#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 1.07 -5.16 1.61 4.71 -1.26 -4.73 120.64 116.88 1s6u n GLU 2 Ca 0.00 0.38 -0.32 0.00 -0.01 0.00 0.00 57.16 57.21 1s6u n GLU 2 Cb 0.00 -1.77 -0.16 0.00 -1.01 0.00 0.00 31.44 28.50 1s6u n GLU 2 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1s6u s VAL 3 N -1.23 2.27 -0.31 2.62 -7.23 0.24 -4.19 120.40 112.56 1s6u s VAL 3 Ca 0.62 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 59.54 1s6u s VAL 3 Cb -0.64 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 34.45 1s6u s VAL 3 CO 0.58 0.56 0.98 0.54 -0.31 0.00 0.00 175.10 177.46 1s6u s VAL 4 N 0.02 4.60 -0.27 1.32 0.11 0.58 -1.04 120.40 125.72 1s6u s VAL 4 Ca -0.08 1.57 -0.14 0.00 -2.93 0.00 0.00 61.98 60.40 1s6u s VAL 4 Cb -0.15 -4.33 -0.04 0.00 -1.53 0.00 0.00 36.38 30.33 1s6u s VAL 4 CO 0.05 -0.40 0.32 -0.22 -3.33 0.00 0.00 175.10 171.52 1s6u s LEU 5 N 3.42 4.04 -0.22 2.54 0.20 0.66 -1.68 118.68 127.65 1s6u s LEU 5 Ca 0.41 0.22 -0.02 0.00 0.69 0.00 0.00 54.13 55.43 1s6u s LEU 5 Cb -0.13 -2.34 0.01 0.00 -0.43 0.00 0.00 46.19 43.30 1s6u s LEU 5 CO 0.14 -0.13 -0.08 -0.75 -0.29 0.00 0.00 176.35 175.24 1s6u s LYS 6 N 1.90 3.16 -0.06 1.98 2.36 -1.20 -0.79 119.74 127.09 1s6u s LYS 6 Ca 0.13 -0.76 0.03 0.00 -2.55 0.00 0.00 55.97 52.82 1s6u s LYS 6 Cb -0.16 -2.92 -0.03 0.00 -1.05 0.00 0.00 37.83 33.68 1s6u s LYS 6 CO 0.10 -0.25 -0.13 0.00 1.55 0.00 0.00 175.35 176.61 1s6u s MET 7 N 1.40 2.62 0.63 4.03 0.23 -0.39 -2.27 119.30 125.56 1s6u s MET 7 Ca 0.04 -0.68 -0.15 0.00 -1.03 0.00 0.00 55.69 53.87 1s6u s MET 7 Cb -0.15 -2.43 -0.02 0.00 -1.53 0.00 0.00 34.83 30.71 1s6u s MET 7 CO -0.06 0.58 1.08 0.15 -2.03 0.00 0.00 175.02 174.75 1s6u s LYS 8 N -0.62 3.05 0.01 3.16 3.01 -1.15 -0.46 119.74 126.73 1s6u s LYS 8 Ca 0.09 1.25 0.01 0.00 -1.01 0.00 0.00 55.97 56.31 1s6u s LYS 8 Cb -0.11 -1.99 -0.01 0.00 -1.01 0.00 0.00 37.83 34.71 1s6u s LYS 8 CO 0.01 -1.03 -0.03 0.14 0.51 0.00 0.00 175.35 174.94 1s6u s VAL 9 N -2.48 0.22 0.13 3.17 -7.23 -0.69 -0.62 120.40 112.91 1s6u s VAL 9 Ca 0.64 -0.34 -0.02 0.00 -1.81 0.00 0.00 61.98 60.46 1s6u s VAL 9 Cb -0.18 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 1s6u s VAL 9 CO 0.41 -0.08 0.31 -1.61 -0.31 0.00 0.00 175.10 173.83 1s6u s GLU 10 N -0.44 3.52 0.00 4.82 0.41 -1.16 -4.32 118.70 121.53 1s6u s GLU 10 Ca -0.03 -0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 1s6u s GLU 10 Cb -0.03 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 1s6u s GLU 10 CO -0.00 0.50 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 1s6u n GLY 11 N -0.08 1.77 3.56 -1.39 0.00 -1.26 -4.74 105.19 103.05 1s6u n GLY 11 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 2.05 -0.40 1.61 -1.94 -1.26 -4.71 119.30 114.65 1s6u s MET 12 Ca 0.00 0.28 0.10 0.00 -1.71 0.00 0.00 55.69 54.36 1s6u s MET 12 Cb 0.00 -4.85 0.33 0.00 2.01 0.00 0.00 34.83 32.32 1s6u s MET 12 CO 0.00 -3.86 0.83 2.41 -0.01 0.00 0.00 175.02 174.39 1s6u n THR 13 N 8.29 -0.16 -3.47 2.05 -1.04 -1.26 -4.48 114.28 114.21 1s6u n THR 13 Ca 0.42 -3.56 -0.12 0.00 -2.04 0.00 0.00 64.05 58.75 1s6u n THR 13 Cb 0.46 0.16 -0.03 0.00 -1.82 0.00 0.00 70.33 69.10 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 -0.03 0.98 0.08 0.00 8.25 -1.26 -3.68 115.22 119.57 1s6u n HIS 15 Ca -0.15 -2.04 0.00 0.00 -0.26 0.00 0.00 57.72 55.27 1s6u n HIS 15 Cb 0.62 -1.87 0.00 0.00 1.12 0.00 0.00 29.99 29.86 1s6u n HIS 15 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1s6u n SER 16 N 3.06 0.01 0.23 0.41 7.64 -1.26 -4.76 113.62 118.95 1s6u n SER 16 Ca 0.54 0.27 -0.16 0.00 1.01 0.00 0.00 58.87 60.53 1s6u n SER 16 Cb 0.56 0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.74 0.27 -0.73 0.00 1.03 -1.90 -1.36 112.91 109.48 1s6u h THR 18 Ca -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.38 1s6u h THR 18 Cb 0.67 0.27 -0.04 0.00 -1.07 0.00 0.00 68.15 67.98 1s6u h THR 18 CO -0.06 0.00 0.48 -1.28 -0.01 0.00 0.00 175.52 174.65 1s6u h SER 19 N -0.42 0.83 -0.03 0.00 0.87 -1.78 0.25 113.55 113.26 1s6u h SER 19 Ca 0.09 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1s6u h SER 19 Cb 0.56 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1s6u h SER 19 CO -0.34 0.60 -0.14 0.74 -0.53 0.00 0.00 176.83 177.15 1s6u h THR 20 N 0.97 0.64 -0.16 2.23 2.02 -0.40 0.12 112.91 118.34 1s6u h THR 20 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1s6u h THR 20 Cb -0.10 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1s6u h THR 20 CO -0.06 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.32 1s6u h ILE 21 N -0.22 1.08 -0.31 3.11 2.04 -0.37 -0.29 117.51 122.55 1s6u h ILE 21 Ca 0.06 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1s6u h ILE 21 Cb 0.30 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1s6u h ILE 21 CO -0.16 0.07 0.02 -0.33 0.00 0.00 0.00 178.15 177.75 1s6u h GLU 22 N 0.18 0.12 -0.12 2.37 5.08 -0.19 0.36 114.58 122.37 1s6u h GLU 22 Ca 0.06 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1s6u h GLU 22 Cb 0.04 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1s6u h GLU 22 CO -0.01 0.08 -0.21 0.78 -1.00 0.00 0.00 179.01 178.64 1s6u h GLY 23 N 0.12 -0.20 0.63 -3.84 0.00 -0.62 0.15 103.07 99.31 1s6u h GLY 23 Ca 0.15 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1s6u h GLY 23 CO -0.23 -0.19 -0.30 1.70 0.00 0.00 0.00 176.54 177.53 1s6u h LYS 24 N -0.27 -0.81 -0.19 4.80 3.11 -0.16 -3.24 116.57 119.80 1s6u h LYS 24 Ca 0.10 0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.94 1s6u h LYS 24 Cb 0.42 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1s6u h LYS 24 CO -0.28 -0.54 -0.13 0.82 -2.81 0.00 0.00 179.45 176.51 1s6u h ILE 25 N -1.10 1.19 -1.10 2.00 1.08 -0.38 -0.01 117.51 119.19 1s6u h ILE 25 Ca -0.09 -0.85 0.32 0.00 -0.39 0.00 0.00 64.86 63.85 1s6u h ILE 25 Cb 0.65 1.19 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 1s6u h ILE 25 CO 0.14 0.27 0.79 1.23 -0.69 0.00 0.00 178.15 179.89 1s6u h GLY 26 N 0.81 0.13 -1.93 5.37 0.00 -0.75 -0.10 103.07 106.60 1s6u h GLY 26 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1s6u h GLY 26 CO 0.02 -0.01 0.00 1.17 0.00 0.00 0.00 176.54 177.72 1s6u n LYS 27 N -4.25 2.25 -2.14 4.80 4.81 -0.02 -4.94 118.16 118.67 1s6u n LYS 27 Ca 0.24 -1.87 -0.34 0.00 -0.87 0.00 0.00 58.31 55.47 1s6u n LYS 27 Cb 1.14 -1.42 0.01 0.00 0.02 0.00 0.00 35.03 34.78 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 -1.04 3.64 -1.14 3.14 1.43 -0.05 -4.98 118.68 119.68 1s6u s LEU 28 Ca 0.35 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.37 1s6u s LEU 28 Cb 0.18 -4.56 0.19 0.00 0.03 0.00 0.00 46.19 42.03 1s6u s LEU 28 CO 0.23 -1.26 1.30 0.00 0.23 0.00 0.00 176.35 176.85 1s6u s GLN 29 N -3.58 4.05 0.00 1.70 -2.07 -1.26 -3.75 119.66 114.74 1s6u s GLN 29 Ca 0.69 -2.64 0.00 0.00 -1.82 0.00 0.00 55.36 51.59 1s6u s GLN 29 Cb -0.21 -4.90 0.00 0.00 -1.09 0.00 0.00 33.01 26.81 1s6u s GLN 29 CO 0.31 -1.62 0.00 0.41 -1.32 0.00 0.00 175.29 173.07 1s6u n GLY 30 N 3.91 0.38 3.82 2.60 0.00 -1.26 -4.44 105.19 110.20 1s6u n GLY 30 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 4.27 -0.01 1.61 1.01 -1.25 -0.93 120.40 125.10 1s6u s VAL 31 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1s6u s VAL 31 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1s6u s VAL 31 CO 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 175.10 174.69 1s6u n GLN 32 N -1.03 1.90 -3.91 2.72 1.13 0.10 -4.87 117.38 113.43 1s6u n GLN 32 Ca 0.07 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.05 1s6u n GLN 32 Cb 0.54 -1.02 -0.04 0.00 0.11 0.00 0.00 30.24 29.82 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 -2.02 1.61 -0.23 -1.09 3.52 -0.12 -5.03 118.95 115.59 1s6u s ARG 33 Ca -0.01 -1.10 -0.21 0.00 -0.13 0.00 0.00 55.73 54.29 1s6u s ARG 33 Cb 0.00 0.53 0.06 0.00 -1.56 0.00 0.00 34.95 33.98 1s6u s ARG 33 CO 0.03 -0.70 0.61 -1.50 -0.81 0.00 0.00 175.30 172.93 1s6u s ILE 34 N -3.96 -0.00 -0.35 4.11 2.07 -1.26 0.14 121.20 121.95 1s6u s ILE 34 Ca 0.16 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.40 1s6u s ILE 34 Cb -0.03 -0.85 0.14 0.00 0.13 0.00 0.00 42.46 41.85 1s6u s ILE 34 CO 0.06 0.00 0.21 -0.54 -1.91 0.00 0.00 174.94 172.76 1s6u s LYS 35 N 0.43 0.53 -0.49 3.50 -0.14 0.66 -4.96 119.74 119.26 1s6u s LYS 35 Ca -0.01 -1.28 -0.21 0.00 -1.36 0.00 0.00 55.97 53.12 1s6u s LYS 35 Cb -0.04 -1.30 0.04 0.00 -1.68 0.00 0.00 37.83 34.85 1s6u s LYS 35 CO -0.01 -1.20 0.70 0.08 -0.76 0.00 0.00 175.35 174.16 1s6u s VAL 36 N 1.14 4.76 0.97 3.17 1.01 -1.26 -0.49 120.40 129.70 1s6u s VAL 36 Ca 0.17 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1s6u s VAL 36 Cb -0.23 -4.32 0.21 0.00 0.00 0.00 0.00 36.38 32.05 1s6u s VAL 36 CO -0.01 -0.81 1.33 -0.44 0.00 0.00 0.00 175.10 175.17 1s6u s SER 37 N 2.51 2.99 0.00 3.32 0.01 0.83 -4.92 113.70 118.45 1s6u s SER 37 Ca 0.21 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1s6u s SER 37 Cb -0.16 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1s6u s SER 37 CO 0.16 -2.80 0.00 0.00 0.41 0.00 0.00 173.24 171.00 1s6u n LEU 38 N -3.79 0.00 -0.09 2.44 -0.00 -1.26 -4.21 117.00 110.09 1s6u n LEU 38 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.04 1s6u n LEU 38 Cb 0.59 0.05 -0.08 0.00 -0.00 0.00 0.00 43.42 43.97 1s6u n LEU 38 CO 0.44 -0.37 0.52 0.44 -0.00 0.00 0.00 177.39 178.43 1s6u h ASP 39 N 0.00 -1.70 -0.36 1.45 5.19 -1.94 -0.11 116.42 118.96 1s6u h ASP 39 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1s6u h ASP 39 Cb 0.00 0.70 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1s6u h ASP 39 CO 0.00 -0.42 0.00 -3.20 -3.12 0.00 0.00 179.24 172.50 1s6u n ASN 40 N -5.41 2.39 -3.87 6.45 5.15 -1.26 -4.94 115.26 113.77 1s6u n ASN 40 Ca -0.03 -2.12 -0.36 0.00 -0.60 0.00 0.00 54.58 51.46 1s6u n ASN 40 Cb 0.36 -0.34 0.02 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.54 -0.83 -3.85 1.20 6.02 -0.05 -4.93 117.38 115.47 1s6u n GLN 41 Ca 0.13 0.39 -0.11 0.00 -0.01 0.00 0.00 57.00 57.40 1s6u n GLN 41 Cb 0.43 -3.02 -0.09 0.00 1.02 0.00 0.00 30.24 28.57 1s6u n GLN 41 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s6u s GLU 42 N -6.30 0.56 -0.04 -1.09 2.02 -1.26 -1.70 118.70 110.89 1s6u s GLU 42 Ca 0.36 -0.43 -0.01 0.00 0.02 0.00 0.00 54.97 54.91 1s6u s GLU 42 Cb -0.17 0.24 0.03 0.00 0.10 0.00 0.00 34.13 34.33 1s6u s GLU 42 CO 0.92 -0.14 0.07 0.00 0.02 0.00 0.00 175.26 176.12 1s6u s ALA 43 N -1.66 0.05 -0.24 5.21 0.00 0.39 -0.12 121.76 125.40 1s6u s ALA 43 Ca -0.12 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 1s6u s ALA 43 Cb -0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1s6u s ALA 43 CO 0.01 -0.28 0.04 0.99 0.00 0.00 0.00 175.76 176.51 1s6u s THR 44 N 1.57 4.09 -0.20 0.00 2.01 0.36 -1.26 115.64 122.20 1s6u s THR 44 Ca -0.03 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1s6u s THR 44 Cb -0.12 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.53 1s6u s THR 44 CO -0.04 0.37 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.49 1s6u s ILE 45 N 1.50 1.86 -0.38 1.82 1.09 0.03 -0.25 121.20 126.87 1s6u s ILE 45 Ca 0.06 -1.04 -0.11 0.00 -1.10 0.00 0.00 60.65 58.46 1s6u s ILE 45 Cb -0.15 -1.83 0.04 0.00 -1.06 0.00 0.00 42.46 39.46 1s6u s ILE 45 CO 0.02 0.30 0.22 -0.69 -0.10 0.00 0.00 174.94 174.69 1s6u s VAL 46 N 1.32 4.51 0.26 2.92 1.01 0.12 -0.24 120.40 130.30 1s6u s VAL 46 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1s6u s VAL 46 Cb -0.15 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1s6u s VAL 46 CO -0.10 -0.29 0.10 -0.72 0.00 0.00 0.00 175.10 174.10 1s6u s TYR 47 N 1.53 1.50 -0.41 5.22 1.13 -0.21 -0.72 117.35 125.39 1s6u s TYR 47 Ca 0.02 -1.22 -0.16 0.00 -1.41 0.00 0.00 57.07 54.30 1s6u s TYR 47 Cb -0.20 -0.86 0.02 0.00 -1.10 0.00 0.00 41.96 39.82 1s6u s TYR 47 CO 0.06 -0.38 0.38 -1.14 -2.51 0.00 0.00 175.55 171.96 1s6u s GLN 48 N -4.03 3.12 -1.25 -3.49 -0.44 -0.11 -0.59 119.66 112.87 1s6u s GLN 48 Ca 0.38 -0.80 -0.14 0.00 -2.50 0.00 0.00 55.36 52.30 1s6u s GLN 48 Cb 0.08 -3.95 -0.05 0.00 -1.64 0.00 0.00 33.01 27.45 1s6u s GLN 48 CO 0.14 -0.78 2.27 -0.35 0.50 0.00 0.00 175.29 177.06 1s6u n PRO 49 N 5.44 2.56 0.00 1.67 -0.04 -1.26 -2.80 135.00 140.57 1s6u n PRO 49 Ca -0.09 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1s6u n PRO 49 Cb 0.48 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 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 5.79 -0.91 -0.03 0.54 -0.00 -1.26 -4.96 115.22 114.38 1s6u n HIS 50 Ca 0.55 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.61 1s6u n HIS 50 Cb 0.33 0.18 -0.06 0.00 -0.12 0.00 0.00 29.99 30.32 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1s6u h LEU 51 N 0.00 0.19 -8.63 0.27 4.07 -1.86 -3.46 115.31 105.89 1s6u h LEU 51 Ca 0.00 -0.27 -0.29 0.00 0.08 0.00 0.00 57.88 57.40 1s6u h LEU 51 Cb 0.00 -0.05 -0.15 0.00 1.08 0.00 0.00 40.66 41.54 1s6u h LEU 51 CO 0.00 0.41 -0.68 -0.51 -1.08 0.00 0.00 178.44 176.58 1s6u s ILE 52 N -5.13 0.79 0.24 1.22 1.10 -1.23 -4.90 121.20 113.28 1s6u s ILE 52 Ca -0.14 -1.99 0.11 0.00 -0.51 0.00 0.00 60.65 58.12 1s6u s ILE 52 Cb 0.05 -2.00 -0.05 0.00 0.15 0.00 0.00 42.46 40.62 1s6u s ILE 52 CO 0.70 -0.59 -0.19 -0.94 -2.11 0.00 0.00 174.94 171.81 1s6u s SER 53 N -3.15 3.26 0.26 4.50 1.04 -1.26 -4.55 113.70 113.79 1s6u s SER 53 Ca 0.20 -0.99 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 1s6u s SER 53 Cb 0.05 -0.24 0.43 0.00 0.10 0.00 0.00 66.02 66.36 1s6u s SER 53 CO 0.02 0.00 1.60 0.58 0.98 0.00 0.00 173.24 176.42 1s6u h VAL 54 N 2.57 0.19 0.28 5.02 2.07 -1.99 -2.16 116.25 122.23 1s6u h VAL 54 Ca -0.41 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1s6u h VAL 54 Cb 1.24 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1s6u h VAL 54 CO 0.58 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 177.87 1s6u h GLU 55 N 0.03 -0.49 -0.63 1.57 4.57 -1.98 0.10 114.58 117.76 1s6u h GLU 55 Ca 0.43 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.75 1s6u h GLU 55 Cb 0.72 0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 29.30 1s6u h GLU 55 CO -0.82 -0.33 -0.37 0.93 -1.18 0.00 0.00 179.01 177.25 1s6u h GLU 56 N -0.51 -0.16 0.33 1.92 4.39 -1.82 0.56 114.58 119.29 1s6u h GLU 56 Ca -0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1s6u h GLU 56 Cb 0.45 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1s6u h GLU 56 CO -0.02 -0.11 -0.36 0.52 -1.16 0.00 0.00 179.01 177.89 1s6u h MET 57 N -0.16 -0.66 0.48 2.33 0.00 -0.91 0.10 114.93 116.11 1s6u h MET 57 Ca 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 59.70 59.96 1s6u h MET 57 Cb 0.56 0.15 -0.02 0.00 0.00 0.00 0.00 31.60 32.29 1s6u h MET 57 CO -0.71 -0.44 -0.45 -0.22 0.00 0.00 0.00 176.91 175.09 1s6u h LYS 58 N -0.69 -0.89 -0.82 1.72 3.64 -0.27 0.12 116.57 119.38 1s6u h LYS 58 Ca -0.04 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1s6u h LYS 58 Cb 0.60 0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 32.47 1s6u h LYS 58 CO -0.06 -0.59 -0.26 -0.22 -2.27 0.00 0.00 179.45 176.05 1s6u h LYS 59 N -0.92 -0.03 -0.50 1.90 3.11 0.09 0.84 116.57 121.06 1s6u h LYS 59 Ca -0.06 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1s6u h LYS 59 Cb 0.79 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.00 1s6u h LYS 59 CO -0.03 -0.02 0.15 1.96 -2.81 0.00 0.00 179.45 178.70 1s6u h GLN 60 N -0.03 0.78 0.23 1.90 7.50 -0.68 0.60 115.11 125.41 1s6u h GLN 60 Ca 0.36 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.33 1s6u h GLN 60 Cb 0.60 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1s6u h GLN 60 CO -0.86 0.73 -0.11 0.82 -1.50 0.00 0.00 178.83 177.92 1s6u h ILE 61 N 0.68 0.00 -1.05 2.54 2.04 0.22 -3.18 117.51 118.76 1s6u h ILE 61 Ca 0.16 -0.19 0.35 0.00 1.00 0.00 0.00 64.86 66.19 1s6u h ILE 61 Cb 0.28 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.21 1s6u h ILE 61 CO -0.00 0.00 0.61 -0.33 0.00 0.00 0.00 178.15 178.42 1s6u h GLU 62 N -0.50 0.23 -0.55 2.37 5.08 0.40 0.77 114.58 122.38 1s6u h GLU 62 Ca -0.03 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1s6u h GLU 62 Cb 0.24 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1s6u h GLU 62 CO 0.05 0.15 0.39 0.00 -1.00 0.00 0.00 179.01 178.60 1s6u h ALA 63 N 1.83 2.35 -0.95 3.43 0.00 -0.85 0.26 119.26 125.34 1s6u h ALA 63 Ca 0.76 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.76 1s6u h ALA 63 Cb 1.89 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.61 1s6u h ALA 63 CO -0.59 -0.50 0.58 0.52 0.00 0.00 0.00 179.25 179.26 1s6u h MET 64 N 0.12 0.94 0.00 0.00 2.86 -0.84 -3.46 114.93 114.55 1s6u h MET 64 Ca 0.26 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1s6u h MET 64 Cb 0.87 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1s6u h MET 64 CO -0.03 0.62 0.00 0.41 1.06 0.00 0.00 176.91 178.97 1s6u n GLY 65 N -1.34 1.12 3.63 8.32 0.00 0.92 -5.12 105.19 112.73 1s6u n GLY 65 Ca 0.16 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 -0.19 2.69 0.30 1.61 0.08 -1.24 -5.00 117.98 116.23 1s6u s PHE 66 Ca 0.00 0.88 -0.29 0.00 0.12 0.00 0.00 56.93 57.64 1s6u s PHE 66 Cb 0.00 -3.85 -0.10 0.00 -0.57 0.00 0.00 43.02 38.50 1s6u s PHE 66 CO 0.00 -1.74 1.34 -1.25 -0.10 0.00 0.00 175.22 173.47 1s6u s PRO 67 N 4.09 4.33 -0.01 0.24 0.04 -1.26 -4.00 135.00 138.43 1s6u s PRO 67 Ca 0.56 2.23 0.01 0.00 0.04 0.00 0.00 61.00 63.85 1s6u s PRO 67 Cb -0.18 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1s6u s PRO 67 CO 0.22 -0.26 -0.02 0.00 0.04 0.00 0.00 177.00 176.99 1s6u s ALA 68 N -0.79 0.18 -0.93 8.56 0.00 -1.26 -3.00 121.76 124.51 1s6u s ALA 68 Ca 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1s6u s ALA 68 Cb -0.40 -0.08 0.28 0.00 0.00 0.00 0.00 23.12 22.92 1s6u s ALA 68 CO 0.50 0.02 1.18 1.19 0.00 0.00 0.00 175.76 178.66 1s6u n PHE 69 N 3.21 2.98 -1.57 0.00 3.01 0.21 -4.94 117.46 120.37 1s6u n PHE 69 Ca -0.15 -3.25 -0.40 0.00 1.01 0.00 0.00 57.45 54.66 1s6u n PHE 69 Cb 0.58 -1.05 -0.03 0.00 -0.01 0.00 0.00 39.48 38.96 1s6u n PHE 69 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1s6u n VAL 70 N 1.32 0.14 -2.77 -4.37 3.14 -1.26 -2.94 118.33 111.59 1s6u n VAL 70 Ca 0.27 -0.61 -0.09 0.00 -2.96 0.00 0.00 64.34 60.95 1s6u n VAL 70 Cb 0.36 -2.63 0.08 0.00 -1.06 0.00 0.00 33.84 30.59 1s6u n VAL 70 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1s6u n LYS 71 N 8.86 1.09 -3.66 1.45 2.85 -0.96 -4.97 118.16 122.82 1s6u n LYS 71 Ca 0.34 -2.20 -0.14 0.00 -1.05 0.00 0.00 58.31 55.26 1s6u n LYS 71 Cb 0.48 -0.77 -0.08 0.00 -0.65 0.00 0.00 35.03 34.01 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 -0.42 0.73 -0.39 -1.58 2.47 -1.20 -4.93 119.74 114.42 1s6u s LYS 72 Ca 0.25 0.75 0.02 0.00 -1.56 0.00 0.00 55.97 55.42 1s6u s LYS 72 Cb 0.35 0.35 0.15 0.00 -1.46 0.00 0.00 37.83 37.23 1s6u s LYS 72 CO -0.06 -0.11 0.27 0.42 0.16 0.00 0.00 175.35 176.03 1s6u s ILE 73 N 0.12 0.40 0.48 5.43 1.09 -1.25 -3.24 121.20 124.23 1s6u s ILE 73 Ca -0.01 -2.18 0.04 0.00 -1.10 0.00 0.00 60.65 57.40 1s6u s ILE 73 Cb -0.04 -1.29 0.02 0.00 -1.06 0.00 0.00 42.46 40.09 1s6u s ILE 73 CO 0.02 -1.07 0.67 -1.61 -0.10 0.00 0.00 174.94 172.85 1s6u s GLU 74 N 0.59 2.72 0.00 2.79 8.01 -0.68 -4.92 118.70 127.21 1s6u s GLU 74 Ca 0.23 -0.98 0.00 0.00 0.01 0.00 0.00 54.97 54.23 1s6u s GLU 74 Cb -0.13 -2.63 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 1s6u s GLU 74 CO -0.07 -0.46 0.00 0.41 0.01 0.00 0.00 175.26 175.15 1s6u n GLY 75 N -2.08 0.92 0.00 -1.39 0.00 -1.26 -0.30 105.19 101.07 1s6u n GLY 75 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19