#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 1.88 0.01 1.61 1.03 -1.26 -4.55 118.70 117.42 1s6u s GLU 2 Ca 0.00 1.40 0.01 0.00 0.03 0.00 0.00 54.97 56.41 1s6u s GLU 2 Cb 0.00 -1.84 -0.01 0.00 -0.80 0.00 0.00 34.13 31.48 1s6u s GLU 2 CO 0.00 -1.96 -0.05 0.08 -1.33 0.00 0.00 175.26 172.00 1s6u s VAL 3 N -2.64 0.36 0.09 1.83 1.01 0.40 -4.80 120.40 116.65 1s6u s VAL 3 Ca 0.65 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 1s6u s VAL 3 Cb -0.21 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.74 1s6u s VAL 3 CO 0.54 -0.10 0.47 -0.69 0.00 0.00 0.00 175.10 175.32 1s6u s VAL 4 N -0.59 4.96 -0.14 2.92 1.01 -0.63 -0.85 120.40 127.08 1s6u s VAL 4 Ca -0.03 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1s6u s VAL 4 Cb -0.05 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1s6u s VAL 4 CO -0.00 0.33 -0.07 -0.22 0.00 0.00 0.00 175.10 175.15 1s6u s LEU 5 N -1.75 1.43 -0.24 3.92 1.98 0.97 -2.98 118.68 122.02 1s6u s LEU 5 Ca 0.33 -0.50 -0.10 0.00 -2.89 0.00 0.00 54.13 50.97 1s6u s LEU 5 Cb -0.15 -0.89 -0.05 0.00 0.66 0.00 0.00 46.19 45.76 1s6u s LEU 5 CO 0.18 -0.15 0.15 -0.75 -1.89 0.00 0.00 176.35 173.89 1s6u s LYS 6 N 1.66 4.06 -0.17 1.98 2.47 -1.24 -0.84 119.74 127.66 1s6u s LYS 6 Ca 0.03 -0.28 0.01 0.00 -1.56 0.00 0.00 55.97 54.17 1s6u s LYS 6 Cb -0.14 -3.52 0.02 0.00 -1.46 0.00 0.00 37.83 32.73 1s6u s LYS 6 CO -0.08 0.07 -0.19 -1.64 0.16 0.00 0.00 175.35 173.67 1s6u s MET 7 N 1.03 2.82 -0.10 4.03 -1.94 0.25 -2.25 119.30 123.15 1s6u s MET 7 Ca 0.07 -0.77 -0.30 0.00 -1.71 0.00 0.00 55.69 52.99 1s6u s MET 7 Cb -0.13 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 1s6u s MET 7 CO 0.04 -0.22 1.33 0.15 -0.01 0.00 0.00 175.02 176.31 1s6u s LYS 8 N 1.33 4.26 0.09 2.03 3.01 -0.86 -0.24 119.74 129.36 1s6u s LYS 8 Ca 0.05 1.79 0.05 0.00 -1.01 0.00 0.00 55.97 56.85 1s6u s LYS 8 Cb -0.13 -3.72 -0.04 0.00 -1.01 0.00 0.00 37.83 32.93 1s6u s LYS 8 CO -0.12 -0.65 -0.04 0.14 0.51 0.00 0.00 175.35 175.19 1s6u s VAL 9 N 3.12 3.79 0.08 3.17 -7.23 -0.08 -0.08 120.40 123.17 1s6u s VAL 9 Ca 0.59 -1.07 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 1s6u s VAL 9 Cb -0.25 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1s6u s VAL 9 CO 0.20 0.13 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.37 1s6u s GLU 10 N -2.23 2.04 0.00 4.82 0.41 -1.15 -4.52 118.70 118.07 1s6u s GLU 10 Ca 0.24 -1.03 0.00 0.00 -0.41 0.00 0.00 54.97 53.76 1s6u s GLU 10 Cb -0.11 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 1s6u s GLU 10 CO 0.16 0.52 0.00 0.41 -0.49 0.00 0.00 175.26 175.86 1s6u n GLY 11 N 1.06 2.34 3.39 -1.39 0.00 -1.26 -4.61 105.19 104.72 1s6u n GLY 11 Ca -0.15 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 1.41 -3.05 1.61 2.81 -1.26 -4.65 117.12 113.99 1s6u n MET 12 Ca 0.00 -2.12 -0.16 0.00 -1.81 0.00 0.00 57.70 53.61 1s6u n MET 12 Cb 0.00 -3.37 -0.01 0.00 -0.71 0.00 0.00 33.22 29.14 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 7.14 0.03 -1.85 2.03 -1.04 -1.26 -4.74 114.28 114.58 1s6u n THR 13 Ca 0.47 -4.00 0.00 0.00 -2.04 0.00 0.00 64.05 58.48 1s6u n THR 13 Cb 0.44 0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.00 0.00 0.12 0.00 8.25 -1.26 -4.67 115.22 117.67 1s6u n HIS 15 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1s6u n HIS 15 Cb 0.56 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1s6u n HIS 15 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1s6u h SER 16 N 0.00 -0.21 0.81 0.41 0.87 -1.96 -2.17 113.55 111.30 1s6u h SER 16 Ca 0.00 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1s6u h SER 16 Cb 0.00 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1s6u h SER 16 CO 0.00 -0.15 -0.39 0.00 -0.53 0.00 0.00 176.83 175.76 1s6u h THR 18 N -1.26 0.04 -0.37 0.00 1.03 -1.85 0.11 112.91 110.60 1s6u h THR 18 Ca -0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.21 1s6u h THR 18 Cb 0.84 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.94 1s6u h THR 18 CO 0.18 0.00 -0.06 -1.28 -0.01 0.00 0.00 175.52 174.35 1s6u h SER 19 N -0.21 0.69 -0.46 0.00 0.87 -1.36 0.95 113.55 114.03 1s6u h SER 19 Ca 0.16 -0.35 0.06 0.00 -1.23 0.00 0.00 61.79 60.43 1s6u h SER 19 Cb 0.54 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1s6u h SER 19 CO -0.74 0.87 0.15 0.74 -0.53 0.00 0.00 176.83 177.32 1s6u h THR 20 N 0.49 0.83 -0.12 2.23 2.02 -0.25 0.10 112.91 118.21 1s6u h THR 20 Ca 0.10 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1s6u h THR 20 Cb 0.56 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1s6u h THR 20 CO 0.03 0.06 0.03 0.40 0.37 0.00 0.00 175.52 176.40 1s6u h ILE 21 N 0.31 1.20 -0.56 3.11 2.04 -0.42 0.13 117.51 123.31 1s6u h ILE 21 Ca 0.22 -0.63 0.11 0.00 1.00 0.00 0.00 64.86 65.56 1s6u h ILE 21 Cb 0.24 1.40 -0.11 0.00 -0.74 0.00 0.00 36.82 37.61 1s6u h ILE 21 CO -0.24 0.18 -0.21 -0.33 0.00 0.00 0.00 178.15 177.56 1s6u h GLU 22 N -0.02 -0.07 0.73 2.37 5.08 -0.37 0.26 114.58 122.56 1s6u h GLU 22 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1s6u h GLU 22 Cb 0.26 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1s6u h GLU 22 CO 0.00 -0.04 -0.44 0.78 -1.00 0.00 0.00 179.01 178.30 1s6u h GLY 23 N -0.07 -1.21 0.93 -3.84 0.00 -0.60 0.15 103.07 98.44 1s6u h GLY 23 Ca 0.26 0.49 -0.05 0.00 0.00 0.00 0.00 47.33 48.04 1s6u h GLY 23 CO -0.61 -0.42 -0.45 1.70 0.00 0.00 0.00 176.54 176.76 1s6u h LYS 24 N -1.10 -1.20 0.00 4.80 3.11 -0.10 -2.82 116.57 119.26 1s6u h LYS 24 Ca -0.09 0.08 -0.05 0.00 -2.81 0.00 0.00 60.65 57.77 1s6u h LYS 24 Cb 0.88 0.27 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 1s6u h LYS 24 CO 0.10 -0.80 -0.25 0.82 -2.81 0.00 0.00 179.45 176.51 1s6u h ILE 25 N -1.31 0.97 -1.14 2.00 1.08 -0.64 -1.26 117.51 117.22 1s6u h ILE 25 Ca -0.13 -0.93 0.35 0.00 -0.39 0.00 0.00 64.86 63.76 1s6u h ILE 25 Cb 0.96 1.53 -0.12 0.00 -3.07 0.00 0.00 36.82 36.12 1s6u h ILE 25 CO 0.21 0.25 0.71 1.23 -0.69 0.00 0.00 178.15 179.85 1s6u h GLY 26 N 1.02 1.52 -0.57 5.37 0.00 -0.43 0.63 103.07 110.61 1s6u h GLY 26 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1s6u h GLY 26 CO 0.03 -0.35 0.00 1.17 0.00 0.00 0.00 176.54 177.39 1s6u n LYS 27 N -4.79 1.60 -1.76 4.80 4.81 -0.47 -4.91 118.16 117.45 1s6u n LYS 27 Ca 0.32 -0.91 -0.34 0.00 -0.87 0.00 0.00 58.31 56.51 1s6u n LYS 27 Cb 1.13 -1.38 0.06 0.00 0.02 0.00 0.00 35.03 34.85 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 -1.59 3.46 0.13 3.14 1.43 0.21 -5.02 118.68 120.45 1s6u s LEU 28 Ca 0.32 2.22 -0.21 0.00 -1.03 0.00 0.00 54.13 55.43 1s6u s LEU 28 Cb 0.17 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.74 1s6u s LEU 28 CO 0.26 -1.79 0.66 -1.58 0.23 0.00 0.00 176.35 174.12 1s6u s GLN 29 N -3.78 4.31 0.00 1.70 0.74 -1.26 -4.19 119.66 117.18 1s6u s GLN 29 Ca 0.72 0.88 0.00 0.00 0.05 0.00 0.00 55.36 57.01 1s6u s GLN 29 Cb -0.26 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.69 1s6u s GLN 29 CO 0.39 0.57 0.00 0.41 -0.55 0.00 0.00 175.29 176.11 1s6u n GLY 30 N 1.44 0.89 3.79 2.59 0.00 -1.26 -4.63 105.19 108.01 1s6u n GLY 30 Ca -0.07 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 4.68 -0.14 1.61 1.01 -1.26 -1.02 120.40 123.28 1s6u s VAL 31 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1s6u s VAL 31 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1s6u s VAL 31 CO 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 175.10 175.19 1s6u n GLN 32 N 0.86 0.31 -4.01 2.72 1.13 0.32 -4.86 117.38 113.86 1s6u n GLN 32 Ca -0.11 0.11 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1s6u n GLN 32 Cb 0.52 -1.10 -0.06 0.00 0.11 0.00 0.00 30.24 29.71 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 -2.26 1.49 -0.12 -1.09 6.06 0.01 -5.02 118.95 118.02 1s6u s ARG 33 Ca -0.19 -1.28 -0.08 0.00 -2.50 0.00 0.00 55.73 51.68 1s6u s ARG 33 Cb 0.07 0.45 0.04 0.00 0.06 0.00 0.00 34.95 35.56 1s6u s ARG 33 CO 0.27 -0.60 0.29 -1.50 -2.50 0.00 0.00 175.30 171.26 1s6u s ILE 34 N -4.03 -0.02 0.05 4.11 2.07 -1.26 -0.83 121.20 121.29 1s6u s ILE 34 Ca 0.24 0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.57 1s6u s ILE 34 Cb 0.00 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1s6u s ILE 34 CO 0.09 0.03 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.56 1s6u s LYS 35 N 0.86 0.57 -0.20 3.50 -0.14 0.11 -4.96 119.74 119.48 1s6u s LYS 35 Ca -0.06 -0.96 -0.04 0.00 -1.36 0.00 0.00 55.97 53.56 1s6u s LYS 35 Cb -0.07 -0.07 0.09 0.00 -1.68 0.00 0.00 37.83 36.11 1s6u s LYS 35 CO -0.06 -0.02 0.22 0.08 -0.76 0.00 0.00 175.35 174.81 1s6u s VAL 36 N -2.46 -0.33 -1.34 3.17 1.01 -1.26 0.13 120.40 119.32 1s6u s VAL 36 Ca -0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1s6u s VAL 36 Cb -0.03 -0.67 0.08 0.00 0.00 0.00 0.00 36.38 35.76 1s6u s VAL 36 CO -0.03 -0.20 1.88 -1.20 0.00 0.00 0.00 175.10 175.55 1s6u n SER 37 N 5.32 4.63 -0.32 3.32 7.64 0.18 -4.79 113.62 129.60 1s6u n SER 37 Ca -0.05 -2.92 0.19 0.00 1.01 0.00 0.00 58.87 57.10 1s6u n SER 37 Cb 0.50 -1.67 0.39 0.00 -1.01 0.00 0.00 64.21 62.41 1s6u n SER 37 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1s6u h LEU 38 N 10.95 0.34 -0.54 -3.43 6.46 -1.90 0.11 115.31 127.30 1s6u h LEU 38 Ca 0.47 0.19 0.08 0.00 -0.12 0.00 0.00 57.88 58.50 1s6u h LEU 38 Cb 0.77 0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 40.77 1s6u h LEU 38 CO 1.59 -0.12 -0.44 0.44 -0.62 0.00 0.00 178.44 179.30 1s6u h ASP 39 N 0.31 -1.50 -0.55 1.25 5.19 -1.92 0.15 116.42 119.36 1s6u h ASP 39 Ca 0.65 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 57.31 1s6u h ASP 39 Cb 1.41 0.67 0.00 0.00 0.18 0.00 0.00 39.33 41.59 1s6u h ASP 39 CO -0.61 -0.34 0.00 -3.20 -3.12 0.00 0.00 179.24 171.97 1s6u n ASN 40 N -5.40 3.79 -3.65 6.45 4.05 -0.96 -4.95 115.26 114.59 1s6u n ASN 40 Ca 0.01 -2.28 -0.30 0.00 0.45 0.00 0.00 54.58 52.47 1s6u n ASN 40 Cb 0.35 -0.49 0.04 0.00 1.23 0.00 0.00 39.78 40.91 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 0.97 -1.25 -3.76 1.20 6.02 0.53 -4.89 117.38 116.19 1s6u n GLN 41 Ca 0.21 0.52 -0.13 0.00 -0.01 0.00 0.00 57.00 57.58 1s6u n GLN 41 Cb 0.69 -4.16 -0.14 0.00 1.02 0.00 0.00 30.24 27.65 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 -5.78 0.12 -0.13 -1.09 2.12 -0.04 -0.90 118.70 112.99 1s6u s GLU 42 Ca 0.44 0.34 -0.10 0.00 0.36 0.00 0.00 54.97 56.01 1s6u s GLU 42 Cb -0.16 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.08 1s6u s GLU 42 CO 0.85 -0.13 0.21 0.00 -0.54 0.00 0.00 175.26 175.66 1s6u s ALA 43 N 0.91 3.74 -0.79 6.30 0.00 0.66 0.50 121.76 133.08 1s6u s ALA 43 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1s6u s ALA 43 Cb -0.09 -2.18 0.19 0.00 0.00 0.00 0.00 23.12 21.05 1s6u s ALA 43 CO -0.05 0.36 0.63 0.99 0.00 0.00 0.00 175.76 177.69 1s6u s THR 44 N -0.33 3.76 -0.13 0.00 2.01 0.12 -0.59 115.64 120.48 1s6u s THR 44 Ca 0.15 -3.87 -0.21 0.00 0.31 0.00 0.00 61.69 58.07 1s6u s THR 44 Cb -0.13 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1s6u s THR 44 CO 0.04 -1.03 0.61 -0.63 -0.69 0.00 0.00 174.62 172.92 1s6u s ILE 45 N -1.19 5.08 -0.27 1.82 -1.09 -0.02 0.09 121.20 125.61 1s6u s ILE 45 Ca 0.25 1.21 0.03 0.00 -2.23 0.00 0.00 60.65 59.90 1s6u s ILE 45 Cb -0.09 -3.94 0.07 0.00 -1.58 0.00 0.00 42.46 36.92 1s6u s ILE 45 CO -0.12 0.23 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.07 1s6u s VAL 46 N 1.11 2.05 0.30 2.92 1.01 -0.01 -0.02 120.40 127.77 1s6u s VAL 46 Ca 0.31 -1.71 0.03 0.00 0.00 0.00 0.00 61.98 60.60 1s6u s VAL 46 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1s6u s VAL 46 CO 0.13 -0.18 0.14 -0.72 0.00 0.00 0.00 175.10 174.47 1s6u s TYR 47 N 1.12 1.62 -0.39 5.22 1.13 -0.03 -0.52 117.35 125.50 1s6u s TYR 47 Ca -0.04 -1.30 -0.09 0.00 -1.41 0.00 0.00 57.07 54.24 1s6u s TYR 47 Cb -0.20 -0.92 0.06 0.00 -1.10 0.00 0.00 41.96 39.81 1s6u s TYR 47 CO -0.06 -0.43 0.22 -1.14 -2.51 0.00 0.00 175.55 171.62 1s6u s GLN 48 N -3.86 2.65 -1.03 -3.49 0.74 -0.19 -0.45 119.66 114.02 1s6u s GLN 48 Ca 0.35 -1.32 -0.22 0.00 0.05 0.00 0.00 55.36 54.21 1s6u s GLN 48 Cb 0.06 -3.71 -0.11 0.00 1.10 0.00 0.00 33.01 30.35 1s6u s GLN 48 CO 0.16 -0.84 1.92 -0.35 -0.55 0.00 0.00 175.29 175.63 1s6u n PRO 49 N 4.91 1.61 0.00 1.67 -0.04 -1.26 -1.64 135.00 140.25 1s6u n PRO 49 Ca -0.11 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1s6u n PRO 49 Cb 0.44 -3.42 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 1.58 -0.04 0.00 0.00 175.50 177.04 1s6u n HIS 50 N 11.64 -0.05 0.07 0.54 -0.00 -1.26 -4.99 115.22 121.17 1s6u n HIS 50 Ca 0.47 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.43 1s6u n HIS 50 Cb 0.44 0.01 -0.15 0.00 -0.12 0.00 0.00 29.99 30.17 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 0.57 -8.47 0.27 3.38 -1.62 -3.48 115.31 105.97 1s6u h LEU 51 Ca 0.00 -0.92 -0.18 0.00 0.09 0.00 0.00 57.88 56.87 1s6u h LEU 51 Cb 0.00 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.43 1s6u h LEU 51 CO 0.00 1.61 -0.49 -0.51 0.09 0.00 0.00 178.44 179.14 1s6u s ILE 52 N -2.51 0.01 0.21 1.22 1.10 -1.23 -4.82 121.20 115.17 1s6u s ILE 52 Ca -0.15 -1.82 0.11 0.00 -0.51 0.00 0.00 60.65 58.29 1s6u s ILE 52 Cb 0.03 -2.36 -0.05 0.00 0.15 0.00 0.00 42.46 40.24 1s6u s ILE 52 CO 0.85 -0.05 -0.23 -0.94 -2.11 0.00 0.00 174.94 172.46 1s6u s SER 53 N -3.11 3.43 0.27 4.50 1.04 -1.26 -4.49 113.70 114.09 1s6u s SER 53 Ca 0.33 -0.90 -0.06 0.00 0.48 0.00 0.00 55.95 55.79 1s6u s SER 53 Cb 0.05 -0.26 0.48 0.00 0.10 0.00 0.00 66.02 66.40 1s6u s SER 53 CO 0.10 0.10 1.49 0.52 0.98 0.00 0.00 173.24 176.42 1s6u n VAL 54 N 0.07 -0.40 -0.08 5.02 0.31 -1.26 -1.81 118.33 120.18 1s6u n VAL 54 Ca -0.11 2.16 -0.10 0.00 -0.01 0.00 0.00 64.34 66.29 1s6u n VAL 54 Cb 0.57 -3.02 -0.03 0.00 -0.91 0.00 0.00 33.84 30.45 1s6u n VAL 54 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s6u h GLU 55 N 0.00 0.40 -0.24 5.55 4.22 -1.98 0.12 114.58 122.65 1s6u h GLU 55 Ca 0.48 -0.06 0.04 0.00 0.08 0.00 0.00 59.36 59.89 1s6u h GLU 55 Cb 0.77 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1s6u h GLU 55 CO -0.97 0.40 -0.01 0.93 -2.18 0.00 0.00 179.01 177.19 1s6u h GLU 56 N 0.30 0.06 0.23 1.92 4.39 -1.79 0.42 114.58 120.11 1s6u h GLU 56 Ca 0.09 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1s6u h GLU 56 Cb 0.15 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1s6u h GLU 56 CO -0.01 0.04 -0.51 0.52 -1.16 0.00 0.00 179.01 177.89 1s6u h MET 57 N 0.07 -0.79 0.69 2.33 2.86 -0.80 0.15 114.93 119.43 1s6u h MET 57 Ca 0.12 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1s6u h MET 57 Cb 0.15 0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.00 1s6u h MET 57 CO -0.20 -0.52 -0.34 -0.22 1.06 0.00 0.00 176.91 176.68 1s6u h LYS 58 N -0.82 -0.91 -0.63 1.72 3.11 -0.53 0.15 116.57 118.68 1s6u h LYS 58 Ca -0.02 0.06 0.12 0.00 -2.81 0.00 0.00 60.65 58.00 1s6u h LYS 58 Cb 0.78 0.21 -0.12 0.00 -1.00 0.00 0.00 32.23 32.10 1s6u h LYS 58 CO -0.22 -0.60 -0.21 -0.22 -2.81 0.00 0.00 179.45 175.39 1s6u h LYS 59 N -0.94 -0.05 -0.52 1.90 3.64 -0.09 0.75 116.57 121.26 1s6u h LYS 59 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1s6u h LYS 59 Cb 0.73 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1s6u h LYS 59 CO 0.15 -0.03 0.33 1.96 -2.27 0.00 0.00 179.45 179.58 1s6u h GLN 60 N -0.05 0.70 0.25 1.90 1.08 -0.52 0.10 115.11 118.57 1s6u h GLN 60 Ca 0.29 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1s6u h GLN 60 Cb 0.50 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1s6u h GLN 60 CO -0.67 0.49 -0.12 0.82 -0.95 0.00 0.00 178.83 178.40 1s6u h ILE 61 N 0.70 0.00 -1.00 2.54 2.04 0.12 -3.17 117.51 118.75 1s6u h ILE 61 Ca 0.19 -0.24 0.33 0.00 1.00 0.00 0.00 64.86 66.14 1s6u h ILE 61 Cb -0.04 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.89 1s6u h ILE 61 CO -0.04 0.00 0.55 -0.08 0.00 0.00 0.00 178.15 178.58 1s6u h GLU 62 N -0.57 0.28 -0.44 2.37 4.81 0.30 0.96 114.58 122.29 1s6u h GLU 62 Ca -0.03 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1s6u h GLU 62 Cb 0.26 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1s6u h GLU 62 CO 0.06 0.19 0.31 0.00 -0.73 0.00 0.00 179.01 178.84 1s6u h ALA 63 N 1.86 2.38 -0.90 2.92 0.00 -0.78 0.21 119.26 124.96 1s6u h ALA 63 Ca 0.74 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.79 1s6u h ALA 63 Cb 1.70 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 1s6u h ALA 63 CO -0.62 -0.51 0.49 0.52 0.00 0.00 0.00 179.25 179.13 1s6u h MET 64 N 0.02 0.66 0.00 0.00 2.86 -0.77 -3.46 114.93 114.24 1s6u h MET 64 Ca 0.21 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1s6u h MET 64 Cb 0.80 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1s6u h MET 64 CO -0.01 0.44 0.00 0.41 1.06 0.00 0.00 176.91 178.81 1s6u n GLY 65 N -1.33 0.85 3.63 8.32 0.00 0.74 -5.12 105.19 112.27 1s6u n GLY 65 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 3.21 0.30 1.61 0.08 -1.22 -5.02 117.98 116.94 1s6u s PHE 66 Ca 0.00 1.03 -0.29 0.00 0.12 0.00 0.00 56.93 57.79 1s6u s PHE 66 Cb 0.00 -3.35 -0.10 0.00 -0.57 0.00 0.00 43.02 39.00 1s6u s PHE 66 CO 0.00 -0.60 1.41 -1.25 -0.10 0.00 0.00 175.22 174.68 1s6u s PRO 67 N 3.18 4.26 -0.01 0.24 0.04 -1.26 -4.09 135.00 137.36 1s6u s PRO 67 Ca 0.38 2.33 0.03 0.00 0.04 0.00 0.00 61.00 63.78 1s6u s PRO 67 Cb -0.14 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1s6u s PRO 67 CO 0.12 -0.38 -0.09 0.00 0.04 0.00 0.00 177.00 176.69 1s6u s ALA 68 N -0.53 0.79 -0.85 8.56 0.00 -1.26 -2.92 121.76 125.55 1s6u s ALA 68 Ca 0.55 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 1s6u s ALA 68 Cb -0.42 -0.22 0.22 0.00 0.00 0.00 0.00 23.12 22.70 1s6u s ALA 68 CO 0.50 0.18 0.77 -0.06 0.00 0.00 0.00 175.76 177.14 1s6u s PHE 69 N -0.15 3.81 -0.30 0.00 0.08 0.88 -4.90 117.98 117.40 1s6u s PHE 69 Ca 0.02 -2.51 -0.29 0.00 0.12 0.00 0.00 56.93 54.28 1s6u s PHE 69 Cb -0.04 -3.57 -0.07 0.00 -0.57 0.00 0.00 43.02 38.77 1s6u s PHE 69 CO -0.00 -0.90 2.27 0.28 -0.10 0.00 0.00 175.22 176.77 1s6u n VAL 70 N 3.27 0.23 -2.74 -0.44 0.31 -1.26 -2.03 118.33 115.68 1s6u n VAL 70 Ca 0.16 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 1s6u n VAL 70 Cb 0.41 -2.47 0.09 0.00 -0.91 0.00 0.00 33.84 30.97 1s6u n VAL 70 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1s6u n LYS 71 N 8.74 1.07 -3.60 5.55 2.85 -0.95 -5.01 118.16 126.81 1s6u n LYS 71 Ca 0.33 -1.97 -0.15 0.00 -1.05 0.00 0.00 58.31 55.48 1s6u n LYS 71 Cb 0.43 -0.76 -0.07 0.00 -0.65 0.00 0.00 35.03 33.98 1s6u n LYS 71 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1s6u s LYS 72 N 0.11 0.89 -0.47 -1.58 -0.14 -1.23 -4.90 119.74 112.41 1s6u s LYS 72 Ca 0.23 0.73 0.08 0.00 -1.36 0.00 0.00 55.97 55.65 1s6u s LYS 72 Cb 0.33 0.43 0.26 0.00 -1.68 0.00 0.00 37.83 37.16 1s6u s LYS 72 CO -0.06 -0.17 0.61 -0.89 -0.76 0.00 0.00 175.35 174.08 1s6u n ILE 73 N 2.13 0.31 -2.62 2.17 -0.00 -1.26 -3.64 119.36 116.45 1s6u n ILE 73 Ca -0.16 -4.43 -0.42 0.00 -0.00 0.00 0.00 62.75 57.75 1s6u n ILE 73 Cb 0.56 -1.90 -0.03 0.00 -0.00 0.00 0.00 39.64 38.27 1s6u n ILE 73 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1s6u s GLU 74 N -1.68 3.23 -0.02 0.38 0.41 -1.16 -4.92 118.70 114.94 1s6u s GLU 74 Ca 0.37 -0.26 -0.16 0.00 -0.41 0.00 0.00 54.97 54.50 1s6u s GLU 74 Cb 0.18 -4.16 -0.09 0.00 -1.78 0.00 0.00 34.13 28.28 1s6u s GLU 74 CO -0.08 -1.99 0.74 0.78 -0.49 0.00 0.00 175.26 174.21 1s6u h GLY 75 N 12.49 -0.62 0.00 -1.39 0.00 -1.92 -1.68 103.07 109.96 1s6u h GLY 75 Ca -0.28 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1s6u h GLY 75 CO 1.24 -0.22 0.00 0.54 0.00 0.00 0.00 176.54 178.10