 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.86 3l7h s ILE 88 Cb -0.09 -1.97 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 3l7h s ILE 88 CO 0.31 0.55 0.12 -0.76 -1.23 0.00 0.00 174.94 173.93 3l7h s LEU 89 N 0.38 4.22 -0.15 2.97 1.02 -1.08 -0.94 118.68 125.10 3l7h s LEU 89 Ca -0.15 0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.30 3l7h s LEU 89 Cb -0.17 -2.07 -0.00 0.00 0.02 0.00 0.00 46.19 43.97 3l7h s LEU 89 CO 0.07 0.26 -0.16 -0.63 0.02 0.00 0.00 176.35 175.91 3l7h s ILE 90 N -0.13 2.58 -0.11 -0.59 1.01 -0.25 -1.15 121.20 122.57 3l7h s ILE 90 Ca 0.10 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3l7h s ILE 90 Cb -0.11 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.29 3l7h s ILE 90 CO 0.00 0.52 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 3l7h s VAL 91 N 0.81 1.30 -0.19 2.92 1.01 -0.44 -0.78 120.40 125.03 3l7h s VAL 91 Ca -0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3l7h s VAL 91 Cb -0.15 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3l7h s VAL 91 CO -0.00 0.41 0.22 -0.63 0.00 0.00 0.00 175.10 175.10 3l7h s ILE 92 N 1.32 5.34 0.01 2.22 1.09 0.58 -1.13 121.20 130.64 3l7h s ILE 92 Ca -0.01 0.37 -0.04 0.00 -1.10 0.00 0.00 60.65 59.88 3l7h s ILE 92 Cb -0.14 -3.56 -0.01 0.00 -1.06 0.00 0.00 42.46 37.69 3l7h s ILE 92 CO -0.06 0.39 0.06 0.00 -0.10 0.00 0.00 174.94 175.24 3l7h s GLN 93 N 0.59 0.42 0.00 2.79 -2.07 -0.16 -0.01 119.66 121.21 3l7h s GLN 93 Ca 0.12 -0.51 0.19 0.00 -1.82 0.00 0.00 55.36 53.34 3l7h s GLN 93 Cb -0.12 0.16 1.11 0.00 -1.09 0.00 0.00 33.01 33.07 3l7h s GLN 93 CO 0.02 -0.09 1.51 0.09 -1.32 0.00 0.00 175.29 175.50