#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 -0.03 -0.12 1.61 2.12 -1.26 -4.30 118.70 116.72 1s6u s GLU 2 Ca 0.00 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.67 1s6u s GLU 2 Cb 0.00 -0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.06 1s6u s GLU 2 CO 0.00 -0.25 -0.14 0.14 -0.54 0.00 0.00 175.26 174.47 1s6u s VAL 3 N 1.66 1.46 -0.58 3.70 -7.23 0.37 -4.96 120.40 114.81 1s6u s VAL 3 Ca -0.02 -0.60 -0.28 0.00 -1.81 0.00 0.00 61.98 59.27 1s6u s VAL 3 Cb -0.12 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.50 1s6u s VAL 3 CO -0.04 0.43 1.16 0.54 -0.31 0.00 0.00 175.10 176.89 1s6u s VAL 4 N 1.16 4.05 -0.45 1.32 0.11 -1.26 -1.49 120.40 123.85 1s6u s VAL 4 Ca -0.03 0.81 -0.19 0.00 -2.93 0.00 0.00 61.98 59.64 1s6u s VAL 4 Cb -0.14 -4.71 0.03 0.00 -1.53 0.00 0.00 36.38 30.03 1s6u s VAL 4 CO -0.04 -1.33 0.57 -0.22 -3.33 0.00 0.00 175.10 170.75 1s6u s LEU 5 N 4.85 4.72 -0.39 2.54 1.98 0.47 -3.87 118.68 128.98 1s6u s LEU 5 Ca 0.41 -0.57 -0.24 0.00 -2.89 0.00 0.00 54.13 50.84 1s6u s LEU 5 Cb -0.08 -2.55 0.01 0.00 0.66 0.00 0.00 46.19 44.23 1s6u s LEU 5 CO 0.24 -0.73 0.81 -0.54 -1.89 0.00 0.00 176.35 174.24 1s6u s LYS 6 N 2.54 3.67 -0.14 1.98 3.01 -1.26 -1.07 119.74 128.48 1s6u s LYS 6 Ca 0.17 0.24 0.03 0.00 -1.01 0.00 0.00 55.97 55.40 1s6u s LYS 6 Cb -0.16 -3.84 0.01 0.00 -1.01 0.00 0.00 37.83 32.82 1s6u s LYS 6 CO 0.16 -0.94 -0.22 0.00 0.51 0.00 0.00 175.35 174.85 1s6u s MET 7 N 3.23 2.99 -0.11 1.68 0.23 -0.13 -0.43 119.30 126.76 1s6u s MET 7 Ca 0.32 -0.85 -0.29 0.00 -1.03 0.00 0.00 55.69 53.85 1s6u s MET 7 Cb -0.13 -2.41 -0.01 0.00 -1.53 0.00 0.00 34.83 30.75 1s6u s MET 7 CO 0.19 -0.01 0.96 0.15 -2.03 0.00 0.00 175.02 174.28 1s6u s LYS 8 N 0.81 4.40 0.05 3.16 3.01 -0.79 -0.02 119.74 130.36 1s6u s LYS 8 Ca -0.07 1.31 0.03 0.00 -1.01 0.00 0.00 55.97 56.22 1s6u s LYS 8 Cb -0.16 -3.54 -0.04 0.00 -1.01 0.00 0.00 37.83 33.08 1s6u s LYS 8 CO -0.02 -0.30 0.04 0.14 0.51 0.00 0.00 175.35 175.73 1s6u s VAL 9 N 1.96 4.33 0.18 3.17 -7.23 -1.11 -0.21 120.40 121.49 1s6u s VAL 9 Ca 0.46 -0.73 0.07 0.00 -1.81 0.00 0.00 61.98 59.97 1s6u s VAL 9 Cb -0.18 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1s6u s VAL 9 CO 0.17 0.22 0.03 -1.61 -0.31 0.00 0.00 175.10 173.60 1s6u s GLU 10 N -2.07 2.50 0.00 4.82 0.41 -1.19 -4.42 118.70 118.75 1s6u s GLU 10 Ca 0.25 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1s6u s GLU 10 Cb -0.12 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 1s6u s GLU 10 CO 0.17 0.46 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 1s6u n GLY 11 N -0.21 1.53 3.54 -1.39 0.00 -1.26 -4.67 105.19 102.72 1s6u n GLY 11 Ca -0.09 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 0.66 -1.59 1.61 2.81 -1.26 -4.74 117.12 114.61 1s6u n MET 12 Ca 0.00 -0.25 0.03 0.00 -1.81 0.00 0.00 57.70 55.67 1s6u n MET 12 Cb 0.00 -3.02 0.05 0.00 -0.71 0.00 0.00 33.22 29.54 1s6u n MET 12 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1s6u n THR 13 N 7.94 0.57 -3.63 2.03 -2.24 -1.26 -4.55 114.28 113.14 1s6u n THR 13 Ca 0.47 -1.70 -0.16 0.00 -2.27 0.00 0.00 64.05 60.39 1s6u n THR 13 Cb 0.40 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.14 1.51 0.16 0.00 8.25 -1.26 -3.15 115.22 121.88 1s6u n HIS 15 Ca -0.20 -2.10 0.00 0.00 -0.26 0.00 0.00 57.72 55.16 1s6u n HIS 15 Cb 0.57 -1.77 0.00 0.00 1.12 0.00 0.00 29.99 29.90 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 4.20 -0.71 0.44 0.41 7.64 -1.26 -4.82 113.62 119.52 1s6u n SER 16 Ca 0.49 0.56 -0.18 0.00 1.01 0.00 0.00 58.87 60.75 1s6u n SER 16 Cb 0.15 0.88 -0.09 0.00 -1.01 0.00 0.00 64.21 64.14 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 -1.17 0.69 -0.52 0.00 1.03 -1.88 -1.38 112.91 109.68 1s6u h THR 18 Ca -0.11 -0.03 -0.10 0.00 -0.01 0.00 0.00 66.41 66.16 1s6u h THR 18 Cb 0.92 0.60 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 1s6u h THR 18 CO 0.15 0.02 -0.05 -1.28 -0.01 0.00 0.00 175.52 174.34 1s6u h SER 19 N 0.09 0.94 -0.24 0.00 0.87 -1.79 0.15 113.55 113.56 1s6u h SER 19 Ca 0.19 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1s6u h SER 19 Cb 0.27 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1s6u h SER 19 CO -0.33 1.05 0.14 0.74 -0.53 0.00 0.00 176.83 177.89 1s6u h THR 20 N 0.81 1.02 0.23 2.23 2.02 -0.11 0.17 112.91 119.29 1s6u h THR 20 Ca 0.14 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1s6u h THR 20 Cb 0.60 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1s6u h THR 20 CO 0.04 0.05 -0.16 0.40 0.37 0.00 0.00 175.52 176.22 1s6u h ILE 21 N 0.28 0.67 -0.46 3.11 2.04 -0.94 0.25 117.51 122.46 1s6u h ILE 21 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1s6u h ILE 21 Cb 0.00 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1s6u h ILE 21 CO -0.05 0.00 -0.03 -0.33 0.00 0.00 0.00 178.15 177.73 1s6u h GLU 22 N -0.38 0.07 -0.37 2.37 5.08 -0.34 0.30 114.58 121.31 1s6u h GLU 22 Ca -0.02 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1s6u h GLU 22 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1s6u h GLU 22 CO 0.01 0.05 0.17 0.78 -1.00 0.00 0.00 179.01 179.03 1s6u h GLY 23 N 0.08 0.50 0.67 -3.84 0.00 -0.52 0.21 103.07 100.17 1s6u h GLY 23 Ca 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1s6u h GLY 23 CO -0.41 0.08 -0.32 1.70 0.00 0.00 0.00 176.54 177.59 1s6u h LYS 24 N 0.36 -0.87 -0.26 4.80 1.63 0.28 -3.32 116.57 119.19 1s6u h LYS 24 Ca 0.16 0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.96 1s6u h LYS 24 Cb 0.08 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1s6u h LYS 24 CO -0.12 -0.58 -0.10 0.82 -3.45 0.00 0.00 179.45 176.01 1s6u h ILE 25 N -1.18 1.21 -1.09 2.00 1.08 -0.47 -1.23 117.51 117.83 1s6u h ILE 25 Ca -0.09 -0.91 0.31 0.00 -0.39 0.00 0.00 64.86 63.78 1s6u h ILE 25 Cb 0.69 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.52 1s6u h ILE 25 CO 0.15 0.30 0.78 1.23 -0.69 0.00 0.00 178.15 179.92 1s6u h GLY 26 N 0.86 0.11 -1.27 5.37 0.00 -0.67 -0.63 103.07 106.84 1s6u h GLY 26 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.39 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 -4.24 1.91 -2.50 4.80 4.81 -0.46 -4.94 118.16 117.53 1s6u n LYS 27 Ca 0.24 -1.39 -0.33 0.00 -0.87 0.00 0.00 58.31 55.96 1s6u n LYS 27 Cb 1.14 -1.38 -0.04 0.00 0.02 0.00 0.00 35.03 34.77 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 -1.32 3.76 -1.11 3.14 1.43 -0.25 -4.99 118.68 119.34 1s6u s LEU 28 Ca 0.31 1.76 -0.14 0.00 -1.03 0.00 0.00 54.13 55.04 1s6u s LEU 28 Cb 0.17 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 42.04 1s6u s LEU 28 CO 0.24 -0.69 1.26 0.00 0.23 0.00 0.00 176.35 177.39 1s6u s GLN 29 N -3.55 4.00 0.00 1.70 -2.07 -1.26 -3.69 119.66 114.79 1s6u s GLN 29 Ca 0.63 -2.57 0.00 0.00 -1.82 0.00 0.00 55.36 51.60 1s6u s GLN 29 Cb -0.13 -4.88 0.00 0.00 -1.09 0.00 0.00 33.01 26.91 1s6u s GLN 29 CO 0.23 -1.62 0.00 0.41 -1.32 0.00 0.00 175.29 173.00 1s6u n GLY 30 N 4.03 0.37 3.77 2.60 0.00 -1.26 -4.44 105.19 110.25 1s6u n GLY 30 Ca 0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 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 4.04 -0.23 1.61 1.01 -1.24 -0.67 120.40 124.92 1s6u s VAL 31 Ca 0.00 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 1s6u s VAL 31 Cb 0.00 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 1s6u s VAL 31 CO 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 175.10 175.15 1s6u n GLN 32 N 0.92 0.55 -3.78 2.72 1.13 0.48 -4.87 117.38 114.53 1s6u n GLN 32 Ca 0.00 0.16 -0.09 0.00 -1.94 0.00 0.00 57.00 55.13 1s6u n GLN 32 Cb 0.48 -1.43 -0.04 0.00 0.11 0.00 0.00 30.24 29.37 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 -2.45 1.45 -0.18 -1.09 3.52 -0.17 -5.04 118.95 114.99 1s6u s ARG 33 Ca -0.31 -0.92 -0.14 0.00 -0.13 0.00 0.00 55.73 54.23 1s6u s ARG 33 Cb 0.09 0.53 0.05 0.00 -1.56 0.00 0.00 34.95 34.06 1s6u s ARG 33 CO 0.50 -0.62 0.46 -1.50 -0.81 0.00 0.00 175.30 173.33 1s6u s ILE 34 N -3.89 -0.01 -0.38 4.11 2.07 -1.26 -0.04 121.20 121.80 1s6u s ILE 34 Ca 0.11 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.39 1s6u s ILE 34 Cb -0.02 -0.66 0.15 0.00 0.13 0.00 0.00 42.46 42.06 1s6u s ILE 34 CO -0.00 0.01 0.24 -0.54 -1.91 0.00 0.00 174.94 172.74 1s6u s LYS 35 N 0.75 0.77 -0.33 3.50 -0.14 0.58 -4.96 119.74 119.90 1s6u s LYS 35 Ca -0.04 -1.62 -0.23 0.00 -1.36 0.00 0.00 55.97 52.73 1s6u s LYS 35 Cb -0.05 -1.53 0.00 0.00 -1.68 0.00 0.00 37.83 34.57 1s6u s LYS 35 CO -0.06 -1.24 0.75 0.08 -0.76 0.00 0.00 175.35 174.13 1s6u s VAL 36 N 0.73 4.80 0.00 3.17 1.01 -1.26 -0.37 120.40 128.48 1s6u s VAL 36 Ca 0.21 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1s6u s VAL 36 Cb -0.18 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1s6u s VAL 36 CO -0.03 -0.30 0.00 -1.20 0.00 0.00 0.00 175.10 173.56 1s6u n SER 37 N 6.21 0.00 0.00 3.32 7.64 0.16 -4.92 113.62 126.04 1s6u n SER 37 Ca 0.02 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1s6u n SER 37 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1s6u n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6u n LEU 38 N 0.00 0.00 0.06 -3.43 -0.00 -1.26 -4.68 117.00 107.68 1s6u n LEU 38 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 1s6u n LEU 38 Cb 0.00 0.34 -0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1s6u n LEU 38 CO 0.00 -0.44 0.54 0.44 -0.00 0.00 0.00 177.39 177.93 1s6u h ASP 39 N 0.00 -1.53 -0.28 1.45 5.19 -1.93 0.41 116.42 119.72 1s6u h ASP 39 Ca 0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1s6u h ASP 39 Cb 0.00 0.59 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1s6u h ASP 39 CO 0.00 -0.51 0.00 -3.20 -3.12 0.00 0.00 179.24 172.41 1s6u n ASN 40 N -5.46 1.76 -4.04 6.45 4.05 -1.26 -4.94 115.26 111.82 1s6u n ASN 40 Ca -0.07 -2.06 -0.43 0.00 0.45 0.00 0.00 54.58 52.47 1s6u n ASN 40 Cb 0.39 -0.25 0.02 0.00 1.23 0.00 0.00 39.78 41.16 1s6u n ASN 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1s6u n GLN 41 N 0.34 -0.44 -4.02 1.20 6.02 0.13 -4.98 117.38 115.64 1s6u n GLN 41 Ca 0.10 0.16 -0.09 0.00 -0.01 0.00 0.00 57.00 57.17 1s6u n GLN 41 Cb 0.30 -2.33 -0.11 0.00 1.02 0.00 0.00 30.24 29.12 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 -7.02 0.41 -0.08 -1.09 2.12 -1.26 -2.76 118.70 109.02 1s6u s GLU 42 Ca 0.40 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.94 1s6u s GLU 42 Cb -0.23 0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.30 1s6u s GLU 42 CO 0.95 -0.06 -0.10 0.00 -0.54 0.00 0.00 175.26 175.50 1s6u s ALA 43 N -2.20 1.27 -0.30 6.30 0.00 0.97 -0.66 121.76 127.13 1s6u s ALA 43 Ca -0.09 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1s6u s ALA 43 Cb -0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1s6u s ALA 43 CO -0.04 -0.09 0.19 0.99 0.00 0.00 0.00 175.76 176.81 1s6u s THR 44 N 1.06 5.09 -0.29 0.00 2.01 0.50 -0.96 115.64 123.05 1s6u s THR 44 Ca -0.07 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1s6u s THR 44 Cb -0.15 -3.51 0.07 0.00 0.01 0.00 0.00 72.50 68.93 1s6u s THR 44 CO -0.01 0.15 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.38 1s6u s ILE 45 N 1.71 2.25 -0.50 1.82 -1.09 -0.23 -0.30 121.20 124.85 1s6u s ILE 45 Ca 0.06 -1.85 -0.15 0.00 -2.23 0.00 0.00 60.65 56.48 1s6u s ILE 45 Cb -0.17 -2.43 0.10 0.00 -1.58 0.00 0.00 42.46 38.38 1s6u s ILE 45 CO 0.09 -0.21 0.43 -0.69 -1.23 0.00 0.00 174.94 173.34 1s6u s VAL 46 N 1.05 5.17 0.40 2.92 1.01 0.95 -0.40 120.40 131.50 1s6u s VAL 46 Ca -0.03 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1s6u s VAL 46 Cb -0.20 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1s6u s VAL 46 CO -0.06 -0.70 0.04 -0.72 0.00 0.00 0.00 175.10 173.67 1s6u s TYR 47 N 1.61 2.08 -0.36 5.22 1.13 -0.55 -0.38 117.35 126.10 1s6u s TYR 47 Ca 0.04 -0.92 -0.11 0.00 -1.41 0.00 0.00 57.07 54.66 1s6u s TYR 47 Cb -0.27 -1.48 0.02 0.00 -1.10 0.00 0.00 41.96 39.13 1s6u s TYR 47 CO 0.05 0.14 0.20 -1.14 -2.51 0.00 0.00 175.55 172.28 1s6u s GLN 48 N -3.80 2.95 -1.17 -3.49 0.74 0.16 -0.48 119.66 114.55 1s6u s GLN 48 Ca 0.28 -1.00 -0.20 0.00 0.05 0.00 0.00 55.36 54.49 1s6u s GLN 48 Cb 0.07 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1s6u s GLN 48 CO 0.14 -0.64 1.91 -0.35 -0.55 0.00 0.00 175.29 175.80 1s6u n PRO 49 N 5.00 2.21 0.00 1.67 -0.04 -1.26 -2.01 135.00 140.57 1s6u n PRO 49 Ca -0.12 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1s6u n PRO 49 Cb 0.47 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 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 10.23 -0.01 0.03 0.54 8.25 -1.26 -4.99 115.22 128.01 1s6u n HIS 50 Ca 0.48 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.73 1s6u n HIS 50 Cb 0.44 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.41 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 0.44 -8.13 2.41 4.07 -1.73 -3.48 115.31 108.89 1s6u h LEU 51 Ca 0.00 -0.90 -0.17 0.00 0.08 0.00 0.00 57.88 56.89 1s6u h LEU 51 Cb 0.00 -0.14 -0.19 0.00 1.08 0.00 0.00 40.66 41.41 1s6u h LEU 51 CO 0.00 1.50 -0.70 -0.51 -1.08 0.00 0.00 178.44 177.66 1s6u s ILE 52 N -2.45 0.24 0.30 1.22 1.10 -1.21 -4.85 121.20 115.55 1s6u s ILE 52 Ca -0.16 -1.32 0.08 0.00 -0.51 0.00 0.00 60.65 58.74 1s6u s ILE 52 Cb 0.03 -0.84 -0.04 0.00 0.15 0.00 0.00 42.46 41.76 1s6u s ILE 52 CO 0.80 -0.68 0.18 -0.94 -2.11 0.00 0.00 174.94 172.19 1s6u s SER 53 N -2.09 5.07 0.25 4.50 1.04 -1.26 -4.50 113.70 116.71 1s6u s SER 53 Ca -0.05 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 1s6u s SER 53 Cb -0.03 -1.00 0.49 0.00 0.10 0.00 0.00 66.02 65.58 1s6u s SER 53 CO -0.04 -0.20 1.67 0.58 0.98 0.00 0.00 173.24 176.23 1s6u h VAL 54 N 1.49 0.45 -0.44 5.02 2.07 -1.99 -1.86 116.25 121.00 1s6u h VAL 54 Ca -0.45 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1s6u h VAL 54 Cb 1.25 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1s6u h VAL 54 CO 0.61 0.04 0.11 -0.08 0.02 0.00 0.00 177.57 178.27 1s6u h GLU 55 N 0.23 0.69 -0.15 1.57 4.57 -1.98 0.95 114.58 120.47 1s6u h GLU 55 Ca 0.43 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 1s6u h GLU 55 Cb 0.77 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 1s6u h GLU 55 CO -0.56 0.69 -0.30 0.93 -1.18 0.00 0.00 179.01 178.59 1s6u h GLU 56 N 0.57 -0.35 -0.13 1.92 3.07 -1.84 0.56 114.58 118.37 1s6u h GLU 56 Ca 0.14 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1s6u h GLU 56 Cb 0.30 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.24 1s6u h GLU 56 CO -0.00 -0.23 -0.41 0.52 -1.40 0.00 0.00 179.01 177.49 1s6u h MET 57 N -0.36 -0.40 0.70 2.33 2.86 -0.80 -0.41 114.93 118.84 1s6u h MET 57 Ca 0.10 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1s6u h MET 57 Cb 0.52 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.28 1s6u h MET 57 CO -0.35 -0.27 -0.33 -0.22 1.06 0.00 0.00 176.91 176.79 1s6u h LYS 58 N -0.42 -0.90 -0.70 1.72 3.64 -0.50 -0.49 116.57 118.92 1s6u h LYS 58 Ca 0.03 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.62 1s6u h LYS 58 Cb 0.50 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.40 1s6u h LYS 58 CO -0.35 -0.58 -0.02 -0.22 -2.27 0.00 0.00 179.45 176.02 1s6u h LYS 59 N -1.04 0.09 -0.20 1.90 3.11 0.10 0.72 116.57 121.25 1s6u h LYS 59 Ca -0.10 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.75 1s6u h LYS 59 Cb 0.74 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1s6u h LYS 59 CO 0.16 0.06 0.11 1.96 -2.81 0.00 0.00 179.45 178.93 1s6u h GLN 60 N 0.10 0.23 0.28 1.90 1.08 -0.96 -1.09 115.11 116.65 1s6u h GLN 60 Ca 0.37 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.54 1s6u h GLN 60 Cb 0.63 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1s6u h GLN 60 CO -0.62 0.15 -0.14 0.82 -0.95 0.00 0.00 178.83 178.09 1s6u h ILE 61 N 0.24 0.00 -0.81 2.54 2.04 0.97 -3.19 117.51 119.30 1s6u h ILE 61 Ca 0.08 -0.19 0.23 0.00 1.00 0.00 0.00 64.86 65.98 1s6u h ILE 61 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1s6u h ILE 61 CO -0.04 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.60 1s6u h GLU 62 N -0.57 0.02 -0.63 2.37 4.81 0.19 0.95 114.58 121.71 1s6u h GLU 62 Ca -0.04 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.32 1s6u h GLU 62 Cb 0.29 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1s6u h GLU 62 CO 0.06 0.01 0.43 0.00 -0.73 0.00 0.00 179.01 178.79 1s6u h ALA 63 N 1.60 2.16 -0.94 2.92 0.00 -1.18 0.12 119.26 123.93 1s6u h ALA 63 Ca 0.39 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1s6u h ALA 63 Cb 1.52 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1s6u h ALA 63 CO -0.01 -0.32 0.61 0.52 0.00 0.00 0.00 179.25 180.05 1s6u h MET 64 N 0.32 1.14 0.00 0.00 2.86 -0.83 -3.47 114.93 114.95 1s6u h MET 64 Ca 0.30 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1s6u h MET 64 Cb 0.75 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1s6u h MET 64 CO -0.08 0.75 0.00 0.41 1.06 0.00 0.00 176.91 179.06 1s6u n GLY 65 N -1.35 1.21 3.64 8.32 0.00 0.40 -5.11 105.19 112.29 1s6u n GLY 65 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.27 2.49 0.38 1.61 0.08 -1.26 -4.98 117.98 116.03 1s6u s PHE 66 Ca 0.00 0.75 -0.27 0.00 0.12 0.00 0.00 56.93 57.53 1s6u s PHE 66 Cb 0.00 -3.82 -0.09 0.00 -0.57 0.00 0.00 43.02 38.53 1s6u s PHE 66 CO 0.00 -2.26 1.28 -1.25 -0.10 0.00 0.00 175.22 172.89 1s6u s PRO 67 N 4.13 4.13 -0.01 0.24 0.04 -1.26 -3.99 135.00 138.27 1s6u s PRO 67 Ca 0.62 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1s6u s PRO 67 Cb -0.22 -2.86 0.01 0.00 0.04 0.00 0.00 34.50 31.47 1s6u s PRO 67 CO 0.23 -0.35 0.01 0.00 0.04 0.00 0.00 177.00 176.93 1s6u s ALA 68 N -1.24 0.09 -1.12 8.56 0.00 -1.26 -3.14 121.76 123.64 1s6u s ALA 68 Ca 0.54 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 1s6u s ALA 68 Cb -0.37 -0.14 0.28 0.00 0.00 0.00 0.00 23.12 22.88 1s6u s ALA 68 CO 0.49 -0.04 1.37 1.19 0.00 0.00 0.00 175.76 178.76 1s6u n PHE 69 N 3.62 3.70 -1.06 0.00 3.72 0.70 -4.90 117.46 123.24 1s6u n PHE 69 Ca -0.20 -3.18 -0.43 0.00 -0.05 0.00 0.00 57.45 53.59 1s6u n PHE 69 Cb 0.55 -1.56 -0.10 0.00 -0.94 0.00 0.00 39.48 37.42 1s6u n PHE 69 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1s6u n VAL 70 N 2.27 0.00 -2.90 -4.37 3.14 -1.26 -1.89 118.33 113.32 1s6u n VAL 70 Ca 0.27 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.44 1s6u n VAL 70 Cb 0.36 -0.40 0.09 0.00 -1.06 0.00 0.00 33.84 32.83 1s6u n VAL 70 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1s6u s LYS 71 N 5.54 1.98 0.76 1.45 2.47 0.42 -4.97 119.74 127.40 1s6u s LYS 71 Ca 1.00 -1.56 -0.12 0.00 -1.56 0.00 0.00 55.97 53.73 1s6u s LYS 71 Cb -1.14 -2.53 0.05 0.00 -1.46 0.00 0.00 37.83 32.75 1s6u s LYS 71 CO 0.49 -1.16 1.12 -1.59 0.16 0.00 0.00 175.35 174.37 1s6u s LYS 72 N -4.87 2.38 0.43 4.03 -2.85 -1.26 -4.48 119.74 113.11 1s6u s LYS 72 Ca 0.65 0.38 -0.22 0.00 -1.00 0.00 0.00 55.97 55.78 1s6u s LYS 72 Cb -0.05 -1.97 -0.10 0.00 -2.06 0.00 0.00 37.83 33.65 1s6u s LYS 72 CO 0.42 -1.35 0.98 0.96 0.10 0.00 0.00 175.35 176.45 1s6u s ILE 73 N -3.38 4.15 0.36 3.79 -4.36 -1.26 -4.23 121.20 116.26 1s6u s ILE 73 Ca 0.60 1.41 0.07 0.00 -0.26 0.00 0.00 60.65 62.48 1s6u s ILE 73 Cb -0.12 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 39.95 1s6u s ILE 73 CO 0.51 -0.21 0.32 -1.61 0.24 0.00 0.00 174.94 174.19 1s6u s GLU 74 N -3.00 2.68 0.26 0.37 2.02 -1.25 -5.05 118.70 114.74 1s6u s GLU 74 Ca 0.62 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1s6u s GLU 74 Cb -0.13 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1s6u s GLU 74 CO 0.17 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1s6u n GLY 75 N -1.43 -0.62 0.64 -1.39 0.00 -1.26 -4.60 105.19 96.53 1s6u n GLY 75 Ca -0.00 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1s6u n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86