#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 -1.35 -4.54 1.61 0.00 -1.26 -4.85 120.64 110.24 1s6u n GLU 2 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 57.16 56.20 1s6u n GLU 2 Cb 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 31.44 30.68 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 -1.94 1.02 -0.20 3.84 1.01 0.35 -4.53 120.40 119.95 1s6u s VAL 3 Ca 0.29 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1s6u s VAL 3 Cb -0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1s6u s VAL 3 CO 0.22 0.24 0.08 -0.69 0.00 0.00 0.00 175.10 174.94 1s6u s VAL 4 N -0.39 4.79 0.14 2.92 1.01 -1.26 -0.70 120.40 126.91 1s6u s VAL 4 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1s6u s VAL 4 Cb -0.05 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1s6u s VAL 4 CO -0.00 0.42 -0.06 -1.48 0.00 0.00 0.00 175.10 173.98 1s6u s LEU 5 N 0.69 3.14 -0.16 3.92 0.05 -0.02 -0.76 118.68 125.56 1s6u s LEU 5 Ca 0.04 -0.40 0.01 0.00 0.05 0.00 0.00 54.13 53.83 1s6u s LEU 5 Cb -0.13 -1.87 0.02 0.00 -2.05 0.00 0.00 46.19 42.15 1s6u s LEU 5 CO 0.02 0.14 -0.18 -0.75 -0.55 0.00 0.00 176.35 175.03 1s6u s LYS 6 N -2.53 2.69 -0.11 1.48 2.47 -1.24 -1.44 119.74 121.06 1s6u s LYS 6 Ca 0.24 -0.72 -0.05 0.00 -1.56 0.00 0.00 55.97 53.88 1s6u s LYS 6 Cb -0.10 -2.33 -0.04 0.00 -1.46 0.00 0.00 37.83 33.90 1s6u s LYS 6 CO 0.16 -0.17 0.09 -1.64 0.16 0.00 0.00 175.35 173.95 1s6u s MET 7 N 1.25 3.33 0.05 4.03 -1.94 0.35 -1.88 119.30 124.49 1s6u s MET 7 Ca 0.02 -0.23 -0.26 0.00 -1.71 0.00 0.00 55.69 53.51 1s6u s MET 7 Cb -0.14 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.58 1s6u s MET 7 CO -0.09 0.73 0.80 0.21 -0.01 0.00 0.00 175.02 176.66 1s6u s LYS 8 N -0.91 4.53 0.03 2.03 2.20 -0.27 -0.02 119.74 127.33 1s6u s LYS 8 Ca 0.14 1.13 0.08 0.00 -0.36 0.00 0.00 55.97 56.96 1s6u s LYS 8 Cb -0.12 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1s6u s LYS 8 CO 0.03 0.27 -0.23 0.14 -0.36 0.00 0.00 175.35 175.20 1s6u s VAL 9 N -0.03 1.83 -0.03 4.02 -7.23 -0.11 -0.22 120.40 118.62 1s6u s VAL 9 Ca 0.40 -1.21 0.04 0.00 -1.81 0.00 0.00 61.98 59.40 1s6u s VAL 9 Cb -0.21 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1s6u s VAL 9 CO 0.24 0.31 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.58 1s6u s GLU 10 N -1.07 2.43 0.00 4.82 0.41 -1.19 -4.54 118.70 119.56 1s6u s GLU 10 Ca 0.09 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 1s6u s GLU 10 Cb -0.09 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 1s6u s GLU 10 CO 0.01 0.61 0.00 0.41 -0.49 0.00 0.00 175.26 175.80 1s6u n GLY 11 N 2.18 2.85 3.55 -1.39 0.00 -1.26 -4.49 105.19 106.64 1s6u n GLY 11 Ca -0.17 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 2.55 -0.28 1.61 -1.94 -1.26 -4.80 119.30 115.18 1s6u s MET 12 Ca 0.00 0.24 0.10 0.00 -1.71 0.00 0.00 55.69 54.32 1s6u s MET 12 Cb 0.00 -4.70 0.53 0.00 2.01 0.00 0.00 34.83 32.67 1s6u s MET 12 CO 0.00 -3.08 1.50 0.25 -0.01 0.00 0.00 175.02 173.68 1s6u n THR 13 N 7.57 2.56 -3.72 2.05 -2.24 -1.26 -4.89 114.28 114.35 1s6u n THR 13 Ca 0.30 -2.44 -0.10 0.00 -2.27 0.00 0.00 64.05 59.54 1s6u n THR 13 Cb 0.50 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6u n HIS 15 N -0.12 0.50 0.22 0.00 1.44 -1.26 -3.41 115.22 112.59 1s6u n HIS 15 Ca -0.16 0.16 -0.15 0.00 -2.01 0.00 0.00 57.72 55.57 1s6u n HIS 15 Cb 0.63 -0.77 -0.08 0.00 0.12 0.00 0.00 29.99 29.89 1s6u n HIS 15 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 1s6u h SER 16 N 0.00 -0.45 -0.11 4.39 0.02 -1.98 -1.04 113.55 114.38 1s6u h SER 16 Ca 0.00 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1s6u h SER 16 Cb 0.51 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1s6u h SER 16 CO 0.00 -0.21 -0.14 0.00 -1.14 0.00 0.00 176.83 175.34 1s6u h THR 18 N -0.18 0.04 -0.63 0.00 1.35 -1.62 0.21 112.91 112.09 1s6u h THR 18 Ca 0.08 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.99 1s6u h THR 18 Cb 0.30 0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 66.71 1s6u h THR 18 CO -0.21 0.00 0.36 -1.28 -0.25 0.00 0.00 175.52 174.14 1s6u h SER 19 N -0.81 0.55 -0.33 5.36 0.87 -0.99 0.14 113.55 118.34 1s6u h SER 19 Ca -0.02 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1s6u h SER 19 Cb 0.78 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1s6u h SER 19 CO -0.21 0.37 0.03 0.74 -0.53 0.00 0.00 176.83 177.24 1s6u h THR 20 N 0.68 0.80 0.00 2.23 2.02 -0.27 0.20 112.91 118.57 1s6u h THR 20 Ca 0.27 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 1s6u h THR 20 Cb 0.12 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1s6u h THR 20 CO -0.15 0.03 -0.00 0.40 0.37 0.00 0.00 175.52 176.16 1s6u h ILE 21 N 0.14 1.17 -0.68 3.11 2.04 -0.31 0.91 117.51 123.88 1s6u h ILE 21 Ca 0.16 -0.51 0.14 0.00 1.00 0.00 0.00 64.86 65.65 1s6u h ILE 21 Cb 0.19 1.52 -0.13 0.00 -0.74 0.00 0.00 36.82 37.66 1s6u h ILE 21 CO -0.23 0.13 -0.13 -0.33 0.00 0.00 0.00 178.15 177.58 1s6u h GLU 22 N -0.22 0.02 0.84 2.37 5.08 -0.45 0.17 114.58 122.39 1s6u h GLU 22 Ca -0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1s6u h GLU 22 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1s6u h GLU 22 CO 0.00 0.01 -0.45 0.78 -1.00 0.00 0.00 179.01 178.35 1s6u h GLY 23 N 0.02 -1.28 0.72 -3.84 0.00 -0.38 0.19 103.07 98.50 1s6u h GLY 23 Ca 0.34 0.50 -0.00 0.00 0.00 0.00 0.00 47.33 48.16 1s6u h GLY 23 CO -0.68 -0.45 -0.28 1.70 0.00 0.00 0.00 176.54 176.82 1s6u h LYS 24 N -1.19 -0.59 -0.08 4.80 1.63 -0.03 -2.74 116.57 118.37 1s6u h LYS 24 Ca -0.11 0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.60 1s6u h LYS 24 Cb 0.93 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 1s6u h LYS 24 CO 0.16 -0.39 -0.53 0.82 -3.45 0.00 0.00 179.45 176.05 1s6u h ILE 25 N -0.61 1.36 -0.97 2.00 1.08 -0.79 -2.25 117.51 117.33 1s6u h ILE 25 Ca -0.02 -1.81 0.27 0.00 -0.39 0.00 0.00 64.86 62.91 1s6u h ILE 25 Cb 0.55 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 36.14 1s6u h ILE 25 CO -0.04 0.54 0.68 1.23 -0.69 0.00 0.00 178.15 179.87 1s6u h GLY 26 N 1.40 0.22 1.36 5.37 0.00 -0.33 0.25 103.07 111.33 1s6u h GLY 26 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1s6u h GLY 26 CO 0.08 -0.01 0.00 1.17 0.00 0.00 0.00 176.54 177.78 1s6u n LYS 27 N -4.31 0.61 -2.22 4.80 4.81 -0.85 -4.83 118.16 116.17 1s6u n LYS 27 Ca 0.21 0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.24 1s6u n LYS 27 Cb 0.98 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.50 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 -2.36 4.41 -0.30 3.14 1.43 0.07 -4.98 118.68 120.09 1s6u s LEU 28 Ca 0.34 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.54 1s6u s LEU 28 Cb 0.20 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1s6u s LEU 28 CO 0.41 -0.53 1.22 -1.58 0.23 0.00 0.00 176.35 176.10 1s6u s GLN 29 N -0.03 3.98 0.00 1.70 0.74 -1.26 -3.35 119.66 121.45 1s6u s GLN 29 Ca 0.57 1.20 0.00 0.00 0.05 0.00 0.00 55.36 57.18 1s6u s GLN 29 Cb -0.36 -3.82 0.00 0.00 1.10 0.00 0.00 33.01 29.92 1s6u s GLN 29 CO 0.38 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 1s6u n GLY 30 N 4.13 0.90 3.85 2.59 0.00 -1.26 -4.43 105.19 110.97 1s6u n GLY 30 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1s6u n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6u s VAL 31 N -0.97 4.63 -0.14 1.61 0.11 -1.21 -1.03 120.40 123.40 1s6u s VAL 31 Ca 0.00 1.02 0.01 0.00 -2.93 0.00 0.00 61.98 60.08 1s6u s VAL 31 Cb 0.00 -3.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.13 1s6u s VAL 31 CO 0.00 -0.28 -0.12 0.00 -3.33 0.00 0.00 175.10 171.37 1s6u n GLN 32 N -0.61 0.34 -3.83 1.54 1.13 0.55 -4.86 117.38 111.65 1s6u n GLN 32 Ca 0.04 0.08 -0.06 0.00 -1.94 0.00 0.00 57.00 55.12 1s6u n GLN 32 Cb 0.53 -1.26 -0.01 0.00 0.11 0.00 0.00 30.24 29.62 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 -2.27 1.68 -0.16 -1.09 3.52 -0.04 -5.02 118.95 115.57 1s6u s ARG 33 Ca -0.18 -0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 54.22 1s6u s ARG 33 Cb 0.05 0.54 0.06 0.00 -1.56 0.00 0.00 34.95 34.04 1s6u s ARG 33 CO 0.31 -0.78 0.58 -1.50 -0.81 0.00 0.00 175.30 173.11 1s6u s ILE 34 N -3.33 0.01 -0.00 4.11 2.07 -1.26 -0.35 121.20 122.44 1s6u s ILE 34 Ca 0.13 -0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1s6u s ILE 34 Cb -0.04 -0.84 -0.00 0.00 0.13 0.00 0.00 42.46 41.70 1s6u s ILE 34 CO 0.06 -0.03 0.07 -0.54 -1.91 0.00 0.00 174.94 172.60 1s6u s LYS 35 N -0.19 0.31 0.02 3.50 -0.14 0.65 -4.97 119.74 118.92 1s6u s LYS 35 Ca -0.04 -0.29 0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1s6u s LYS 35 Cb -0.03 0.13 -0.02 0.00 -1.68 0.00 0.00 37.83 36.23 1s6u s LYS 35 CO 0.03 -0.06 -0.07 0.08 -0.76 0.00 0.00 175.35 174.57 1s6u s VAL 36 N -0.95 0.47 0.09 3.17 1.01 -1.26 0.44 120.40 123.37 1s6u s VAL 36 Ca -0.10 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.21 1s6u s VAL 36 Cb -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1s6u s VAL 36 CO 0.00 -0.20 -0.21 -0.44 0.00 0.00 0.00 175.10 174.25 1s6u s SER 37 N -1.02 2.56 -0.21 3.32 0.01 0.92 -4.99 113.70 114.29 1s6u s SER 37 Ca -0.06 -0.64 -0.16 0.00 1.31 0.00 0.00 55.95 56.40 1s6u s SER 37 Cb -0.07 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 1s6u s SER 37 CO 0.00 0.09 -0.32 -0.11 0.41 0.00 0.00 173.24 173.31 1s6u n LEU 38 N 1.30 1.93 0.03 2.44 7.94 -1.26 -1.45 117.00 127.94 1s6u n LEU 38 Ca -0.19 0.36 -0.14 0.00 -1.11 0.00 0.00 56.01 54.93 1s6u n LEU 38 Cb 0.53 -0.78 -0.08 0.00 0.53 0.00 0.00 43.42 43.62 1s6u n LEU 38 CO 0.23 -0.03 0.54 0.44 -1.11 0.00 0.00 177.39 177.46 1s6u h ASP 39 N -1.00 -1.51 -0.01 1.96 5.19 -1.97 0.14 116.42 119.22 1s6u h ASP 39 Ca -0.21 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1s6u h ASP 39 Cb 1.15 0.59 0.00 0.00 0.18 0.00 0.00 39.33 41.24 1s6u h ASP 39 CO -0.13 -0.48 0.00 -3.20 -3.12 0.00 0.00 179.24 172.31 1s6u n ASN 40 N -5.45 0.78 -3.74 6.45 2.85 -1.26 -4.96 115.26 109.93 1s6u n ASN 40 Ca -0.06 -1.28 -0.25 0.00 -0.11 0.00 0.00 54.58 52.88 1s6u n ASN 40 Cb 0.38 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.40 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1s6u n GLN 41 N -0.38 -1.58 -3.93 1.20 7.27 0.48 -4.82 117.38 115.62 1s6u n GLN 41 Ca 0.21 0.85 -0.10 0.00 0.07 0.00 0.00 57.00 58.03 1s6u n GLN 41 Cb 0.23 -2.41 -0.12 0.00 2.41 0.00 0.00 30.24 30.35 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1s6u s GLU 42 N -4.63 0.19 -0.19 3.69 2.12 -0.53 -0.93 118.70 118.42 1s6u s GLU 42 Ca 0.04 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.03 1s6u s GLU 42 Cb -0.00 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.50 1s6u s GLU 42 CO 0.89 -0.03 -0.04 0.00 -0.54 0.00 0.00 175.26 175.54 1s6u s ALA 43 N -0.81 1.56 -0.28 6.30 0.00 0.96 -0.05 121.76 129.44 1s6u s ALA 43 Ca -0.09 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 1s6u s ALA 43 Cb -0.06 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1s6u s ALA 43 CO -0.00 -0.94 0.66 0.99 0.00 0.00 0.00 175.76 176.47 1s6u s THR 44 N 1.59 4.93 -0.13 0.00 2.01 0.17 -0.50 115.64 123.72 1s6u s THR 44 Ca -0.01 1.07 0.02 0.00 0.31 0.00 0.00 61.69 63.08 1s6u s THR 44 Cb -0.16 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.36 1s6u s THR 44 CO -0.07 -0.07 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.96 1s6u s ILE 45 N 2.62 1.88 -0.32 1.82 1.09 -0.52 -0.26 121.20 127.52 1s6u s ILE 45 Ca 0.27 -0.87 0.02 0.00 -1.10 0.00 0.00 60.65 58.97 1s6u s ILE 45 Cb -0.15 -1.68 0.08 0.00 -1.06 0.00 0.00 42.46 39.65 1s6u s ILE 45 CO 0.10 0.51 0.01 -0.69 -0.10 0.00 0.00 174.94 174.78 1s6u s VAL 46 N 0.91 2.49 0.18 2.92 1.01 0.53 -0.84 120.40 127.60 1s6u s VAL 46 Ca -0.06 -1.93 -0.00 0.00 0.00 0.00 0.00 61.98 59.99 1s6u s VAL 46 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1s6u s VAL 46 CO -0.03 -0.35 0.08 -0.72 0.00 0.00 0.00 175.10 174.08 1s6u s TYR 47 N 1.05 1.14 -0.42 5.22 1.13 0.12 -0.33 117.35 125.27 1s6u s TYR 47 Ca 0.02 -1.23 -0.14 0.00 -1.41 0.00 0.00 57.07 54.31 1s6u s TYR 47 Cb -0.20 -0.62 0.05 0.00 -1.10 0.00 0.00 41.96 40.08 1s6u s TYR 47 CO -0.05 -0.47 0.31 -1.14 -2.51 0.00 0.00 175.55 171.68 1s6u s GLN 48 N -4.06 2.89 -1.09 -3.49 2.00 -0.20 -0.50 119.66 115.22 1s6u s GLN 48 Ca 0.31 -1.20 -0.23 0.00 -2.00 0.00 0.00 55.36 52.25 1s6u s GLN 48 Cb 0.07 -3.95 -0.06 0.00 0.80 0.00 0.00 33.01 29.87 1s6u s GLN 48 CO 0.08 -0.86 1.91 -1.25 -0.50 0.00 0.00 175.29 174.67 1s6u s PRO 49 N 1.61 2.63 0.00 1.67 0.04 -1.26 -1.93 135.00 137.76 1s6u s PRO 49 Ca 0.04 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1s6u s PRO 49 Cb -0.21 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1s6u s PRO 49 CO 0.07 -3.63 0.00 0.72 0.04 0.00 0.00 177.00 174.20 1s6u n HIS 50 N 13.73 0.00 -0.05 0.56 8.25 -1.26 -5.00 115.22 131.45 1s6u n HIS 50 Ca 0.43 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.77 1s6u n HIS 50 Cb 0.47 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.47 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s6u h LEU 51 N 0.00 -0.02 -9.16 2.41 3.38 -1.70 -3.48 115.31 106.74 1s6u h LEU 51 Ca 0.00 -0.75 -0.49 0.00 0.09 0.00 0.00 57.88 56.73 1s6u h LEU 51 Cb 0.00 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 1s6u h LEU 51 CO 0.00 0.80 -0.52 -0.51 0.09 0.00 0.00 178.44 178.30 1s6u s ILE 52 N -2.60 0.36 0.26 1.22 1.10 -1.24 -4.88 121.20 115.43 1s6u s ILE 52 Ca -0.16 -2.00 0.02 0.00 -0.51 0.00 0.00 60.65 58.00 1s6u s ILE 52 Cb -0.02 -2.44 -0.04 0.00 0.15 0.00 0.00 42.46 40.11 1s6u s ILE 52 CO 0.60 0.00 0.14 -0.94 -2.11 0.00 0.00 174.94 172.62 1s6u s SER 53 N -3.47 1.07 0.43 4.50 1.04 -1.26 -4.52 113.70 111.48 1s6u s SER 53 Ca 0.32 -1.46 0.22 0.00 0.48 0.00 0.00 55.95 55.51 1s6u s SER 53 Cb 0.03 0.31 1.20 0.00 0.10 0.00 0.00 66.02 67.67 1s6u s SER 53 CO 0.19 -0.83 1.77 0.58 0.98 0.00 0.00 173.24 175.93 1s6u h VAL 54 N 2.37 0.47 -0.10 5.02 2.07 -1.99 -2.72 116.25 121.37 1s6u h VAL 54 Ca -0.35 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1s6u h VAL 54 Cb 1.25 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1s6u h VAL 54 CO 0.55 0.06 -0.10 -0.08 0.02 0.00 0.00 177.57 178.01 1s6u h GLU 55 N 0.30 0.24 0.02 1.57 4.22 -1.98 0.15 114.58 119.11 1s6u h GLU 55 Ca 0.60 -0.13 0.01 0.00 0.08 0.00 0.00 59.36 59.93 1s6u h GLU 55 Cb 1.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1s6u h GLU 55 CO -0.26 0.67 -0.09 1.49 -2.18 0.00 0.00 179.01 178.64 1s6u h GLU 56 N -0.17 -0.16 -0.27 1.92 4.22 -1.95 0.38 114.58 118.55 1s6u h GLU 56 Ca 0.02 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.51 1s6u h GLU 56 Cb 0.62 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 1s6u h GLU 56 CO 0.03 -0.11 -0.55 0.52 -2.18 0.00 0.00 179.01 176.72 1s6u h MET 57 N -0.16 -0.47 0.75 1.92 2.86 -1.32 0.13 114.93 118.63 1s6u h MET 57 Ca 0.03 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1s6u h MET 57 Cb 0.20 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1s6u h MET 57 CO -0.08 -0.31 -0.45 -0.22 1.06 0.00 0.00 176.91 176.91 1s6u h LYS 58 N -0.49 -1.08 -0.75 1.72 3.64 -0.34 0.04 116.57 119.31 1s6u h LYS 58 Ca 0.06 0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.66 1s6u h LYS 58 Cb 0.64 0.25 -0.14 0.00 -0.41 0.00 0.00 32.23 32.56 1s6u h LYS 58 CO -0.52 -0.72 -0.23 -0.22 -2.27 0.00 0.00 179.45 175.50 1s6u h LYS 59 N -1.12 -0.03 -0.35 1.90 1.63 -0.01 0.80 116.57 119.40 1s6u h LYS 59 Ca -0.10 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1s6u h LYS 59 Cb 0.90 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 1s6u h LYS 59 CO 0.10 -0.02 0.13 1.96 -3.45 0.00 0.00 179.45 178.18 1s6u h GLN 60 N -0.03 0.52 0.19 1.90 1.08 -0.62 0.23 115.11 118.38 1s6u h GLN 60 Ca 0.35 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 1s6u h GLN 60 Cb 0.56 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1s6u h GLN 60 CO -0.79 0.52 -0.09 0.82 -0.95 0.00 0.00 178.83 178.35 1s6u h ILE 61 N 0.41 0.00 -1.06 2.54 2.04 0.13 -3.21 117.51 118.37 1s6u h ILE 61 Ca 0.11 -0.15 0.33 0.00 1.00 0.00 0.00 64.86 66.15 1s6u h ILE 61 Cb 0.20 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.15 1s6u h ILE 61 CO -0.01 0.00 0.63 -0.33 0.00 0.00 0.00 178.15 178.45 1s6u h GLU 62 N -0.41 0.31 -0.63 2.37 5.08 0.35 0.95 114.58 122.60 1s6u h GLU 62 Ca -0.03 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1s6u h GLU 62 Cb 0.19 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1s6u h GLU 62 CO 0.04 0.20 0.43 0.00 -1.00 0.00 0.00 179.01 178.69 1s6u h ALA 63 N 1.76 2.21 -0.93 3.43 0.00 -0.96 0.18 119.26 124.95 1s6u h ALA 63 Ca 0.72 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.73 1s6u h ALA 63 Cb 1.76 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 1s6u h ALA 63 CO -0.52 -0.37 0.56 0.52 0.00 0.00 0.00 179.25 179.45 1s6u h MET 64 N 0.28 0.89 0.00 0.00 2.86 -0.80 -3.46 114.93 114.69 1s6u h MET 64 Ca 0.30 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1s6u h MET 64 Cb 0.81 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1s6u h MET 64 CO -0.07 0.59 0.00 0.41 1.06 0.00 0.00 176.91 178.90 1s6u n GLY 65 N -1.34 1.05 3.62 8.32 0.00 0.64 -5.12 105.19 112.37 1s6u n GLY 65 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.18 2.83 0.27 1.61 0.08 -1.24 -5.00 117.98 116.35 1s6u s PHE 66 Ca 0.00 0.91 -0.30 0.00 0.12 0.00 0.00 56.93 57.66 1s6u s PHE 66 Cb 0.00 -4.03 -0.10 0.00 -0.57 0.00 0.00 43.02 38.32 1s6u s PHE 66 CO 0.00 -1.33 1.38 -1.25 -0.10 0.00 0.00 175.22 173.91 1s6u s PRO 67 N 4.17 4.31 -0.05 0.24 0.04 -1.26 -3.96 135.00 138.49 1s6u s PRO 67 Ca 0.51 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.82 1s6u s PRO 67 Cb -0.12 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1s6u s PRO 67 CO 0.24 -0.32 -0.10 0.00 0.04 0.00 0.00 177.00 176.86 1s6u s ALA 68 N -0.41 1.08 -1.03 8.56 0.00 -1.26 -3.14 121.76 125.55 1s6u s ALA 68 Ca 0.55 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1s6u s ALA 68 Cb -0.40 -0.48 0.27 0.00 0.00 0.00 0.00 23.12 22.51 1s6u s ALA 68 CO 0.46 0.11 1.09 1.19 0.00 0.00 0.00 175.76 178.61 1s6u n PHE 69 N 3.68 4.31 -1.72 0.00 3.72 0.70 -4.92 117.46 123.23 1s6u n PHE 69 Ca -0.22 -3.71 -0.42 0.00 -0.05 0.00 0.00 57.45 53.05 1s6u n PHE 69 Cb 0.52 -1.41 -0.03 0.00 -0.94 0.00 0.00 39.48 37.62 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 -1.69 3.14 -0.41 -4.37 0.11 -1.26 -1.12 120.40 114.80 1s6u s VAL 70 Ca 0.31 0.14 0.09 0.00 -2.93 0.00 0.00 61.98 59.58 1s6u s VAL 70 Cb -0.05 -3.22 0.36 0.00 -1.53 0.00 0.00 36.38 31.94 1s6u s VAL 70 CO -0.05 -0.16 1.14 2.29 -3.33 0.00 0.00 175.10 174.99 1s6u n LYS 71 N 8.74 1.09 -3.53 1.54 2.85 -0.79 -4.97 118.16 123.10 1s6u n LYS 71 Ca 0.29 -2.20 -0.13 0.00 -1.05 0.00 0.00 58.31 55.22 1s6u n LYS 71 Cb 0.47 -0.78 -0.04 0.00 -0.65 0.00 0.00 35.03 34.03 1s6u n LYS 71 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1s6u s LYS 72 N -0.42 1.13 -0.39 -1.58 -0.14 -1.19 -4.91 119.74 112.24 1s6u s LYS 72 Ca 0.25 -0.38 0.11 0.00 -1.36 0.00 0.00 55.97 54.59 1s6u s LYS 72 Cb 0.35 0.52 0.37 0.00 -1.68 0.00 0.00 37.83 37.39 1s6u s LYS 72 CO -0.06 -0.44 0.95 1.51 -0.76 0.00 0.00 175.35 176.55 1s6u n ILE 73 N 0.04 0.12 -1.49 2.17 0.13 -1.26 -3.69 119.36 115.37 1s6u n ILE 73 Ca -0.17 -3.11 -0.39 0.00 -1.10 0.00 0.00 62.75 57.98 1s6u n ILE 73 Cb 0.62 0.54 -0.02 0.00 -0.84 0.00 0.00 39.64 39.94 1s6u n ILE 73 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1s6u n GLU 74 N 0.13 3.89 -1.39 9.51 2.13 0.07 -4.90 120.64 130.08 1s6u n GLU 74 Ca 0.14 -2.52 -0.52 0.00 0.66 0.00 0.00 57.16 54.91 1s6u n GLU 74 Cb 0.72 -2.78 -0.09 0.00 0.27 0.00 0.00 31.44 29.57 1s6u n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s6u n GLY 75 N 3.15 0.19 0.00 8.31 0.00 -1.25 -4.02 105.19 111.56 1s6u n GLY 75 Ca 0.74 1.00 0.12 0.00 0.00 0.00 0.00 46.02 47.88 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19