#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 3.82 -0.15 1.61 0.41 -1.26 -4.83 118.70 118.30 1s6u s GLU 2 Ca 0.00 0.83 -0.00 0.00 -0.41 0.00 0.00 54.97 55.39 1s6u s GLU 2 Cb 0.00 -2.15 -0.01 0.00 -1.78 0.00 0.00 34.13 30.19 1s6u s GLU 2 CO 0.00 -0.34 -0.13 0.14 -0.49 0.00 0.00 175.26 174.44 1s6u s VAL 3 N -2.77 2.99 -0.32 2.63 -7.23 0.25 -4.74 120.40 111.21 1s6u s VAL 3 Ca 0.57 -0.67 -0.20 0.00 -1.81 0.00 0.00 61.98 59.87 1s6u s VAL 3 Cb -0.10 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1s6u s VAL 3 CO 0.38 0.51 0.61 0.54 -0.31 0.00 0.00 175.10 176.83 1s6u s VAL 4 N 0.60 4.95 -0.29 1.32 0.11 0.83 -0.93 120.40 126.98 1s6u s VAL 4 Ca -0.07 0.74 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 1s6u s VAL 4 Cb -0.16 -4.00 -0.04 0.00 -1.53 0.00 0.00 36.38 30.66 1s6u s VAL 4 CO 0.03 -0.17 0.18 -0.76 -3.33 0.00 0.00 175.10 171.06 1s6u s LEU 5 N 2.58 4.08 -0.29 2.54 2.01 0.47 -1.49 118.68 128.57 1s6u s LEU 5 Ca 0.24 -0.17 -0.14 0.00 0.01 0.00 0.00 54.13 54.07 1s6u s LEU 5 Cb -0.15 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 43.92 1s6u s LEU 5 CO 0.12 -0.10 0.33 -0.75 1.01 0.00 0.00 176.35 176.96 1s6u s LYS 6 N 1.72 3.91 -0.14 1.70 2.47 -1.12 -0.95 119.74 127.33 1s6u s LYS 6 Ca 0.07 -0.14 0.02 0.00 -1.56 0.00 0.00 55.97 54.36 1s6u s LYS 6 Cb -0.16 -3.69 0.01 0.00 -1.46 0.00 0.00 37.83 32.53 1s6u s LYS 6 CO 0.10 -0.30 -0.20 0.00 0.16 0.00 0.00 175.35 175.10 1s6u s MET 7 N 1.99 2.80 -0.25 4.03 0.23 0.19 -2.46 119.30 125.82 1s6u s MET 7 Ca 0.12 -0.77 -0.27 0.00 -1.03 0.00 0.00 55.69 53.75 1s6u s MET 7 Cb -0.16 -2.31 0.00 0.00 -1.53 0.00 0.00 34.83 30.84 1s6u s MET 7 CO 0.11 -0.06 0.94 0.21 -2.03 0.00 0.00 175.02 174.19 1s6u s LYS 8 N 0.94 4.18 -0.06 3.16 2.36 -1.01 -0.08 119.74 129.22 1s6u s LYS 8 Ca -0.05 1.09 -0.01 0.00 -2.55 0.00 0.00 55.97 54.45 1s6u s LYS 8 Cb -0.15 -3.66 0.03 0.00 -1.05 0.00 0.00 37.83 32.99 1s6u s LYS 8 CO -0.04 -0.63 -0.01 0.54 1.55 0.00 0.00 175.35 176.77 1s6u s VAL 9 N 3.10 0.42 0.48 4.02 0.11 -1.23 -0.35 120.40 126.95 1s6u s VAL 9 Ca 0.40 0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 59.41 1s6u s VAL 9 Cb -0.15 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1s6u s VAL 9 CO 0.08 0.25 0.83 -1.61 -3.33 0.00 0.00 175.10 171.33 1s6u s GLU 10 N 1.69 3.68 0.00 1.54 0.41 -1.20 -4.46 118.70 120.36 1s6u s GLU 10 Ca 0.01 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.02 1s6u s GLU 10 Cb -0.13 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 1s6u s GLU 10 CO -0.04 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.94 1s6u n GLY 11 N -1.90 3.12 3.60 -1.39 0.00 -1.26 -4.57 105.19 102.78 1s6u n GLY 11 Ca 0.03 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 3.04 0.00 1.61 -1.94 -1.26 -4.72 119.30 116.03 1s6u s MET 12 Ca 0.00 1.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.94 1s6u s MET 12 Cb 0.00 -4.39 0.00 0.00 2.01 0.00 0.00 34.83 32.45 1s6u s MET 12 CO 0.00 -2.21 0.81 2.41 -0.01 0.00 0.00 175.02 176.01 1s6u n THR 13 N 7.78 0.00 -3.60 2.05 -1.04 -1.26 -4.64 114.28 113.57 1s6u n THR 13 Ca 0.30 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.15 1s6u n THR 13 Cb 0.46 0.36 -0.07 0.00 -1.82 0.00 0.00 70.33 69.26 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 1.21 0.18 0.01 0.00 -0.00 -1.26 -3.57 115.22 111.78 1s6u n HIS 15 Ca -0.19 -1.22 0.00 0.00 0.46 0.00 0.00 57.72 56.77 1s6u n HIS 15 Cb 0.57 -0.80 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 1s6u n HIS 15 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1s6u n SER 16 N 1.59 0.09 -0.09 0.26 7.64 -1.26 -4.63 113.62 117.21 1s6u n SER 16 Ca 0.13 0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.96 1s6u n SER 16 Cb 0.60 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.22 0.24 -0.41 0.00 1.03 -1.90 -0.67 112.91 110.97 1s6u h THR 18 Ca 0.17 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.56 1s6u h THR 18 Cb 0.49 0.24 -0.02 0.00 -1.07 0.00 0.00 68.15 67.79 1s6u h THR 18 CO -0.47 0.00 0.24 -1.28 -0.01 0.00 0.00 175.52 174.00 1s6u h SER 19 N -0.44 0.49 -0.13 0.00 0.87 -1.50 0.22 113.55 113.06 1s6u h SER 19 Ca 0.09 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1s6u h SER 19 Cb 0.58 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1s6u h SER 19 CO -0.36 0.41 -0.12 0.74 -0.53 0.00 0.00 176.83 176.97 1s6u h THR 20 N 0.54 0.66 -0.19 2.23 2.02 -0.55 0.12 112.91 117.74 1s6u h THR 20 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1s6u h THR 20 Cb 0.01 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1s6u h THR 20 CO -0.03 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.38 1s6u h ILE 21 N -0.14 1.07 -0.47 3.11 2.04 -0.63 -0.04 117.51 122.44 1s6u h ILE 21 Ca 0.09 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.88 1s6u h ILE 21 Cb 0.27 0.84 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 1s6u h ILE 21 CO -0.22 0.07 -0.21 -0.33 0.00 0.00 0.00 178.15 177.46 1s6u h GLU 22 N 0.24 -0.10 0.55 2.37 5.08 -0.21 0.12 114.58 122.63 1s6u h GLU 22 Ca 0.07 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1s6u h GLU 22 Cb 0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1s6u h GLU 22 CO -0.01 -0.07 -0.51 0.78 -1.00 0.00 0.00 179.01 178.20 1s6u h GLY 23 N -0.11 -1.28 0.83 -3.84 0.00 -0.47 0.14 103.07 98.33 1s6u h GLY 23 Ca 0.22 0.59 0.02 0.00 0.00 0.00 0.00 47.33 48.16 1s6u h GLY 23 CO -0.54 -0.39 0.05 1.70 0.00 0.00 0.00 176.54 177.37 1s6u h LYS 24 N -1.05 0.14 -0.07 4.80 3.11 -0.22 -0.46 116.57 122.81 1s6u h LYS 24 Ca -0.07 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.72 1s6u h LYS 24 Cb 0.90 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1s6u h LYS 24 CO -0.04 0.09 -0.12 0.82 -2.81 0.00 0.00 179.45 177.40 1s6u h ILE 25 N 0.14 1.41 -0.96 2.00 1.08 -0.85 -3.18 117.51 117.15 1s6u h ILE 25 Ca 0.08 -1.39 0.23 0.00 -0.39 0.00 0.00 64.86 63.39 1s6u h ILE 25 Cb 0.06 2.17 -0.07 0.00 -3.07 0.00 0.00 36.82 35.90 1s6u h ILE 25 CO -0.10 0.39 0.63 1.23 -0.69 0.00 0.00 178.15 179.61 1s6u h GLY 26 N -0.28 0.95 2.00 5.37 0.00 -0.48 -0.21 103.07 110.42 1s6u h GLY 26 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1s6u h GLY 26 CO 0.03 -0.04 0.00 1.70 0.00 0.00 0.00 176.54 178.22 1s6u h LYS 27 N 0.39 0.00 -6.80 4.80 3.64 -1.06 -3.45 116.57 114.09 1s6u h LYS 27 Ca 0.51 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 59.39 1s6u h LYS 27 Cb 1.31 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1s6u h LYS 27 CO -0.21 0.00 0.49 -0.51 -2.27 0.00 0.00 179.45 176.95 1s6u s LEU 28 N -5.03 4.54 -0.69 5.20 1.43 -0.09 -4.93 118.68 119.10 1s6u s LEU 28 Ca 0.02 2.28 -0.26 0.00 -1.03 0.00 0.00 54.13 55.15 1s6u s LEU 28 Cb 0.09 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1s6u s LEU 28 CO 0.42 -0.18 1.87 0.00 0.23 0.00 0.00 176.35 178.69 1s6u s GLN 29 N -1.37 2.63 0.00 1.70 -2.07 -1.26 -2.83 119.66 116.46 1s6u s GLN 29 Ca 0.45 0.35 0.00 0.00 -1.82 0.00 0.00 55.36 54.34 1s6u s GLN 29 Cb -0.32 -4.56 0.00 0.00 -1.09 0.00 0.00 33.01 27.03 1s6u s GLN 29 CO 0.41 -2.88 0.00 0.41 -1.32 0.00 0.00 175.29 171.91 1s6u n GLY 30 N 6.00 0.36 3.79 2.60 0.00 -1.26 -4.36 105.19 112.31 1s6u n GLY 30 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 5.01 -0.11 1.61 1.01 -1.13 -0.59 120.40 126.20 1s6u s VAL 31 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.12 1s6u s VAL 31 Cb 0.00 -3.16 -0.24 0.00 0.00 0.00 0.00 36.38 32.98 1s6u s VAL 31 CO 0.00 0.61 0.41 0.00 0.00 0.00 0.00 175.10 176.11 1s6u n GLN 32 N 2.13 0.66 -3.61 2.72 10.64 -0.02 -4.98 117.38 124.92 1s6u n GLN 32 Ca -0.19 0.20 -0.04 0.00 -1.83 0.00 0.00 57.00 55.14 1s6u n GLN 32 Cb 0.54 -1.69 -0.01 0.00 -0.86 0.00 0.00 30.24 28.22 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1s6u s ARG 33 N -2.56 0.64 -0.22 2.61 3.52 -1.16 -5.06 118.95 116.72 1s6u s ARG 33 Ca -0.10 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.01 1s6u s ARG 33 Cb 0.07 0.25 0.06 0.00 -1.56 0.00 0.00 34.95 33.77 1s6u s ARG 33 CO 0.81 -0.29 0.57 -1.50 -0.81 0.00 0.00 175.30 174.09 1s6u s ILE 34 N -2.77 -0.00 -0.35 4.11 2.07 -1.26 -0.81 121.20 122.19 1s6u s ILE 34 Ca 0.10 0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1s6u s ILE 34 Cb 0.00 -0.81 0.13 0.00 0.13 0.00 0.00 42.46 41.92 1s6u s ILE 34 CO -0.04 0.00 0.19 -0.54 -1.91 0.00 0.00 174.94 172.64 1s6u s LYS 35 N 0.48 0.61 -0.34 3.50 -0.14 0.83 -5.01 119.74 119.67 1s6u s LYS 35 Ca -0.01 -1.28 -0.17 0.00 -1.36 0.00 0.00 55.97 53.15 1s6u s LYS 35 Cb -0.04 -1.48 -0.01 0.00 -1.68 0.00 0.00 37.83 34.62 1s6u s LYS 35 CO -0.02 -1.15 0.48 0.08 -0.76 0.00 0.00 175.35 173.98 1s6u s VAL 36 N 1.18 5.05 -0.45 3.17 1.01 -1.26 -0.43 120.40 128.67 1s6u s VAL 36 Ca 0.16 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 1s6u s VAL 36 Cb -0.22 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.33 1s6u s VAL 36 CO -0.07 -0.17 0.33 -0.44 0.00 0.00 0.00 175.10 174.74 1s6u s SER 37 N 1.74 5.79 0.05 3.32 0.01 0.79 -4.97 113.70 120.43 1s6u s SER 37 Ca 0.17 -1.59 -0.23 0.00 1.31 0.00 0.00 55.95 55.62 1s6u s SER 37 Cb -0.16 -2.05 -0.15 0.00 0.21 0.00 0.00 66.02 63.88 1s6u s SER 37 CO 0.13 -0.62 1.50 0.17 0.41 0.00 0.00 173.24 174.82 1s6u h LEU 38 N 8.52 0.13 -0.11 2.44 -0.00 -1.82 -0.32 115.31 124.14 1s6u h LEU 38 Ca -0.24 -0.27 0.05 0.00 -0.00 0.00 0.00 57.88 57.41 1s6u h LEU 38 Cb 1.09 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.65 1s6u h LEU 38 CO 0.83 0.37 -0.29 0.44 -0.00 0.00 0.00 178.44 179.79 1s6u h ASP 39 N -0.12 -0.90 -0.10 0.17 5.19 -1.94 0.48 116.42 119.21 1s6u h ASP 39 Ca 0.02 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1s6u h ASP 39 Cb 0.30 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1s6u h ASP 39 CO 0.00 -0.34 0.00 -3.20 -3.12 0.00 0.00 179.24 172.58 1s6u n ASN 40 N -5.40 0.82 -4.00 6.45 5.15 -1.23 -4.94 115.26 112.12 1s6u n ASN 40 Ca -0.03 -1.66 -0.36 0.00 -0.60 0.00 0.00 54.58 51.93 1s6u n ASN 40 Cb 0.31 -0.06 0.01 0.00 -0.53 0.00 0.00 39.78 39.51 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1s6u n GLN 41 N -0.20 -0.41 -4.00 1.20 7.27 0.16 -4.97 117.38 116.43 1s6u n GLN 41 Ca 0.13 -0.08 -0.10 0.00 0.07 0.00 0.00 57.00 57.02 1s6u n GLN 41 Cb 0.18 -1.62 -0.11 0.00 2.41 0.00 0.00 30.24 31.10 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 -6.87 0.35 -0.14 3.69 2.12 -0.25 -3.47 118.70 114.14 1s6u s GLU 42 Ca 0.37 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1s6u s GLU 42 Cb -0.21 -0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.18 1s6u s GLU 42 CO 0.74 -0.01 -0.11 0.00 -0.54 0.00 0.00 175.26 175.33 1s6u s ALA 43 N -1.31 1.67 -0.33 6.30 0.00 0.89 -0.15 121.76 128.83 1s6u s ALA 43 Ca -0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 1s6u s ALA 43 Cb -0.09 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 1s6u s ALA 43 CO -0.01 -0.43 0.19 0.99 0.00 0.00 0.00 175.76 176.51 1s6u s THR 44 N 1.56 4.80 -0.23 0.00 2.01 0.43 -0.63 115.64 123.58 1s6u s THR 44 Ca 0.05 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.60 1s6u s THR 44 Cb -0.13 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.91 1s6u s THR 44 CO -0.10 -0.02 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.08 1s6u s ILE 45 N 1.64 2.53 -0.38 1.82 1.09 -0.13 -0.12 121.20 127.64 1s6u s ILE 45 Ca 0.05 -1.12 -0.06 0.00 -1.10 0.00 0.00 60.65 58.41 1s6u s ILE 45 Cb -0.18 -2.27 0.07 0.00 -1.06 0.00 0.00 42.46 39.03 1s6u s ILE 45 CO 0.08 0.24 0.18 -0.69 -0.10 0.00 0.00 174.94 174.65 1s6u s VAL 46 N 1.27 3.76 0.32 2.92 1.01 0.01 -0.40 120.40 129.29 1s6u s VAL 46 Ca -0.00 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.53 1s6u s VAL 46 Cb -0.16 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1s6u s VAL 46 CO -0.07 -0.43 0.06 -0.72 0.00 0.00 0.00 175.10 173.94 1s6u s TYR 47 N 1.33 1.92 -0.38 5.22 1.13 -0.11 -0.84 117.35 125.64 1s6u s TYR 47 Ca 0.02 -0.97 -0.12 0.00 -1.41 0.00 0.00 57.07 54.60 1s6u s TYR 47 Cb -0.22 -1.24 0.02 0.00 -1.10 0.00 0.00 41.96 39.42 1s6u s TYR 47 CO 0.00 -0.01 0.23 -1.14 -2.51 0.00 0.00 175.55 172.12 1s6u s GLN 48 N -3.90 2.95 -1.17 -3.49 0.74 0.24 -0.58 119.66 114.45 1s6u s GLN 48 Ca 0.36 -1.00 -0.21 0.00 0.05 0.00 0.00 55.36 54.56 1s6u s GLN 48 Cb 0.08 -3.78 -0.06 0.00 1.10 0.00 0.00 33.01 30.35 1s6u s GLN 48 CO 0.15 -0.67 1.90 -0.35 -0.55 0.00 0.00 175.29 175.77 1s6u n PRO 49 N 5.04 2.00 0.00 1.67 -0.04 -1.26 -1.81 135.00 140.61 1s6u n PRO 49 Ca -0.12 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 1s6u n PRO 49 Cb 0.47 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.37 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 11.84 0.00 -0.06 0.54 8.25 -1.26 -5.01 115.22 129.51 1s6u n HIS 50 Ca 0.47 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.79 1s6u n HIS 50 Cb 0.45 0.00 -0.12 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 -0.00 0.00 2.41 3.38 -1.69 -3.48 115.31 115.92 1s6u h LEU 51 Ca 0.00 -0.91 -0.48 0.00 0.09 0.00 0.00 57.88 56.58 1s6u h LEU 51 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1s6u h LEU 51 CO 0.00 0.91 -0.41 0.00 0.09 0.00 0.00 178.44 179.04 1s6u n ILE 52 N -4.65 0.00 -3.96 1.22 0.13 -1.24 -4.88 119.36 105.98 1s6u n ILE 52 Ca -0.10 -2.08 -0.09 0.00 -1.10 0.00 0.00 62.75 59.38 1s6u n ILE 52 Cb 0.44 0.76 -0.10 0.00 -0.84 0.00 0.00 39.64 39.90 1s6u n ILE 52 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1s6u s SER 53 N -3.18 0.23 0.30 9.51 1.04 -1.26 -4.68 113.70 115.65 1s6u s SER 53 Ca 0.19 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 56.07 1s6u s SER 53 Cb 0.01 0.21 0.79 0.00 0.10 0.00 0.00 66.02 67.13 1s6u s SER 53 CO 0.13 -0.51 1.67 0.58 0.98 0.00 0.00 173.24 176.10 1s6u h VAL 54 N 3.67 0.38 -0.76 5.02 2.07 -1.99 -0.61 116.25 124.04 1s6u h VAL 54 Ca -0.33 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1s6u h VAL 54 Cb 1.18 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1s6u h VAL 54 CO 0.52 0.06 0.30 -0.08 0.02 0.00 0.00 177.57 178.38 1s6u h GLU 55 N 0.32 1.13 0.12 1.57 4.57 -1.98 0.17 114.58 120.48 1s6u h GLU 55 Ca 0.59 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.56 1s6u h GLU 55 Cb 1.20 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1s6u h GLU 55 CO -0.59 0.92 -0.06 0.93 -1.18 0.00 0.00 179.01 179.03 1s6u h GLU 56 N 1.10 -0.16 -0.20 1.92 4.39 -1.55 0.31 114.58 120.39 1s6u h GLU 56 Ca 0.25 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.00 1s6u h GLU 56 Cb 0.21 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 1s6u h GLU 56 CO -0.02 0.05 -0.48 0.52 -1.16 0.00 0.00 179.01 177.92 1s6u h MET 57 N -0.35 -0.44 0.72 2.33 2.86 -0.93 0.11 114.93 119.24 1s6u h MET 57 Ca -0.02 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1s6u h MET 57 Cb 0.28 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1s6u h MET 57 CO 0.03 -0.29 -0.48 -0.22 1.06 0.00 0.00 176.91 177.01 1s6u h LYS 58 N -0.46 -1.10 -0.72 1.72 3.64 -0.64 -0.44 116.57 118.58 1s6u h LYS 58 Ca 0.04 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1s6u h LYS 58 Cb 0.57 0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.55 1s6u h LYS 58 CO -0.43 -0.73 0.27 -0.22 -2.27 0.00 0.00 179.45 176.07 1s6u h LYS 59 N -1.14 0.41 -0.10 1.90 3.11 -0.13 0.83 116.57 121.46 1s6u h LYS 59 Ca -0.09 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.74 1s6u h LYS 59 Cb 0.92 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.04 1s6u h LYS 59 CO 0.08 0.27 -0.03 1.96 -2.81 0.00 0.00 179.45 178.92 1s6u h GLN 60 N 0.43 -0.00 0.28 1.90 1.08 -0.72 0.08 115.11 118.16 1s6u h GLN 60 Ca 0.39 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.57 1s6u h GLN 60 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1s6u h GLN 60 CO -0.39 -0.00 -0.13 0.82 -0.95 0.00 0.00 178.83 178.18 1s6u h ILE 61 N -0.00 0.00 -1.03 2.54 2.04 0.13 -3.23 117.51 117.96 1s6u h ILE 61 Ca 0.05 -0.25 0.32 0.00 1.00 0.00 0.00 64.86 65.98 1s6u h ILE 61 Cb 0.08 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.01 1s6u h ILE 61 CO -0.10 0.00 0.60 -0.08 0.00 0.00 0.00 178.15 178.56 1s6u h GLU 62 N -0.62 0.32 -0.69 2.37 4.81 0.37 0.12 114.58 121.25 1s6u h GLU 62 Ca -0.04 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.33 1s6u h GLU 62 Cb 0.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 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 1.81 2.29 -0.98 2.92 0.00 -0.99 0.20 119.26 124.52 1s6u h ALA 63 Ca 0.73 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.72 1s6u h ALA 63 Cb 1.70 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 1s6u h ALA 63 CO -0.57 -0.49 0.63 0.52 0.00 0.00 0.00 179.25 179.34 1s6u h MET 64 N 0.25 1.03 0.00 0.00 2.86 -0.78 -3.46 114.93 114.83 1s6u h MET 64 Ca 0.34 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1s6u h MET 64 Cb 0.97 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1s6u h MET 64 CO -0.08 0.68 0.00 0.41 1.06 0.00 0.00 176.91 178.99 1s6u n GLY 65 N -1.37 0.98 3.59 8.32 0.00 0.69 -5.12 105.19 112.28 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 0.00 3.00 0.09 1.61 0.08 -1.24 -5.00 117.98 116.53 1s6u s PHE 66 Ca 0.00 0.60 -0.31 0.00 0.12 0.00 0.00 56.93 57.35 1s6u s PHE 66 Cb 0.00 -3.82 -0.08 0.00 -0.57 0.00 0.00 43.02 38.55 1s6u s PHE 66 CO 0.00 -0.96 1.50 -1.25 -0.10 0.00 0.00 175.22 174.41 1s6u s PRO 67 N 3.64 4.26 -0.07 0.24 0.04 -1.26 -3.97 135.00 137.88 1s6u s PRO 67 Ca 0.38 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.65 1s6u s PRO 67 Cb -0.11 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 1s6u s PRO 67 CO 0.23 -0.57 -0.23 0.00 0.04 0.00 0.00 177.00 176.47 1s6u s ALA 68 N 1.72 2.00 -0.99 8.56 0.00 -1.26 -3.23 121.76 128.57 1s6u s ALA 68 Ca 0.68 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 1s6u s ALA 68 Cb -0.38 -0.69 0.27 0.00 0.00 0.00 0.00 23.12 22.32 1s6u s ALA 68 CO 0.30 0.33 1.08 1.19 0.00 0.00 0.00 175.76 178.66 1s6u n PHE 69 N 3.24 3.89 -1.92 0.00 3.72 0.52 -4.91 117.46 122.01 1s6u n PHE 69 Ca -0.18 -3.62 -0.43 0.00 -0.05 0.00 0.00 57.45 53.17 1s6u n PHE 69 Cb 0.52 -1.27 -0.03 0.00 -0.94 0.00 0.00 39.48 37.77 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 -1.90 3.38 -0.41 -4.37 0.11 -1.26 -2.42 120.40 113.53 1s6u s VAL 70 Ca 0.31 0.38 0.09 0.00 -2.93 0.00 0.00 61.98 59.83 1s6u s VAL 70 Cb -0.02 -3.53 0.37 0.00 -1.53 0.00 0.00 36.38 31.67 1s6u s VAL 70 CO -0.03 -0.35 1.21 2.29 -3.33 0.00 0.00 175.10 174.89 1s6u n LYS 71 N 8.52 1.12 -2.85 1.54 2.85 -1.03 -4.99 118.16 123.32 1s6u n LYS 71 Ca 0.24 -2.08 -0.04 0.00 -1.05 0.00 0.00 58.31 55.38 1s6u n LYS 71 Cb 0.47 -0.57 0.00 0.00 -0.65 0.00 0.00 35.03 34.28 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 -0.24 1.03 -1.48 -1.58 2.36 -1.23 -4.94 119.74 113.66 1s6u s LYS 72 Ca 0.23 -1.00 -0.09 0.00 -2.55 0.00 0.00 55.97 52.56 1s6u s LYS 72 Cb 0.37 -0.09 -0.09 0.00 -1.05 0.00 0.00 37.83 36.97 1s6u s LYS 72 CO -0.06 -1.31 2.84 1.51 1.55 0.00 0.00 175.35 179.87 1s6u n ILE 73 N 3.15 3.99 -2.26 5.43 0.13 -1.26 -2.79 119.36 125.76 1s6u n ILE 73 Ca 0.17 -2.37 -0.28 0.00 -1.10 0.00 0.00 62.75 59.17 1s6u n ILE 73 Cb 0.56 -2.53 0.03 0.00 -0.84 0.00 0.00 39.64 36.86 1s6u n ILE 73 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1s6u s GLU 74 N 2.35 3.09 0.00 9.51 2.02 -0.56 -4.90 118.70 130.21 1s6u s GLU 74 Ca 0.65 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.87 1s6u s GLU 74 Cb 0.17 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1s6u s GLU 74 CO -0.05 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1s6u n GLY 75 N -2.65 -0.77 0.94 -1.39 0.00 -1.26 -0.12 105.19 99.94 1s6u n GLY 75 Ca 0.05 0.72 0.12 0.00 0.00 0.00 0.00 46.02 46.90 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19