#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 0.56 -0.05 1.61 1.03 -1.26 -4.68 118.70 115.91 1s6u s GLU 2 Ca 0.00 -0.09 0.04 0.00 0.03 0.00 0.00 54.97 54.95 1s6u s GLU 2 Cb 0.00 0.26 -0.00 0.00 -0.80 0.00 0.00 34.13 33.59 1s6u s GLU 2 CO 0.00 -0.22 -0.17 0.08 -1.33 0.00 0.00 175.26 173.62 1s6u s VAL 3 N -2.16 1.44 -0.02 1.83 1.01 0.41 -4.94 120.40 117.97 1s6u s VAL 3 Ca 0.04 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1s6u s VAL 3 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1s6u s VAL 3 CO -0.04 0.41 0.57 -0.69 0.00 0.00 0.00 175.10 175.35 1s6u s VAL 4 N 0.09 4.95 0.08 2.92 1.01 -1.24 -1.29 120.40 126.92 1s6u s VAL 4 Ca -0.05 1.19 0.09 0.00 0.00 0.00 0.00 61.98 63.21 1s6u s VAL 4 Cb -0.12 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1s6u s VAL 4 CO 0.03 0.41 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 1s6u s LEU 5 N -0.13 2.44 -0.21 3.92 1.43 0.17 -3.29 118.68 123.01 1s6u s LEU 5 Ca 0.30 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1s6u s LEU 5 Cb -0.18 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.68 1s6u s LEU 5 CO 0.16 0.22 -0.13 -0.75 0.23 0.00 0.00 176.35 176.08 1s6u s LYS 6 N -1.67 2.86 -0.19 1.70 2.47 -1.25 -1.38 119.74 122.28 1s6u s LYS 6 Ca 0.14 -0.94 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 1s6u s LYS 6 Cb -0.10 -2.77 0.02 0.00 -1.46 0.00 0.00 37.83 33.51 1s6u s LYS 6 CO 0.06 -0.32 -0.16 0.00 0.16 0.00 0.00 175.35 175.08 1s6u s MET 7 N 1.28 3.04 0.33 4.03 0.23 0.18 -1.98 119.30 126.42 1s6u s MET 7 Ca 0.01 -0.81 -0.28 0.00 -1.03 0.00 0.00 55.69 53.59 1s6u s MET 7 Cb -0.15 -2.68 -0.10 0.00 -1.53 0.00 0.00 34.83 30.38 1s6u s MET 7 CO -0.09 -0.22 1.23 0.15 -2.03 0.00 0.00 175.02 174.06 1s6u s LYS 8 N 1.32 4.37 0.05 3.16 3.01 -1.03 -0.01 119.74 130.62 1s6u s LYS 8 Ca 0.05 2.04 0.06 0.00 -1.01 0.00 0.00 55.97 57.11 1s6u s LYS 8 Cb -0.13 -3.03 -0.02 0.00 -1.01 0.00 0.00 37.83 33.63 1s6u s LYS 8 CO -0.11 -0.11 -0.17 0.14 0.51 0.00 0.00 175.35 175.62 1s6u s VAL 9 N -1.19 1.35 0.05 3.17 -7.23 -0.88 -0.33 120.40 115.34 1s6u s VAL 9 Ca 0.49 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 1s6u s VAL 9 Cb -0.36 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1s6u s VAL 9 CO 0.47 0.03 0.06 -1.61 -0.31 0.00 0.00 175.10 173.74 1s6u s GLU 10 N -1.30 2.87 0.00 4.82 0.41 -1.21 -4.36 118.70 119.93 1s6u s GLU 10 Ca 0.04 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.95 1s6u s GLU 10 Cb -0.09 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 1s6u s GLU 10 CO 0.02 0.59 0.00 0.41 -0.49 0.00 0.00 175.26 175.79 1s6u n GLY 11 N 0.78 2.17 3.56 -1.39 0.00 -1.26 -4.69 105.19 104.36 1s6u n GLY 11 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 1.86 -0.33 1.61 -1.94 -1.26 -4.69 119.30 114.55 1s6u s MET 12 Ca 0.00 0.53 0.17 0.00 -1.71 0.00 0.00 55.69 54.67 1s6u s MET 12 Cb 0.00 -4.78 0.45 0.00 2.01 0.00 0.00 34.83 32.51 1s6u s MET 12 CO 0.00 -4.04 1.06 2.41 -0.01 0.00 0.00 175.02 174.44 1s6u n THR 13 N 8.47 0.80 -3.47 2.05 -1.04 -1.26 -4.45 114.28 115.37 1s6u n THR 13 Ca 0.43 -2.68 -0.11 0.00 -2.04 0.00 0.00 64.05 59.65 1s6u n THR 13 Cb 0.46 0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 69.75 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 -0.08 0.00 0.10 0.00 8.25 -1.26 -3.46 115.22 118.77 1s6u n HIS 15 Ca -0.14 -1.05 0.00 0.00 -0.26 0.00 0.00 57.72 56.27 1s6u n HIS 15 Cb 0.62 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 2.00 0.48 0.23 0.41 7.64 -1.26 -4.62 113.62 118.50 1s6u n SER 16 Ca 0.16 0.31 -0.17 0.00 1.01 0.00 0.00 58.87 60.18 1s6u n SER 16 Cb 0.59 0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.86 0.16 -0.98 0.00 1.03 -1.91 -2.02 112.91 108.33 1s6u h THR 18 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 66.41 66.42 1s6u h THR 18 Cb 0.78 0.16 -0.06 0.00 -1.07 0.00 0.00 68.15 67.96 1s6u h THR 18 CO -0.11 0.00 0.63 -1.28 -0.01 0.00 0.00 175.52 174.75 1s6u h SER 19 N -0.60 1.03 -0.07 0.00 0.87 -1.75 0.22 113.55 113.25 1s6u h SER 19 Ca 0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1s6u h SER 19 Cb 0.66 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1s6u h SER 19 CO -0.29 0.67 0.04 0.74 -0.53 0.00 0.00 176.83 177.46 1s6u h THR 20 N 1.17 1.05 0.05 2.23 2.02 -0.39 0.13 112.91 119.18 1s6u h THR 20 Ca 0.41 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.47 1s6u h THR 20 Cb 0.11 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1s6u h THR 20 CO -0.16 0.04 -0.08 0.40 0.37 0.00 0.00 175.52 176.10 1s6u h ILE 21 N 0.06 0.80 -0.19 3.11 5.03 -0.42 0.48 117.51 126.38 1s6u h ILE 21 Ca 0.03 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.81 1s6u h ILE 21 Cb 0.03 0.80 -0.05 0.00 -3.03 0.00 0.00 36.82 34.58 1s6u h ILE 21 CO -0.00 0.00 -0.12 -0.33 -0.68 0.00 0.00 178.15 177.01 1s6u h GLU 22 N -0.16 -0.11 -0.10 2.37 5.08 -0.40 0.17 114.58 121.42 1s6u h GLU 22 Ca 0.02 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1s6u h GLU 22 Cb 0.18 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1s6u h GLU 22 CO -0.05 -0.08 -0.11 0.78 -1.00 0.00 0.00 179.01 178.56 1s6u h GLY 23 N -0.12 -0.03 0.95 -3.84 0.00 -0.64 0.15 103.07 99.54 1s6u h GLY 23 Ca 0.11 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1s6u h GLY 23 CO -0.26 -0.12 -0.44 1.70 0.00 0.00 0.00 176.54 177.42 1s6u h LYS 24 N -0.13 -1.18 -0.86 4.80 1.63 0.03 -2.97 116.57 117.88 1s6u h LYS 24 Ca 0.07 0.08 0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1s6u h LYS 24 Cb 0.24 0.27 -0.05 0.00 -0.60 0.00 0.00 32.23 32.08 1s6u h LYS 24 CO -0.18 -0.79 0.56 0.82 -3.45 0.00 0.00 179.45 176.41 1s6u h ILE 25 N -1.29 1.07 -1.14 2.00 1.08 -0.75 -1.04 117.51 117.44 1s6u h ILE 25 Ca -0.13 -0.34 0.33 0.00 -0.39 0.00 0.00 64.86 64.34 1s6u h ILE 25 Cb 0.94 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 34.59 1s6u h ILE 25 CO 0.21 0.18 0.74 1.23 -0.69 0.00 0.00 178.15 179.81 1s6u h GLY 26 N 0.98 1.24 1.29 5.37 0.00 -0.54 0.22 103.07 111.62 1s6u h GLY 26 Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1s6u h GLY 26 CO -0.13 -0.24 -0.13 1.17 0.00 0.00 0.00 176.54 177.21 1s6u n LYS 27 N -4.65 0.37 -2.74 4.80 4.81 -0.39 -4.91 118.16 115.45 1s6u n LYS 27 Ca 0.30 -0.10 -0.33 0.00 -0.87 0.00 0.00 58.31 57.30 1s6u n LYS 27 Cb 1.09 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.58 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 -2.70 3.94 -0.16 3.14 1.43 0.06 -5.04 118.68 119.35 1s6u s LEU 28 Ca 0.22 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 54.89 1s6u s LEU 28 Cb 0.19 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.86 1s6u s LEU 28 CO 0.52 -0.46 0.55 0.00 0.23 0.00 0.00 176.35 177.19 1s6u s GLN 29 N -3.14 4.27 0.00 1.70 -2.07 -1.26 -3.97 119.66 115.19 1s6u s GLN 29 Ca 0.63 0.51 0.00 0.00 -1.82 0.00 0.00 55.36 54.68 1s6u s GLN 29 Cb -0.11 -3.51 0.00 0.00 -1.09 0.00 0.00 33.01 28.29 1s6u s GLN 29 CO 0.15 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.49 1s6u n GLY 30 N 3.59 1.88 3.86 2.60 0.00 -1.26 -4.51 105.19 111.35 1s6u n GLY 30 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.61 4.77 -0.02 1.61 1.01 -1.25 -0.47 120.40 124.43 1s6u s VAL 31 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1s6u s VAL 31 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1s6u s VAL 31 CO 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 175.10 174.81 1s6u n GLN 32 N -0.64 0.05 -3.87 2.72 1.13 0.13 -4.87 117.38 112.04 1s6u n GLN 32 Ca 0.02 0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 55.02 1s6u n GLN 32 Cb 0.53 -1.00 -0.02 0.00 0.11 0.00 0.00 30.24 29.86 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 -2.04 1.81 -0.25 -1.09 3.52 0.05 -5.02 118.95 115.92 1s6u s ARG 33 Ca -0.03 -1.06 -0.23 0.00 -0.13 0.00 0.00 55.73 54.28 1s6u s ARG 33 Cb 0.01 0.60 0.06 0.00 -1.56 0.00 0.00 34.95 34.06 1s6u s ARG 33 CO 0.04 -0.82 0.66 -1.50 -0.81 0.00 0.00 175.30 172.88 1s6u s ILE 34 N -3.78 0.00 -0.40 4.11 2.07 -1.26 -0.20 121.20 121.74 1s6u s ILE 34 Ca 0.13 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1s6u s ILE 34 Cb -0.05 -0.92 0.16 0.00 0.13 0.00 0.00 42.46 41.77 1s6u s ILE 34 CO 0.08 -0.00 0.36 -0.54 -1.91 0.00 0.00 174.94 172.92 1s6u s LYS 35 N 0.34 0.77 -0.56 3.50 -0.14 0.29 -4.96 119.74 118.99 1s6u s LYS 35 Ca -0.00 -1.53 -0.19 0.00 -1.36 0.00 0.00 55.97 52.89 1s6u s LYS 35 Cb -0.05 -1.09 0.08 0.00 -1.68 0.00 0.00 37.83 35.10 1s6u s LYS 35 CO 0.01 -1.30 0.67 0.08 -0.76 0.00 0.00 175.35 174.06 1s6u s VAL 36 N 0.70 4.83 0.98 3.17 1.01 -1.26 -0.21 120.40 129.62 1s6u s VAL 36 Ca 0.25 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1s6u s VAL 36 Cb -0.07 -4.41 0.20 0.00 0.00 0.00 0.00 36.38 32.09 1s6u s VAL 36 CO -0.09 -1.00 1.28 -0.44 0.00 0.00 0.00 175.10 174.85 1s6u s SER 37 N 3.25 2.93 0.00 3.32 0.01 0.71 -4.91 113.70 119.01 1s6u s SER 37 Ca 0.13 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1s6u s SER 37 Cb -0.22 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1s6u s SER 37 CO 0.09 -2.85 0.00 0.00 0.41 0.00 0.00 173.24 170.88 1s6u n LEU 38 N -3.87 0.00 -0.04 2.44 -0.00 -1.26 -4.27 117.00 110.01 1s6u n LEU 38 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.02 1s6u n LEU 38 Cb 0.60 0.02 -0.09 0.00 -0.00 0.00 0.00 43.42 43.95 1s6u n LEU 38 CO 0.47 -0.44 0.50 0.44 -0.00 0.00 0.00 177.39 178.36 1s6u h ASP 39 N 0.00 -1.52 -0.34 1.45 5.19 -1.94 -0.19 116.42 119.06 1s6u h ASP 39 Ca 0.00 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1s6u h ASP 39 Cb 0.00 0.60 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1s6u h ASP 39 CO 0.00 -0.40 0.00 -3.20 -3.12 0.00 0.00 179.24 172.52 1s6u n ASN 40 N -5.02 3.68 -3.96 6.45 5.15 -1.26 -4.95 115.26 115.36 1s6u n ASN 40 Ca -0.05 -2.51 -0.37 0.00 -0.60 0.00 0.00 54.58 51.05 1s6u n ASN 40 Cb 0.32 -0.59 0.01 0.00 -0.53 0.00 0.00 39.78 38.99 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 0.38 -0.54 -3.83 1.20 6.02 -0.09 -4.95 117.38 115.58 1s6u n GLN 41 Ca 0.16 0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1s6u n GLN 41 Cb 0.78 -1.96 -0.10 0.00 1.02 0.00 0.00 30.24 29.99 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 -6.60 0.53 -0.06 -1.09 2.12 -1.26 -2.06 118.70 110.28 1s6u s GLU 42 Ca 0.33 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.38 1s6u s GLU 42 Cb -0.19 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.44 1s6u s GLU 42 CO 0.83 -0.13 -0.12 0.00 -0.54 0.00 0.00 175.26 175.30 1s6u s ALA 43 N -1.30 1.23 -0.20 6.30 0.00 0.99 -0.21 121.76 128.58 1s6u s ALA 43 Ca -0.14 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 1s6u s ALA 43 Cb -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1s6u s ALA 43 CO 0.02 0.12 0.10 0.99 0.00 0.00 0.00 175.76 176.99 1s6u s THR 44 N 0.61 5.06 -0.10 0.00 2.01 0.70 -0.64 115.64 123.27 1s6u s THR 44 Ca -0.13 0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1s6u s THR 44 Cb -0.15 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1s6u s THR 44 CO 0.03 0.44 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.59 1s6u s ILE 45 N 0.45 1.65 -0.29 1.82 -1.09 -0.48 -0.55 121.20 122.72 1s6u s ILE 45 Ca 0.05 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1s6u s ILE 45 Cb -0.12 -1.47 0.07 0.00 -1.58 0.00 0.00 42.46 39.36 1s6u s ILE 45 CO -0.00 0.47 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.43 1s6u s VAL 46 N 0.70 2.30 0.27 2.92 1.01 0.72 -0.65 120.40 127.66 1s6u s VAL 46 Ca -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.02 1s6u s VAL 46 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1s6u s VAL 46 CO 0.03 -0.19 0.35 -0.72 0.00 0.00 0.00 175.10 174.57 1s6u s TYR 47 N 1.07 0.95 -0.49 5.22 1.13 -0.41 -0.69 117.35 124.12 1s6u s TYR 47 Ca -0.03 -1.18 -0.16 0.00 -1.41 0.00 0.00 57.07 54.28 1s6u s TYR 47 Cb -0.20 -0.21 0.08 0.00 -1.10 0.00 0.00 41.96 40.53 1s6u s TYR 47 CO -0.05 -0.91 0.47 -1.14 -2.51 0.00 0.00 175.55 171.41 1s6u s GLN 48 N -3.74 3.01 0.60 -3.49 0.74 0.38 -0.44 119.66 116.72 1s6u s GLN 48 Ca 0.32 -1.31 0.32 0.00 0.05 0.00 0.00 55.36 54.73 1s6u s GLN 48 Cb 0.02 -4.16 1.88 0.00 1.10 0.00 0.00 33.01 31.86 1s6u s GLN 48 CO 0.15 -1.13 2.23 -1.00 -0.55 0.00 0.00 175.29 174.99 1s6u h PRO 49 N 8.84 0.00 0.00 1.67 0.13 -1.87 0.37 132.00 141.15 1s6u h PRO 49 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1s6u h PRO 49 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1s6u h PRO 49 CO 0.93 0.00 -0.00 1.25 -0.23 0.00 0.00 178.00 179.95 1s6u h HIS 50 N 0.00 0.00 0.00 1.56 2.76 -1.95 -3.36 115.15 114.16 1s6u h HIS 50 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1s6u h HIS 50 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1s6u h HIS 50 CO 0.00 0.00 -0.32 1.28 -1.30 0.00 0.00 177.93 177.59 1s6u n LEU 51 N -3.48 0.85 -4.57 0.26 4.77 0.10 -5.09 117.00 109.84 1s6u n LEU 51 Ca -0.03 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 1s6u n LEU 51 Cb 0.08 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1s6u n LEU 51 CO 0.24 -0.48 -0.38 -0.51 -1.33 0.00 0.00 177.39 174.93 1s6u s ILE 52 N -1.82 2.86 0.27 -0.08 1.10 -1.05 -4.99 121.20 117.49 1s6u s ILE 52 Ca -0.09 -2.12 0.05 0.00 -0.51 0.00 0.00 60.65 57.98 1s6u s ILE 52 Cb 0.01 -2.63 -0.06 0.00 0.15 0.00 0.00 42.46 39.94 1s6u s ILE 52 CO 0.14 -0.34 -0.03 -0.94 -2.11 0.00 0.00 174.94 171.66 1s6u s SER 53 N -3.62 2.42 0.28 4.50 1.04 -1.26 -4.04 113.70 113.01 1s6u s SER 53 Ca 0.32 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1s6u s SER 53 Cb -0.04 -0.10 0.65 0.00 0.10 0.00 0.00 66.02 66.62 1s6u s SER 53 CO 0.18 -0.42 1.66 0.58 0.98 0.00 0.00 173.24 176.22 1s6u h VAL 54 N 2.33 0.38 -0.80 5.02 2.07 -1.99 -0.43 116.25 122.83 1s6u h VAL 54 Ca -0.39 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1s6u h VAL 54 Cb 1.23 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1s6u h VAL 54 CO 0.67 0.04 0.49 -0.08 0.02 0.00 0.00 177.57 178.71 1s6u h GLU 55 N 0.24 1.07 0.22 1.57 4.57 -1.98 0.20 114.58 120.48 1s6u h GLU 55 Ca 0.52 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1s6u h GLU 55 Cb 1.00 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1s6u h GLU 55 CO -0.61 0.74 -0.11 1.49 -1.18 0.00 0.00 179.01 179.34 1s6u h GLU 56 N 1.09 -0.29 -0.48 1.92 4.22 -1.49 0.26 114.58 119.81 1s6u h GLU 56 Ca 0.29 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.80 1s6u h GLU 56 Cb -0.07 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1s6u h GLU 56 CO -0.06 0.06 -0.55 0.52 -2.18 0.00 0.00 179.01 176.80 1s6u h MET 57 N -0.69 -0.34 0.31 1.92 2.86 -1.19 0.69 114.93 118.48 1s6u h MET 57 Ca -0.03 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1s6u h MET 57 Cb 0.48 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1s6u h MET 57 CO 0.05 -0.22 -0.15 -0.22 1.06 0.00 0.00 176.91 177.43 1s6u h LYS 58 N -0.35 -0.40 -0.64 1.72 3.11 -0.56 0.53 116.57 119.98 1s6u h LYS 58 Ca 0.09 0.03 0.13 0.00 -2.81 0.00 0.00 60.65 58.09 1s6u h LYS 58 Cb 0.58 0.09 -0.10 0.00 -1.00 0.00 0.00 32.23 31.80 1s6u h LYS 58 CO -0.64 -0.14 0.09 -0.22 -2.81 0.00 0.00 179.45 175.73 1s6u h LYS 59 N -0.62 0.20 -0.12 1.90 1.63 -0.35 0.67 116.57 119.88 1s6u h LYS 59 Ca -0.04 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1s6u h LYS 59 Cb 0.44 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1s6u h LYS 59 CO 0.07 0.13 0.07 1.96 -3.45 0.00 0.00 179.45 178.23 1s6u h GLN 60 N 0.21 0.14 0.32 1.90 1.08 -0.66 0.65 115.11 118.74 1s6u h GLN 60 Ca 0.34 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 1s6u h GLN 60 Cb 0.54 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1s6u h GLN 60 CO -0.47 0.09 -0.15 0.82 -0.95 0.00 0.00 178.83 178.17 1s6u h ILE 61 N 0.14 0.00 -1.08 2.54 2.04 0.61 -3.20 117.51 118.56 1s6u h ILE 61 Ca 0.05 -0.29 0.30 0.00 1.00 0.00 0.00 64.86 65.91 1s6u h ILE 61 Cb 0.00 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.98 1s6u h ILE 61 CO -0.03 0.00 0.69 -0.08 0.00 0.00 0.00 178.15 178.74 1s6u h GLU 62 N -0.72 0.33 -0.61 2.37 4.81 0.17 0.66 114.58 121.60 1s6u h GLU 62 Ca -0.04 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1s6u h GLU 62 Cb 0.33 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1s6u h GLU 62 CO 0.07 0.22 0.42 0.00 -0.73 0.00 0.00 179.01 178.99 1s6u h ALA 63 N 1.63 2.17 -0.04 2.92 0.00 -0.86 0.24 119.26 125.32 1s6u h ALA 63 Ca 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 1s6u h ALA 63 Cb 1.69 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1s6u h ALA 63 CO -0.33 -0.32 -0.02 0.52 0.00 0.00 0.00 179.25 179.10 1s6u h MET 64 N 0.30 0.05 0.00 0.00 2.86 -0.88 -3.46 114.93 113.80 1s6u h MET 64 Ca 0.29 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1s6u h MET 64 Cb 0.74 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1s6u h MET 64 CO -0.07 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.39 1s6u n GLY 65 N -1.41 1.43 3.62 8.32 0.00 0.84 -5.10 105.19 112.90 1s6u n GLY 65 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.53 3.14 0.42 1.61 0.08 -1.25 -5.00 117.98 115.46 1s6u s PHE 66 Ca 0.00 1.00 -0.25 0.00 0.12 0.00 0.00 56.93 57.81 1s6u s PHE 66 Cb 0.00 -3.58 -0.08 0.00 -0.57 0.00 0.00 43.02 38.79 1s6u s PHE 66 CO 0.00 -0.74 1.23 -1.25 -0.10 0.00 0.00 175.22 174.37 1s6u s PRO 67 N 3.45 3.90 -0.00 0.24 0.04 -1.26 -3.98 135.00 137.39 1s6u s PRO 67 Ca 0.41 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.42 1s6u s PRO 67 Cb -0.13 -2.63 -0.00 0.00 0.04 0.00 0.00 34.50 31.78 1s6u s PRO 67 CO 0.16 -0.49 0.01 0.00 0.04 0.00 0.00 177.00 176.71 1s6u s ALA 68 N -1.37 -0.01 -0.81 8.56 0.00 -1.26 -3.30 121.76 123.57 1s6u s ALA 68 Ca 0.59 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1s6u s ALA 68 Cb -0.34 0.00 0.21 0.00 0.00 0.00 0.00 23.12 23.00 1s6u s ALA 68 CO 0.43 -0.02 0.72 1.19 0.00 0.00 0.00 175.76 178.07 1s6u n PHE 69 N 2.89 3.74 -1.62 0.00 3.72 0.55 -4.92 117.46 121.83 1s6u n PHE 69 Ca -0.13 -4.13 -0.38 0.00 -0.05 0.00 0.00 57.45 52.75 1s6u n PHE 69 Cb 0.59 -0.90 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -1.63 3.05 -0.42 -4.37 0.11 -1.26 -2.46 120.40 113.42 1s6u s VAL 70 Ca 0.28 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 1s6u s VAL 70 Cb -0.03 -3.10 0.35 0.00 -1.53 0.00 0.00 36.38 32.07 1s6u s VAL 70 CO -0.12 -0.09 1.10 2.29 -3.33 0.00 0.00 175.10 174.95 1s6u n LYS 71 N 8.93 1.06 -3.47 1.54 2.85 -0.84 -4.98 118.16 123.26 1s6u n LYS 71 Ca 0.33 -2.23 -0.13 0.00 -1.05 0.00 0.00 58.31 55.23 1s6u n LYS 71 Cb 0.52 -0.93 -0.03 0.00 -0.65 0.00 0.00 35.03 33.93 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 -0.41 1.21 -0.44 -1.58 2.47 -1.22 -4.91 119.74 114.85 1s6u s LYS 72 Ca 0.25 -0.37 0.07 0.00 -1.56 0.00 0.00 55.97 54.36 1s6u s LYS 72 Cb 0.34 0.55 0.29 0.00 -1.46 0.00 0.00 37.83 37.55 1s6u s LYS 72 CO -0.06 -0.50 0.87 1.51 0.16 0.00 0.00 175.35 177.33 1s6u n ILE 73 N -0.12 -0.15 -2.52 5.43 3.06 -1.26 -3.84 119.36 119.95 1s6u n ILE 73 Ca -0.17 -2.47 -0.40 0.00 -2.50 0.00 0.00 62.75 57.20 1s6u n ILE 73 Cb 0.63 0.58 -0.03 0.00 0.54 0.00 0.00 39.64 41.36 1s6u n ILE 73 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1s6u s GLU 74 N -0.30 3.40 0.00 9.51 2.02 -1.21 -4.89 118.70 127.23 1s6u s GLU 74 Ca 0.31 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1s6u s GLU 74 Cb 0.26 -4.96 0.00 0.00 0.10 0.00 0.00 34.13 29.53 1s6u s GLU 74 CO -0.13 -2.26 0.00 0.41 0.02 0.00 0.00 175.26 173.30 1s6u n GLY 75 N 6.39 1.13 3.35 -1.39 0.00 -1.26 -3.60 105.19 109.81 1s6u n GLY 75 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19