#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u n GLU 2 N 0.00 1.52 -4.29 1.61 0.00 -1.26 -4.97 120.64 113.24 1s6u n GLU 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.98 1s6u n GLU 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 1s6u n GLU 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1s6u s VAL 3 N 1.04 0.64 -0.20 3.84 1.01 0.20 -4.70 120.40 122.22 1s6u s VAL 3 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1s6u s VAL 3 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1s6u s VAL 3 CO 0.00 0.14 0.11 0.54 0.00 0.00 0.00 175.10 175.89 1s6u s VAL 4 N -0.28 5.19 0.06 2.92 0.11 -1.26 -0.58 120.40 126.57 1s6u s VAL 4 Ca 0.02 0.11 0.10 0.00 -2.93 0.00 0.00 61.98 59.28 1s6u s VAL 4 Cb -0.04 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1s6u s VAL 4 CO -0.00 0.43 -0.26 -0.76 -3.33 0.00 0.00 175.10 171.18 1s6u s LEU 5 N 0.48 2.20 -0.12 2.54 1.02 0.19 -1.62 118.68 123.37 1s6u s LEU 5 Ca 0.06 -0.62 0.02 0.00 0.02 0.00 0.00 54.13 53.61 1s6u s LEU 5 Cb -0.12 -1.25 0.01 0.00 0.02 0.00 0.00 46.19 44.85 1s6u s LEU 5 CO -0.00 0.24 -0.18 -0.75 0.02 0.00 0.00 176.35 175.67 1s6u s LYS 6 N -1.41 2.57 -0.12 1.70 2.36 -1.26 -0.63 119.74 122.93 1s6u s LYS 6 Ca 0.12 -0.69 0.01 0.00 -2.55 0.00 0.00 55.97 52.86 1s6u s LYS 6 Cb -0.10 -2.10 -0.01 0.00 -1.05 0.00 0.00 37.83 34.57 1s6u s LYS 6 CO 0.03 -0.02 -0.16 -1.64 1.55 0.00 0.00 175.35 175.11 1s6u s MET 7 N 0.84 3.29 -0.10 4.03 -1.94 0.37 -1.90 119.30 123.90 1s6u s MET 7 Ca -0.08 -0.74 -0.28 0.00 -1.71 0.00 0.00 55.69 52.87 1s6u s MET 7 Cb -0.15 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 1s6u s MET 7 CO -0.00 0.19 0.94 0.21 -0.01 0.00 0.00 175.02 176.35 1s6u s LYS 8 N 0.38 4.42 0.21 2.03 2.36 -0.83 -0.35 119.74 127.96 1s6u s LYS 8 Ca -0.13 1.28 0.07 0.00 -2.55 0.00 0.00 55.97 54.64 1s6u s LYS 8 Cb -0.16 -3.53 -0.04 0.00 -1.05 0.00 0.00 37.83 33.05 1s6u s LYS 8 CO 0.06 -0.24 0.07 0.14 1.55 0.00 0.00 175.35 176.94 1s6u s VAL 9 N 1.75 3.99 0.03 4.02 -7.23 -0.85 -0.14 120.40 121.99 1s6u s VAL 9 Ca 0.46 -1.45 0.07 0.00 -1.81 0.00 0.00 61.98 59.26 1s6u s VAL 9 Cb -0.18 -3.08 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 1s6u s VAL 9 CO 0.19 -0.22 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.93 1s6u s GLU 10 N -3.34 1.53 0.00 4.82 8.01 -1.12 -4.74 118.70 123.87 1s6u s GLU 10 Ca 0.30 -0.92 0.00 0.00 0.01 0.00 0.00 54.97 54.36 1s6u s GLU 10 Cb -0.09 -1.61 0.00 0.00 -4.31 0.00 0.00 34.13 28.13 1s6u s GLU 10 CO 0.21 0.42 0.00 0.41 0.01 0.00 0.00 175.26 176.31 1s6u n GLY 11 N 2.02 3.00 3.55 -1.39 0.00 -1.26 -4.31 105.19 106.81 1s6u n GLY 11 Ca -0.17 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1s6u n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6u s MET 12 N 0.00 2.41 -0.37 1.61 -1.94 -1.26 -4.77 119.30 114.98 1s6u s MET 12 Ca 0.00 0.81 0.13 0.00 -1.71 0.00 0.00 55.69 54.92 1s6u s MET 12 Cb 0.00 -4.50 0.38 0.00 2.01 0.00 0.00 34.83 32.72 1s6u s MET 12 CO 0.00 -3.01 0.88 2.41 -0.01 0.00 0.00 175.02 175.30 1s6u n THR 13 N 7.55 0.19 -3.44 2.05 -1.04 -1.26 -4.86 114.28 113.48 1s6u n THR 13 Ca 0.28 -3.57 -0.11 0.00 -2.04 0.00 0.00 64.05 58.60 1s6u n THR 13 Cb 0.52 0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 69.32 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u n HIS 15 N -0.33 0.09 0.06 0.00 -0.00 -1.26 -3.57 115.22 110.21 1s6u n HIS 15 Ca -0.15 -1.28 0.00 0.00 0.46 0.00 0.00 57.72 56.75 1s6u n HIS 15 Cb 0.64 -1.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 1s6u n HIS 15 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1s6u n SER 16 N 1.89 0.88 -0.08 0.26 7.64 -1.26 -4.52 113.62 118.43 1s6u n SER 16 Ca 0.21 0.19 -0.14 0.00 1.01 0.00 0.00 58.87 60.14 1s6u n SER 16 Cb 0.69 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 1s6u n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6u h THR 18 N -0.49 0.05 -0.47 0.00 1.03 -1.89 -2.36 112.91 108.78 1s6u h THR 18 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.46 1s6u h THR 18 Cb 0.64 0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 67.74 1s6u h THR 18 CO -0.52 0.00 0.30 -1.28 -0.01 0.00 0.00 175.52 174.01 1s6u h SER 19 N -0.82 0.55 -0.29 0.00 0.87 -1.65 0.25 113.55 112.45 1s6u h SER 19 Ca -0.02 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1s6u h SER 19 Cb 0.78 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.55 1s6u h SER 19 CO -0.20 0.42 -0.07 0.74 -0.53 0.00 0.00 176.83 177.19 1s6u h THR 20 N 0.63 0.71 -0.49 2.23 2.02 -0.72 0.13 112.91 117.42 1s6u h THR 20 Ca 0.17 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1s6u h THR 20 Cb -0.04 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1s6u h THR 20 CO -0.03 0.00 0.20 0.40 0.37 0.00 0.00 175.52 176.45 1s6u h ILE 21 N 0.00 1.21 -0.32 3.11 2.04 -0.76 0.47 117.51 123.26 1s6u h ILE 21 Ca 0.14 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1s6u h ILE 21 Cb 0.21 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1s6u h ILE 21 CO -0.30 0.25 -0.08 -0.33 0.00 0.00 0.00 178.15 177.68 1s6u h GLU 22 N 0.65 -0.01 0.43 2.37 5.08 0.08 0.19 114.58 123.39 1s6u h GLU 22 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1s6u h GLU 22 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1s6u h GLU 22 CO -0.01 -0.00 -0.43 0.78 -1.00 0.00 0.00 179.01 178.34 1s6u h GLY 23 N -0.01 -1.04 0.64 -3.84 0.00 -0.58 0.40 103.07 98.63 1s6u h GLY 23 Ca 0.15 0.50 0.02 0.00 0.00 0.00 0.00 47.33 48.00 1s6u h GLY 23 CO -0.33 -0.34 -0.15 1.70 0.00 0.00 0.00 176.54 177.42 1s6u h LYS 24 N -0.88 -0.25 -0.19 4.80 1.63 -0.19 0.76 116.57 122.25 1s6u h LYS 24 Ca -0.04 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1s6u h LYS 24 Cb 0.78 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1s6u h LYS 24 CO -0.06 -0.17 0.10 0.82 -3.45 0.00 0.00 179.45 176.69 1s6u h ILE 25 N -0.26 1.12 -1.01 2.00 1.08 -0.70 -1.99 117.51 117.75 1s6u h ILE 25 Ca 0.05 -0.33 0.24 0.00 -0.39 0.00 0.00 64.86 64.42 1s6u h ILE 25 Cb 0.32 1.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.95 1s6u h ILE 25 CO -0.14 0.11 0.60 1.23 -0.69 0.00 0.00 178.15 179.27 1s6u h GLY 26 N 0.18 1.84 2.00 5.37 0.00 -0.42 -0.17 103.07 111.87 1s6u h GLY 26 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1s6u h GLY 26 CO -0.01 -0.21 0.00 1.17 0.00 0.00 0.00 176.54 177.49 1s6u n LYS 27 N -4.85 0.17 -2.84 4.80 4.81 0.22 -4.81 118.16 115.65 1s6u n LYS 27 Ca 0.26 0.38 -0.41 0.00 -0.87 0.00 0.00 58.31 57.68 1s6u n LYS 27 Cb 0.73 -1.81 -0.04 0.00 0.02 0.00 0.00 35.03 33.92 1s6u n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1s6u s LEU 28 N -4.25 4.44 -0.86 3.14 1.43 -0.08 -4.97 118.68 117.54 1s6u s LEU 28 Ca 0.05 1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 54.50 1s6u s LEU 28 Cb 0.10 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1s6u s LEU 28 CO 0.38 -0.08 1.99 0.00 0.23 0.00 0.00 176.35 178.88 1s6u s GLN 29 N 0.23 2.46 0.00 1.70 -2.07 -1.26 -2.48 119.66 118.24 1s6u s GLN 29 Ca 0.44 -0.10 0.00 0.00 -1.82 0.00 0.00 55.36 53.88 1s6u s GLN 29 Cb -0.21 -4.96 0.00 0.00 -1.09 0.00 0.00 33.01 26.75 1s6u s GLN 29 CO 0.26 -3.42 0.00 0.41 -1.32 0.00 0.00 175.29 171.22 1s6u n GLY 30 N 6.72 0.46 3.86 2.60 0.00 -1.26 -4.36 105.19 113.20 1s6u n GLY 30 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1s6u n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6u s VAL 31 N 0.00 4.71 0.00 1.61 1.01 -1.03 -0.91 120.40 125.79 1s6u s VAL 31 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1s6u s VAL 31 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1s6u s VAL 31 CO 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.83 1s6u n GLN 32 N -0.59 0.67 -3.98 2.72 1.13 0.11 -4.90 117.38 112.53 1s6u n GLN 32 Ca 0.03 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.00 1s6u n GLN 32 Cb 0.53 -0.99 -0.04 0.00 0.11 0.00 0.00 30.24 29.85 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6u s ARG 33 N -1.98 1.63 -0.14 -1.09 3.52 -0.03 -5.03 118.95 115.84 1s6u s ARG 33 Ca 0.00 -1.27 -0.26 0.00 -0.13 0.00 0.00 55.73 54.07 1s6u s ARG 33 Cb 0.00 0.49 0.06 0.00 -1.56 0.00 0.00 34.95 33.95 1s6u s ARG 33 CO 0.00 -0.69 0.65 -1.50 -0.81 0.00 0.00 175.30 172.95 1s6u s ILE 34 N -3.86 0.00 -0.38 4.11 2.07 -1.26 -0.21 121.20 121.69 1s6u s ILE 34 Ca 0.22 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.44 1s6u s ILE 34 Cb -0.01 -0.94 0.15 0.00 0.13 0.00 0.00 42.46 41.79 1s6u s ILE 34 CO 0.10 -0.02 0.31 -0.54 -1.91 0.00 0.00 174.94 172.88 1s6u s LYS 35 N -0.45 0.66 -0.90 3.50 -0.14 0.63 -4.95 119.74 118.09 1s6u s LYS 35 Ca -0.06 -1.28 -0.15 0.00 -1.36 0.00 0.00 55.97 53.13 1s6u s LYS 35 Cb -0.03 -1.05 0.20 0.00 -1.68 0.00 0.00 37.83 35.27 1s6u s LYS 35 CO 0.05 -1.24 0.93 0.08 -0.76 0.00 0.00 175.35 174.41 1s6u s VAL 36 N 1.03 5.40 -0.13 3.17 1.01 -1.26 -0.68 120.40 128.93 1s6u s VAL 36 Ca 0.21 -2.35 -0.29 0.00 0.00 0.00 0.00 61.98 59.55 1s6u s VAL 36 Cb -0.15 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.63 1s6u s VAL 36 CO -0.04 -1.20 1.26 -0.44 0.00 0.00 0.00 175.10 174.69 1s6u s SER 37 N 2.48 6.96 -0.01 3.32 0.01 0.66 -4.92 113.70 122.20 1s6u s SER 37 Ca 0.24 1.74 -0.22 0.00 1.31 0.00 0.00 55.95 59.02 1s6u s SER 37 Cb -0.08 -2.54 -0.21 0.00 0.21 0.00 0.00 66.02 63.40 1s6u s SER 37 CO -0.09 -0.72 1.14 0.25 0.41 0.00 0.00 173.24 174.23 1s6u h LEU 38 N 9.35 0.33 -0.28 2.44 6.46 -1.90 0.11 115.31 131.82 1s6u h LEU 38 Ca -0.29 -0.68 0.04 0.00 -0.12 0.00 0.00 57.88 56.83 1s6u h LEU 38 Cb 1.12 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.88 1s6u h LEU 38 CO 0.95 0.96 -0.54 0.44 -0.62 0.00 0.00 178.44 179.63 1s6u h ASP 39 N -0.28 -1.75 -0.60 1.25 5.19 -1.93 0.83 116.42 119.13 1s6u h ASP 39 Ca -0.02 0.22 -0.20 0.00 -0.62 0.00 0.00 57.03 56.41 1s6u h ASP 39 Cb 0.97 0.71 -0.12 0.00 0.18 0.00 0.00 39.33 41.06 1s6u h ASP 39 CO 0.06 -0.44 0.25 -3.20 -3.12 0.00 0.00 179.24 172.79 1s6u n ASN 40 N -5.41 4.14 -2.24 6.45 5.15 -1.26 -4.95 115.26 117.14 1s6u n ASN 40 Ca -0.04 -2.97 -0.08 0.00 -0.60 0.00 0.00 54.58 50.88 1s6u n ASN 40 Cb 0.36 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 1s6u n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s6u n GLN 41 N -0.13 -0.42 -4.71 1.20 6.02 0.29 -4.91 117.38 114.71 1s6u n GLN 41 Ca 0.34 0.26 -0.24 0.00 -0.01 0.00 0.00 57.00 57.35 1s6u n GLN 41 Cb 1.19 -0.51 -0.16 0.00 1.02 0.00 0.00 30.24 31.78 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s6u s GLU 42 N -1.70 1.46 -0.36 -1.09 2.12 0.37 -2.00 118.70 117.50 1s6u s GLU 42 Ca 0.05 -0.52 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 1s6u s GLU 42 Cb -0.00 -1.32 0.09 0.00 0.26 0.00 0.00 34.13 33.16 1s6u s GLU 42 CO 0.22 0.24 0.10 0.00 -0.54 0.00 0.00 175.26 175.28 1s6u s ALA 43 N -0.03 2.99 -0.16 6.30 0.00 0.53 -0.25 121.76 131.14 1s6u s ALA 43 Ca -0.01 -2.35 -0.21 0.00 0.00 0.00 0.00 51.96 49.38 1s6u s ALA 43 Cb -0.09 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1s6u s ALA 43 CO 0.01 -1.64 0.63 0.99 0.00 0.00 0.00 175.76 175.75 1s6u s THR 44 N 1.09 5.05 -0.07 0.00 2.01 0.14 -0.48 115.64 123.38 1s6u s THR 44 Ca 0.06 1.21 0.04 0.00 0.31 0.00 0.00 61.69 63.31 1s6u s THR 44 Cb -0.21 -3.95 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 1s6u s THR 44 CO -0.05 0.17 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.22 1s6u s ILE 45 N 1.50 1.74 -0.32 1.82 1.09 0.19 -0.27 121.20 126.96 1s6u s ILE 45 Ca 0.30 -0.86 0.03 0.00 -1.10 0.00 0.00 60.65 59.01 1s6u s ILE 45 Cb -0.16 -1.50 0.09 0.00 -1.06 0.00 0.00 42.46 39.82 1s6u s ILE 45 CO 0.12 0.49 0.02 -0.69 -0.10 0.00 0.00 174.94 174.77 1s6u s VAL 46 N 0.19 2.40 0.13 2.92 1.01 0.71 -0.64 120.40 127.12 1s6u s VAL 46 Ca -0.10 -2.05 -0.00 0.00 0.00 0.00 0.00 61.98 59.82 1s6u s VAL 46 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1s6u s VAL 46 CO 0.05 -0.41 0.03 -0.72 0.00 0.00 0.00 175.10 174.06 1s6u s TYR 47 N 1.01 0.91 -0.41 5.22 1.13 0.25 -0.71 117.35 124.74 1s6u s TYR 47 Ca 0.04 -1.17 -0.17 0.00 -1.41 0.00 0.00 57.07 54.36 1s6u s TYR 47 Cb -0.20 -0.52 0.02 0.00 -1.10 0.00 0.00 41.96 40.16 1s6u s TYR 47 CO -0.06 -0.43 0.43 -1.14 -2.51 0.00 0.00 175.55 171.84 1s6u s GLN 48 N -4.00 3.15 -1.10 -3.49 0.74 -0.08 -0.63 119.66 114.24 1s6u s GLN 48 Ca 0.22 -0.71 -0.21 0.00 0.05 0.00 0.00 55.36 54.71 1s6u s GLN 48 Cb 0.07 -3.95 -0.08 0.00 1.10 0.00 0.00 33.01 30.15 1s6u s GLN 48 CO 0.01 -0.82 1.92 -0.35 -0.55 0.00 0.00 175.29 175.50 1s6u n PRO 49 N 5.58 1.88 0.00 1.67 -0.04 -1.26 -1.97 135.00 140.86 1s6u n PRO 49 Ca -0.07 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.97 1s6u n PRO 49 Cb 0.48 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 1s6u n PRO 49 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1s6u n HIS 50 N 11.07 -0.59 -0.01 0.54 -0.00 -1.26 -5.00 115.22 119.98 1s6u n HIS 50 Ca 0.47 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 58.00 1s6u n HIS 50 Cb 0.44 0.12 -0.14 0.00 -0.00 0.00 0.00 29.99 30.42 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1s6u h LEU 51 N 0.00 0.27 -8.53 0.27 3.38 -1.72 -3.47 115.31 105.52 1s6u h LEU 51 Ca 0.00 -0.89 -0.36 0.00 0.09 0.00 0.00 57.88 56.72 1s6u h LEU 51 Cb 0.00 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 40.48 1s6u h LEU 51 CO 0.00 1.36 -0.74 -0.51 0.09 0.00 0.00 178.44 178.64 1s6u s ILE 52 N -2.38 1.11 0.27 1.22 1.10 -1.24 -4.86 121.20 116.42 1s6u s ILE 52 Ca -0.18 -1.71 0.09 0.00 -0.51 0.00 0.00 60.65 58.34 1s6u s ILE 52 Cb 0.01 -1.47 -0.05 0.00 0.15 0.00 0.00 42.46 41.10 1s6u s ILE 52 CO 0.75 -0.52 -0.14 -0.94 -2.11 0.00 0.00 174.94 171.98 1s6u s SER 53 N -2.52 3.13 0.28 4.50 1.04 -1.26 -4.54 113.70 114.33 1s6u s SER 53 Ca 0.08 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 1s6u s SER 53 Cb -0.03 -0.23 0.63 0.00 0.10 0.00 0.00 66.02 66.49 1s6u s SER 53 CO 0.01 -0.14 1.64 0.58 0.98 0.00 0.00 173.24 176.31 1s6u h VAL 54 N 2.32 0.31 0.63 5.02 2.07 -2.00 -1.74 116.25 122.86 1s6u h VAL 54 Ca -0.40 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1s6u h VAL 54 Cb 1.24 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1s6u h VAL 54 CO 0.64 0.03 -0.30 -0.08 0.02 0.00 0.00 177.57 177.88 1s6u h GLU 55 N 0.17 -0.81 -0.94 1.57 4.22 -1.98 0.71 114.58 117.51 1s6u h GLU 55 Ca 0.51 0.06 0.09 0.00 0.08 0.00 0.00 59.36 60.10 1s6u h GLU 55 Cb 1.01 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 1s6u h GLU 55 CO -0.67 -0.52 -0.54 0.39 -2.18 0.00 0.00 179.01 175.49 1s6u n GLU 56 N -5.43 -0.40 0.03 1.92 -0.58 -0.91 0.48 120.64 115.76 1s6u n GLU 56 Ca -0.13 1.42 -0.11 0.00 -0.42 0.00 0.00 57.16 57.92 1s6u n GLU 56 Cb 0.35 -2.09 -0.07 0.00 -0.57 0.00 0.00 31.44 29.06 1s6u n GLU 56 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1s6u h MET 57 N 0.00 -0.46 0.69 3.49 2.86 -1.03 0.23 114.93 120.71 1s6u h MET 57 Ca 0.16 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1s6u h MET 57 Cb 0.40 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1s6u h MET 57 CO -0.89 -0.31 -0.36 -0.22 1.06 0.00 0.00 176.91 176.19 1s6u h LYS 58 N -0.48 -0.93 -0.94 1.72 3.64 0.61 0.13 116.57 120.32 1s6u h LYS 58 Ca 0.01 0.06 0.20 0.00 -1.27 0.00 0.00 60.65 59.66 1s6u h LYS 58 Cb 0.52 0.21 -0.18 0.00 -0.41 0.00 0.00 32.23 32.37 1s6u h LYS 58 CO -0.27 -0.62 -0.19 1.17 -2.27 0.00 0.00 179.45 177.27 1s6u n LYS 59 N -4.70 -0.08 -0.05 1.90 3.00 0.18 0.11 118.16 118.51 1s6u n LYS 59 Ca -0.12 1.46 -0.09 0.00 -0.00 0.00 0.00 58.31 59.56 1s6u n LYS 59 Cb 0.39 -2.20 0.08 0.00 0.00 0.00 0.00 35.03 33.29 1s6u n LYS 59 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1s6u h GLN 60 N 0.00 0.71 0.13 1.64 7.50 -0.66 -0.57 115.11 123.86 1s6u h GLN 60 Ca 0.47 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 59.28 1s6u h GLN 60 Cb 0.78 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.30 1s6u h GLN 60 CO -0.95 0.94 -0.06 0.82 -1.50 0.00 0.00 178.83 178.08 1s6u h ILE 61 N 0.59 0.00 -0.90 2.54 2.04 0.26 -3.30 117.51 118.74 1s6u h ILE 61 Ca 0.06 -0.20 0.37 0.00 1.00 0.00 0.00 64.86 66.10 1s6u h ILE 61 Cb 0.86 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.78 1s6u h ILE 61 CO 0.07 0.00 0.47 1.21 0.00 0.00 0.00 178.15 179.91 1s6u n GLU 62 N -3.02 -0.05 -0.35 2.37 2.13 0.30 -0.44 120.64 121.57 1s6u n GLU 62 Ca -0.02 1.24 0.27 0.00 0.66 0.00 0.00 57.16 59.32 1s6u n GLU 62 Cb 0.07 -2.23 0.57 0.00 0.27 0.00 0.00 31.44 30.12 1s6u n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s6u h ALA 63 N 1.80 2.46 -0.78 4.31 0.00 -1.17 0.22 119.26 126.10 1s6u h ALA 63 Ca 0.76 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.73 1s6u h ALA 63 Cb 2.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 1s6u h ALA 63 CO -0.70 -0.91 0.50 0.52 0.00 0.00 0.00 179.25 178.66 1s6u h MET 64 N 0.27 1.03 0.00 0.00 2.86 -0.91 -3.46 114.93 114.73 1s6u h MET 64 Ca 0.64 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.21 1s6u h MET 64 Cb 1.84 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1s6u h MET 64 CO -0.28 0.70 0.00 0.41 1.06 0.00 0.00 176.91 178.80 1s6u n GLY 65 N -1.37 1.05 3.61 8.32 0.00 0.77 -5.12 105.19 112.45 1s6u n GLY 65 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1s6u n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6u s PHE 66 N -0.58 3.15 0.39 1.61 0.08 -1.24 -5.02 117.98 116.37 1s6u s PHE 66 Ca 0.00 0.80 -0.27 0.00 0.12 0.00 0.00 56.93 57.58 1s6u s PHE 66 Cb 0.00 -3.40 -0.09 0.00 -0.57 0.00 0.00 43.02 38.96 1s6u s PHE 66 CO 0.00 -0.68 1.29 -1.25 -0.10 0.00 0.00 175.22 174.48 1s6u s PRO 67 N 3.17 4.08 -0.02 0.24 0.04 -1.26 -3.99 135.00 137.25 1s6u s PRO 67 Ca 0.35 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.55 1s6u s PRO 67 Cb -0.13 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1s6u s PRO 67 CO 0.15 -0.40 -0.07 0.00 0.04 0.00 0.00 177.00 176.72 1s6u s ALA 68 N -1.24 0.74 -0.98 8.56 0.00 -1.26 -2.78 121.76 124.79 1s6u s ALA 68 Ca 0.55 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 1s6u s ALA 68 Cb -0.38 -0.29 0.27 0.00 0.00 0.00 0.00 23.12 22.72 1s6u s ALA 68 CO 0.49 0.11 1.07 1.19 0.00 0.00 0.00 175.76 178.62 1s6u n PHE 69 N 3.33 3.93 -1.59 0.00 3.72 0.81 -4.90 117.46 122.75 1s6u n PHE 69 Ca -0.18 -3.65 -0.39 0.00 -0.05 0.00 0.00 57.45 53.18 1s6u n PHE 69 Cb 0.54 -1.27 -0.03 0.00 -0.94 0.00 0.00 39.48 37.78 1s6u n PHE 69 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1s6u s VAL 70 N -1.87 3.02 -0.44 -4.37 0.11 -1.26 -1.97 120.40 113.61 1s6u s VAL 70 Ca 0.31 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.45 1s6u s VAL 70 Cb -0.02 -3.04 0.33 0.00 -1.53 0.00 0.00 36.38 32.12 1s6u s VAL 70 CO -0.04 -0.03 1.04 2.29 -3.33 0.00 0.00 175.10 175.03 1s6u n LYS 71 N 8.90 1.01 -3.63 1.54 2.85 -0.80 -4.97 118.16 123.06 1s6u n LYS 71 Ca 0.33 -2.24 -0.10 0.00 -1.05 0.00 0.00 58.31 55.25 1s6u n LYS 71 Cb 0.50 -1.18 -0.03 0.00 -0.65 0.00 0.00 35.03 33.67 1s6u n LYS 71 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1s6u s LYS 72 N -0.31 1.28 -0.48 -1.58 2.47 -1.22 -4.91 119.74 115.00 1s6u s LYS 72 Ca 0.26 -0.73 0.06 0.00 -1.56 0.00 0.00 55.97 54.01 1s6u s LYS 72 Cb 0.30 0.53 0.24 0.00 -1.46 0.00 0.00 37.83 37.44 1s6u s LYS 72 CO -0.06 -0.54 0.83 1.51 0.16 0.00 0.00 175.35 177.25 1s6u n ILE 73 N -0.32 -0.11 -1.76 5.43 0.13 -1.26 -4.33 119.36 117.13 1s6u n ILE 73 Ca -0.13 -1.87 -0.41 0.00 -1.10 0.00 0.00 62.75 59.23 1s6u n ILE 73 Cb 0.63 0.95 -0.01 0.00 -0.84 0.00 0.00 39.64 40.37 1s6u n ILE 73 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1s6u n GLU 74 N 1.66 3.23 -1.34 9.51 1.02 -0.64 -4.95 120.64 129.13 1s6u n GLU 74 Ca 0.11 -2.72 -0.35 0.00 -0.02 0.00 0.00 57.16 54.18 1s6u n GLU 74 Cb 0.61 -3.10 0.11 0.00 -0.02 0.00 0.00 31.44 29.04 1s6u n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s6u n GLY 75 N 3.66 0.19 0.00 0.62 0.00 -1.26 -4.15 105.19 104.25 1s6u n GLY 75 Ca 0.56 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19