#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u s GLU 2 N 0.00 1.23 0.01 1.61 4.04 -1.26 -4.65 118.70 119.67 1s6u s GLU 2 Ca 0.00 -0.33 -0.02 0.00 0.04 0.00 0.00 54.97 54.66 1s6u s GLU 2 Cb 0.00 0.57 -0.01 0.00 0.02 0.00 0.00 34.13 34.71 1s6u s GLU 2 CO 0.00 -0.51 0.02 0.08 -1.84 0.00 0.00 175.26 173.01 1s6u s VAL 3 N -3.26 0.07 0.09 1.83 1.01 0.53 -4.39 120.40 116.27 1s6u s VAL 3 Ca -0.01 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1s6u s VAL 3 Cb -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 1s6u s VAL 3 CO -0.09 -0.33 0.54 0.54 0.00 0.00 0.00 175.10 175.77 1s6u s VAL 4 N -1.00 4.81 -0.12 2.92 0.11 -0.12 -0.96 120.40 126.04 1s6u s VAL 4 Ca -0.11 1.06 -0.00 0.00 -2.93 0.00 0.00 61.98 60.00 1s6u s VAL 4 Cb -0.07 -3.83 0.02 0.00 -1.53 0.00 0.00 36.38 30.98 1s6u s VAL 4 CO -0.00 0.47 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.92 1s6u s LEU 5 N -1.36 1.34 -0.17 2.54 1.98 0.48 -2.12 118.68 121.37 1s6u s LEU 5 Ca 0.31 -0.35 -0.04 0.00 -2.89 0.00 0.00 54.13 51.16 1s6u s LEU 5 Cb -0.18 -0.93 -0.02 0.00 0.66 0.00 0.00 46.19 45.72 1s6u s LEU 5 CO 0.18 -0.09 -0.03 -0.75 -1.89 0.00 0.00 176.35 173.77 1s6u s LYS 6 N 1.58 3.60 -0.15 1.98 2.36 -1.18 -0.61 119.74 127.32 1s6u s LYS 6 Ca 0.04 -0.54 0.02 0.00 -2.55 0.00 0.00 55.97 52.93 1s6u s LYS 6 Cb -0.13 -2.95 0.01 0.00 -1.05 0.00 0.00 37.83 33.71 1s6u s LYS 6 CO -0.08 0.12 -0.21 0.00 1.55 0.00 0.00 175.35 176.74 1s6u s MET 7 N 0.68 3.05 0.22 4.03 0.23 0.13 -1.93 119.30 125.71 1s6u s MET 7 Ca -0.02 -0.83 -0.30 0.00 -1.03 0.00 0.00 55.69 53.51 1s6u s MET 7 Cb -0.14 -2.48 -0.09 0.00 -1.53 0.00 0.00 34.83 30.59 1s6u s MET 7 CO 0.02 -0.03 1.18 0.21 -2.03 0.00 0.00 175.02 174.38 1s6u s LYS 8 N 0.86 4.52 0.23 3.16 2.47 -0.92 -0.23 119.74 129.83 1s6u s LYS 8 Ca -0.06 1.88 0.11 0.00 -1.56 0.00 0.00 55.97 56.35 1s6u s LYS 8 Cb -0.15 -3.22 -0.05 0.00 -1.46 0.00 0.00 37.83 32.96 1s6u s LYS 8 CO -0.03 -0.03 -0.21 0.14 0.16 0.00 0.00 175.35 175.39 1s6u s VAL 9 N -0.39 2.30 0.18 4.02 -7.23 -0.70 -0.09 120.40 118.48 1s6u s VAL 9 Ca 0.51 -2.20 0.10 0.00 -1.81 0.00 0.00 61.98 58.57 1s6u s VAL 9 Cb -0.33 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1s6u s VAL 9 CO 0.39 -0.30 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.11 1s6u s GLU 10 N -3.13 1.82 0.00 4.82 8.01 -1.24 -4.45 118.70 124.53 1s6u s GLU 10 Ca 0.24 -1.35 0.00 0.00 0.01 0.00 0.00 54.97 53.87 1s6u s GLU 10 Cb -0.06 -2.04 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 1s6u s GLU 10 CO 0.11 0.43 0.00 0.41 0.01 0.00 0.00 175.26 176.22 1s6u n GLY 11 N 0.23 1.19 3.55 -1.39 0.00 -1.26 -4.71 105.19 102.81 1s6u n GLY 11 Ca -0.12 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1s6u n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s6u n MET 12 N 0.00 0.68 -2.70 1.61 2.81 -1.26 -4.69 117.12 113.57 1s6u n MET 12 Ca 0.00 -0.54 -0.07 0.00 -1.81 0.00 0.00 57.70 55.28 1s6u n MET 12 Cb 0.00 -3.50 0.04 0.00 -0.71 0.00 0.00 33.22 29.05 1s6u n MET 12 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1s6u n THR 13 N 8.43 0.96 -3.58 2.03 -1.04 -1.26 -4.62 114.28 115.19 1s6u n THR 13 Ca 0.45 -2.87 -0.11 0.00 -2.04 0.00 0.00 64.05 59.48 1s6u n THR 13 Cb 0.45 0.85 -0.04 0.00 -1.82 0.00 0.00 70.33 69.77 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u h HIS 15 N 2.34 0.00 0.31 0.00 3.86 -1.99 -3.25 115.15 116.41 1s6u h HIS 15 Ca -0.34 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1s6u h HIS 15 Cb 1.26 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 1s6u h HIS 15 CO 0.31 0.22 -0.26 0.77 0.86 0.00 0.00 177.93 179.83 1s6u h SER 16 N 0.00 -0.70 0.42 2.45 0.02 -1.98 0.70 113.55 114.46 1s6u h SER 16 Ca -0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1s6u h SER 16 Cb 0.63 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1s6u h SER 16 CO 0.03 -0.39 -0.38 0.00 -1.14 0.00 0.00 176.83 174.95 1s6u h THR 18 N -0.80 0.49 -0.83 0.00 1.35 -1.61 0.49 112.91 112.00 1s6u h THR 18 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.81 1s6u h THR 18 Cb 0.71 0.49 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 1s6u h THR 18 CO -0.04 0.00 0.47 -1.28 -0.25 0.00 0.00 175.52 174.42 1s6u h SER 19 N -0.40 1.02 -0.20 5.36 0.87 -0.82 0.21 113.55 119.59 1s6u h SER 19 Ca 0.04 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1s6u h SER 19 Cb 0.44 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1s6u h SER 19 CO -0.15 0.81 0.13 0.74 -0.53 0.00 0.00 176.83 177.83 1s6u h THR 20 N 1.15 1.04 0.19 2.23 2.02 -0.13 0.21 112.91 119.62 1s6u h THR 20 Ca 0.29 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 1s6u h THR 20 Cb 0.01 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1s6u h THR 20 CO -0.05 0.05 -0.12 0.40 0.37 0.00 0.00 175.52 176.17 1s6u h ILE 21 N 0.26 0.75 -0.58 3.11 2.04 -0.57 -0.06 117.51 122.46 1s6u h ILE 21 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1s6u h ILE 21 Cb -0.02 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1s6u h ILE 21 CO -0.02 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 178.00 1s6u h GLU 22 N -0.30 0.36 -0.22 2.37 5.08 -0.30 0.26 114.58 121.84 1s6u h GLU 22 Ca -0.02 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1s6u h GLU 22 Cb 0.25 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1s6u h GLU 22 CO 0.01 0.24 0.01 0.78 -1.00 0.00 0.00 179.01 179.06 1s6u h GLY 23 N 0.38 0.22 0.91 -3.84 0.00 -0.39 0.21 103.07 100.55 1s6u h GLY 23 Ca 0.29 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 1s6u h GLY 23 CO -0.30 -0.03 -0.41 1.70 0.00 0.00 0.00 176.54 177.50 1s6u h LYS 24 N 0.08 -1.10 -0.03 4.80 1.63 0.23 -3.26 116.57 118.93 1s6u h LYS 24 Ca 0.10 0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1s6u h LYS 24 Cb 0.12 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1s6u h LYS 24 CO -0.16 -0.73 -0.16 0.82 -3.45 0.00 0.00 179.45 175.77 1s6u h ILE 25 N -1.25 1.14 -1.31 2.00 1.08 -0.51 -0.73 117.51 117.93 1s6u h ILE 25 Ca -0.12 -0.64 0.38 0.00 -0.39 0.00 0.00 64.86 64.10 1s6u h ILE 25 Cb 0.88 1.30 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 1s6u h ILE 25 CO 0.19 0.19 0.92 1.23 -0.69 0.00 0.00 178.15 179.99 1s6u h GLY 26 N 0.57 0.33 -0.91 5.37 0.00 -0.61 -0.06 103.07 107.76 1s6u h GLY 26 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1s6u h GLY 26 CO 0.02 -0.06 0.00 1.17 0.00 0.00 0.00 176.54 177.67 1s6u n LYS 27 N -4.26 1.81 -2.26 4.80 4.81 -0.28 -4.92 118.16 117.85 1s6u n LYS 27 Ca 0.30 -1.21 -0.42 0.00 -0.87 0.00 0.00 58.31 56.12 1s6u n LYS 27 Cb 1.34 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 34.92 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 -1.71 4.41 -1.35 3.14 1.43 -0.04 -4.91 118.68 119.64 1s6u s LEU 28 Ca 0.34 2.31 -0.13 0.00 -1.03 0.00 0.00 54.13 55.62 1s6u s LEU 28 Cb 0.19 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1s6u s LEU 28 CO 0.29 -0.52 2.43 0.00 0.23 0.00 0.00 176.35 178.79 1s6u n GLN 29 N 3.02 2.87 0.00 1.70 10.64 -1.26 -3.49 117.38 130.86 1s6u n GLN 29 Ca 0.07 -2.20 0.00 0.00 -1.83 0.00 0.00 57.00 53.04 1s6u n GLN 29 Cb 0.43 -2.95 0.00 0.00 -0.86 0.00 0.00 30.24 26.86 1s6u n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s6u n GLY 30 N 3.93 0.00 3.65 2.61 0.00 -1.26 -4.42 105.19 109.70 1s6u n GLY 30 Ca 0.60 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 3.64 -0.06 1.61 0.11 -1.23 -1.74 120.40 122.73 1s6u s VAL 31 Ca 0.00 -1.45 -0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1s6u s VAL 31 Cb 0.00 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 1s6u s VAL 31 CO 0.00 -0.10 -0.05 0.00 -3.33 0.00 0.00 175.10 171.61 1s6u n GLN 32 N -0.06 0.14 -3.82 1.54 1.13 0.42 -4.86 117.38 111.87 1s6u n GLN 32 Ca -0.10 0.04 -0.06 0.00 -1.94 0.00 0.00 57.00 54.94 1s6u n GLN 32 Cb 0.55 -1.02 -0.01 0.00 0.11 0.00 0.00 30.24 29.87 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 -2.11 1.62 -0.22 -1.09 3.52 -0.54 -5.01 118.95 115.11 1s6u s ARG 33 Ca -0.08 -0.94 -0.22 0.00 -0.13 0.00 0.00 55.73 54.36 1s6u s ARG 33 Cb 0.02 0.52 0.06 0.00 -1.56 0.00 0.00 34.95 33.99 1s6u s ARG 33 CO 0.12 -0.75 0.62 -1.50 -0.81 0.00 0.00 175.30 172.99 1s6u s ILE 34 N -3.26 0.00 -0.38 4.11 2.07 -1.26 -0.08 121.20 122.40 1s6u s ILE 34 Ca 0.13 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 1s6u s ILE 34 Cb -0.04 -0.87 0.15 0.00 0.13 0.00 0.00 42.46 41.83 1s6u s ILE 34 CO 0.06 -0.00 0.29 -0.54 -1.91 0.00 0.00 174.94 172.84 1s6u s LYS 35 N 0.24 0.70 -0.40 3.50 -0.14 0.48 -4.96 119.74 119.16 1s6u s LYS 35 Ca -0.01 -1.54 -0.22 0.00 -1.36 0.00 0.00 55.97 52.85 1s6u s LYS 35 Cb -0.04 -1.23 0.01 0.00 -1.68 0.00 0.00 37.83 34.89 1s6u s LYS 35 CO 0.01 -1.28 0.70 0.08 -0.76 0.00 0.00 175.35 174.11 1s6u s VAL 36 N 0.75 4.79 0.70 3.17 1.01 -1.25 -0.29 120.40 129.27 1s6u s VAL 36 Ca 0.24 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 1s6u s VAL 36 Cb -0.12 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.18 1s6u s VAL 36 CO -0.07 -0.49 0.96 -0.44 0.00 0.00 0.00 175.10 175.06 1s6u s SER 37 N 1.92 4.50 0.00 3.32 0.01 0.98 -4.89 113.70 119.55 1s6u s SER 37 Ca 0.27 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1s6u s SER 37 Cb -0.14 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1s6u s SER 37 CO 0.18 -1.74 0.00 0.00 0.41 0.00 0.00 173.24 172.08 1s6u n LEU 38 N -2.77 0.04 -0.07 2.44 -0.00 -1.26 -4.03 117.00 111.34 1s6u n LEU 38 Ca 0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 56.01 1s6u n LEU 38 Cb 0.60 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.94 1s6u n LEU 38 CO 0.43 -0.34 0.52 0.44 -0.00 0.00 0.00 177.39 178.44 1s6u h ASP 39 N 0.00 -1.71 -0.31 1.45 5.19 -1.94 0.90 116.42 120.01 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 0.05 0.69 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1s6u h ASP 39 CO 0.00 -0.43 0.00 -3.20 -3.12 0.00 0.00 179.24 172.49 1s6u n ASN 40 N -5.41 1.70 -3.69 6.45 2.85 -1.26 -4.94 115.26 110.95 1s6u n ASN 40 Ca -0.04 -1.97 -0.27 0.00 -0.11 0.00 0.00 54.58 52.19 1s6u n ASN 40 Cb 0.36 -0.20 0.02 0.00 1.24 0.00 0.00 39.78 41.20 1s6u n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s6u n GLN 41 N 0.42 -1.16 -3.86 1.20 6.02 0.31 -4.91 117.38 115.40 1s6u n GLN 41 Ca 0.11 0.65 -0.11 0.00 -0.01 0.00 0.00 57.00 57.64 1s6u n GLN 41 Cb 0.27 -3.47 -0.09 0.00 1.02 0.00 0.00 30.24 27.97 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 -5.43 0.59 -0.06 -1.09 2.02 -1.26 -1.72 118.70 111.75 1s6u s GLU 42 Ca 0.25 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.71 1s6u s GLU 42 Cb -0.11 0.24 0.04 0.00 0.10 0.00 0.00 34.13 34.41 1s6u s GLU 42 CO 0.88 -0.15 0.10 0.00 0.02 0.00 0.00 175.26 176.11 1s6u s ALA 43 N -1.93 -0.02 -0.16 5.21 0.00 0.68 -0.01 121.76 125.52 1s6u s ALA 43 Ca -0.10 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1s6u s ALA 43 Cb -0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1s6u s ALA 43 CO -0.01 -0.38 0.20 0.99 0.00 0.00 0.00 175.76 176.55 1s6u s THR 44 N 1.83 5.38 -0.07 0.00 2.01 0.60 -0.69 115.64 124.69 1s6u s THR 44 Ca -0.01 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1s6u s THR 44 Cb -0.12 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1s6u s THR 44 CO -0.04 0.47 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.62 1s6u s ILE 45 N 0.05 1.03 -0.22 1.82 -1.09 0.22 -0.39 121.20 122.63 1s6u s ILE 45 Ca 0.13 -0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1s6u s ILE 45 Cb -0.12 -0.98 0.01 0.00 -1.58 0.00 0.00 42.46 39.79 1s6u s ILE 45 CO 0.02 0.34 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.28 1s6u s VAL 46 N 0.95 2.78 0.27 2.92 1.01 0.88 -0.39 120.40 128.83 1s6u s VAL 46 Ca -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1s6u s VAL 46 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1s6u s VAL 46 CO 0.00 0.39 0.24 -0.72 0.00 0.00 0.00 175.10 175.01 1s6u s TYR 47 N 1.37 1.40 -0.35 5.22 1.13 -0.13 -0.44 117.35 125.54 1s6u s TYR 47 Ca 0.04 -1.48 -0.07 0.00 -1.41 0.00 0.00 57.07 54.15 1s6u s TYR 47 Cb -0.15 -0.57 0.05 0.00 -1.10 0.00 0.00 41.96 40.19 1s6u s TYR 47 CO -0.07 -0.79 0.13 -1.14 -2.51 0.00 0.00 175.55 171.17 1s6u s GLN 48 N -3.75 2.60 -1.12 -3.49 0.74 -0.71 -0.35 119.66 113.58 1s6u s GLN 48 Ca 0.39 -1.23 -0.22 0.00 0.05 0.00 0.00 55.36 54.35 1s6u s GLN 48 Cb 0.04 -3.51 -0.08 0.00 1.10 0.00 0.00 33.01 30.56 1s6u s GLN 48 CO 0.20 -0.72 1.92 -0.35 -0.55 0.00 0.00 175.29 175.79 1s6u n PRO 49 N 4.82 1.82 0.00 1.67 -0.04 -1.26 -1.61 135.00 140.40 1s6u n PRO 49 Ca -0.12 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 1s6u n PRO 49 Cb 0.44 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 1s6u n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6u n HIS 50 N 11.96 -0.03 -0.01 0.54 8.25 -1.26 -5.00 115.22 129.68 1s6u n HIS 50 Ca 0.47 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.76 1s6u n HIS 50 Cb 0.45 0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.44 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 0.30 -8.42 2.41 3.38 -1.61 -3.47 115.31 107.91 1s6u h LEU 51 Ca 0.00 -0.88 -0.20 0.00 0.09 0.00 0.00 57.88 56.90 1s6u h LEU 51 Cb 0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.51 1s6u h LEU 51 CO 0.00 1.15 -0.68 -0.51 0.09 0.00 0.00 178.44 178.49 1s6u s ILE 52 N -2.73 0.47 0.25 1.22 1.10 -1.24 -4.77 121.20 115.50 1s6u s ILE 52 Ca -0.15 -1.90 0.07 0.00 -0.51 0.00 0.00 60.65 58.16 1s6u s ILE 52 Cb 0.00 -1.76 -0.05 0.00 0.15 0.00 0.00 42.46 40.80 1s6u s ILE 52 CO 0.77 -0.79 -0.10 -0.94 -2.11 0.00 0.00 174.94 171.77 1s6u s SER 53 N -3.03 2.75 0.26 4.50 1.04 -1.26 -4.56 113.70 113.40 1s6u s SER 53 Ca 0.14 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.44 1s6u s SER 53 Cb 0.06 -0.17 0.55 0.00 0.10 0.00 0.00 66.02 66.57 1s6u s SER 53 CO -0.04 -0.25 1.71 0.58 0.98 0.00 0.00 173.24 176.23 1s6u h VAL 54 N 2.39 0.58 -0.51 5.02 2.07 -2.00 -1.30 116.25 122.50 1s6u h VAL 54 Ca -0.39 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1s6u h VAL 54 Cb 1.23 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1s6u h VAL 54 CO 0.65 0.08 -0.00 -0.08 0.02 0.00 0.00 177.57 178.23 1s6u h GLU 55 N 0.41 0.86 0.54 1.57 4.22 -1.98 0.35 114.58 120.55 1s6u h GLU 55 Ca 0.46 -0.24 -0.02 0.00 0.08 0.00 0.00 59.36 59.64 1s6u h GLU 55 Cb 0.77 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1s6u h GLU 55 CO -0.46 0.86 -0.43 1.49 -2.18 0.00 0.00 179.01 178.29 1s6u h GLU 56 N 0.80 -0.92 -0.63 1.92 4.22 -1.67 0.40 114.58 118.69 1s6u h GLU 56 Ca 0.15 0.06 0.06 0.00 0.08 0.00 0.00 59.36 59.72 1s6u h GLU 56 Cb 0.48 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.84 1s6u h GLU 56 CO 0.02 -0.61 -0.56 0.52 -2.18 0.00 0.00 179.01 176.19 1s6u h MET 57 N -0.95 -0.23 0.29 1.92 2.86 -1.03 0.96 114.93 118.75 1s6u h MET 57 Ca -0.06 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1s6u h MET 57 Cb 0.81 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1s6u h MET 57 CO -0.00 -0.15 -0.14 -0.22 1.06 0.00 0.00 176.91 177.45 1s6u h LYS 58 N -0.24 -0.38 -0.84 1.72 3.11 -0.64 0.12 116.57 119.42 1s6u h LYS 58 Ca 0.11 0.03 0.12 0.00 -2.81 0.00 0.00 60.65 58.09 1s6u h LYS 58 Cb 0.52 0.09 -0.13 0.00 -1.00 0.00 0.00 32.23 31.70 1s6u h LYS 58 CO -0.72 -0.12 -0.43 -0.22 -2.81 0.00 0.00 179.45 175.15 1s6u h LYS 59 N -0.60 -0.07 -0.23 1.90 1.63 -0.09 0.65 116.57 119.76 1s6u h LYS 59 Ca -0.04 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1s6u h LYS 59 Cb 0.43 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1s6u h LYS 59 CO 0.07 -0.05 0.15 1.96 -3.45 0.00 0.00 179.45 178.13 1s6u h GLN 60 N -0.08 0.30 0.25 1.90 1.08 -0.55 0.11 115.11 118.13 1s6u h GLN 60 Ca 0.26 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 1s6u h GLN 60 Cb 0.55 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1s6u h GLN 60 CO -0.87 0.20 -0.12 0.82 -0.95 0.00 0.00 178.83 177.91 1s6u h ILE 61 N 0.31 0.00 -1.04 2.54 2.04 0.64 -3.21 117.51 118.78 1s6u h ILE 61 Ca 0.09 -0.38 0.32 0.00 1.00 0.00 0.00 64.86 65.89 1s6u h ILE 61 Cb -0.03 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.91 1s6u h ILE 61 CO -0.02 0.00 0.61 -0.08 0.00 0.00 0.00 178.15 178.66 1s6u h GLU 62 N -0.72 0.32 -0.70 2.37 4.81 0.17 0.74 114.58 121.57 1s6u h GLU 62 Ca -0.03 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.33 1s6u h GLU 62 Cb 0.26 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1s6u h GLU 62 CO 0.06 0.21 0.48 0.00 -0.73 0.00 0.00 179.01 179.03 1s6u h ALA 63 N 1.79 2.28 -0.62 2.92 0.00 -0.97 0.22 119.26 124.88 1s6u h ALA 63 Ca 0.72 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.67 1s6u h ALA 63 Cb 1.70 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1s6u h ALA 63 CO -0.54 -0.47 0.35 0.52 0.00 0.00 0.00 179.25 179.11 1s6u h MET 64 N 0.27 0.66 0.00 0.00 2.86 -0.86 -3.47 114.93 114.38 1s6u h MET 64 Ca 0.34 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1s6u h MET 64 Cb 0.96 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1s6u h MET 64 CO -0.08 0.43 0.00 0.41 1.06 0.00 0.00 176.91 178.73 1s6u n GLY 65 N -1.27 1.10 3.64 8.32 0.00 0.78 -5.12 105.19 112.63 1s6u n GLY 65 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.46 2.87 0.46 1.61 0.08 -1.25 -4.98 117.98 116.31 1s6u s PHE 66 Ca 0.00 1.00 -0.24 0.00 0.12 0.00 0.00 56.93 57.81 1s6u s PHE 66 Cb 0.00 -3.81 -0.07 0.00 -0.57 0.00 0.00 43.02 38.57 1s6u s PHE 66 CO 0.00 -1.35 1.28 -1.25 -0.10 0.00 0.00 175.22 173.80 1s6u s PRO 67 N 3.93 3.69 -0.05 0.24 0.04 -1.26 -3.74 135.00 137.85 1s6u s PRO 67 Ca 0.52 2.07 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 1s6u s PRO 67 Cb -0.15 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.89 1s6u s PRO 67 CO 0.20 -0.69 0.10 0.00 0.04 0.00 0.00 177.00 176.65 1s6u s ALA 68 N -1.35 -0.17 -1.12 8.56 0.00 -1.26 -3.58 121.76 122.84 1s6u s ALA 68 Ca 0.63 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 1s6u s ALA 68 Cb -0.36 -0.33 0.28 0.00 0.00 0.00 0.00 23.12 22.71 1s6u s ALA 68 CO 0.45 -0.12 1.57 1.19 0.00 0.00 0.00 175.76 178.85 1s6u n PHE 69 N 3.92 2.34 -1.69 0.00 3.01 0.87 -4.93 117.46 120.98 1s6u n PHE 69 Ca -0.23 -2.60 -0.42 0.00 1.01 0.00 0.00 57.45 55.21 1s6u n PHE 69 Cb 0.53 -1.38 -0.03 0.00 -0.01 0.00 0.00 39.48 38.59 1s6u n PHE 69 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1s6u s VAL 70 N -2.23 3.11 -0.41 -4.37 0.11 -1.26 -2.16 120.40 113.18 1s6u s VAL 70 Ca 0.33 0.11 0.09 0.00 -2.93 0.00 0.00 61.98 59.57 1s6u s VAL 70 Cb 0.06 -3.17 0.37 0.00 -1.53 0.00 0.00 36.38 32.11 1s6u s VAL 70 CO 0.09 -0.12 1.18 2.29 -3.33 0.00 0.00 175.10 175.21 1s6u n LYS 71 N 8.76 1.11 -2.78 1.54 2.85 -0.81 -4.98 118.16 123.85 1s6u n LYS 71 Ca 0.29 -2.10 -0.09 0.00 -1.05 0.00 0.00 58.31 55.36 1s6u n LYS 71 Cb 0.47 -0.66 0.05 0.00 -0.65 0.00 0.00 35.03 34.24 1s6u n LYS 71 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1s6u n LYS 72 N -0.11 0.84 -1.62 -1.58 0.00 -1.16 -4.91 118.16 109.61 1s6u n LYS 72 Ca 0.04 -1.90 -0.42 0.00 0.00 0.00 0.00 58.31 56.03 1s6u n LYS 72 Cb 0.77 -1.36 -0.01 0.00 0.00 0.00 0.00 35.03 34.44 1s6u n LYS 72 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1s6u n ILE 73 N 1.30 3.31 -4.33 3.15 0.13 -1.26 -3.09 119.36 118.57 1s6u n ILE 73 Ca 0.09 -2.80 -0.34 0.00 -1.10 0.00 0.00 62.75 58.61 1s6u n ILE 73 Cb 0.64 -2.57 -0.11 0.00 -0.84 0.00 0.00 39.64 36.76 1s6u n ILE 73 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 1s6u s GLU 74 N 3.34 3.56 0.94 9.51 2.12 -0.90 -4.98 118.70 132.30 1s6u s GLU 74 Ca 0.50 -0.47 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 1s6u s GLU 74 Cb 0.14 -2.93 0.15 0.00 0.26 0.00 0.00 34.13 31.75 1s6u s GLU 74 CO -0.06 0.36 1.09 0.20 -0.54 0.00 0.00 175.26 176.30 1s6u s GLY 75 N 0.07 1.62 0.00 -1.50 0.00 -1.26 -0.94 107.32 105.31 1s6u s GLY 75 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1s6u s GLY 75 CO 0.02 0.57 0.46 -0.96 0.00 0.00 0.00 173.10 173.19