#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6o s GLU 2 N 0.00 2.17 0.14 1.61 2.02 -1.26 -5.06 118.70 118.31 1s6o s GLU 2 Ca 0.00 -2.09 -0.02 0.00 0.02 0.00 0.00 54.97 52.88 1s6o s GLU 2 Cb 0.00 -1.80 -0.05 0.00 0.10 0.00 0.00 34.13 32.38 1s6o s GLU 2 CO 0.00 -0.26 0.33 0.08 0.02 0.00 0.00 175.26 175.44 1s6o s VAL 3 N -2.73 5.24 -0.21 2.63 1.01 0.06 -4.76 120.40 121.65 1s6o s VAL 3 Ca 0.28 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1s6o s VAL 3 Cb 0.03 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1s6o s VAL 3 CO 0.16 -0.00 0.27 -0.69 0.00 0.00 0.00 175.10 174.83 1s6o s VAL 4 N -1.69 5.30 0.13 2.92 1.01 -1.26 -0.82 120.40 125.99 1s6o s VAL 4 Ca 0.38 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1s6o s VAL 4 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1s6o s VAL 4 CO 0.27 0.33 0.19 -0.22 0.00 0.00 0.00 175.10 175.67 1s6o s LEU 5 N 0.96 4.07 -0.10 3.92 0.20 0.29 -4.73 118.68 123.30 1s6o s LEU 5 Ca 0.14 0.05 0.02 0.00 0.69 0.00 0.00 54.13 55.03 1s6o s LEU 5 Cb -0.14 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 42.96 1s6o s LEU 5 CO 0.05 0.09 -0.16 -0.75 -0.29 0.00 0.00 176.35 175.29 1s6o s LYS 6 N -2.97 2.23 0.29 1.98 2.20 -1.24 -1.53 119.74 120.70 1s6o s LYS 6 Ca 0.33 -0.57 0.10 0.00 -0.36 0.00 0.00 55.97 55.47 1s6o s LYS 6 Cb -0.11 -1.87 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 1s6o s LYS 6 CO 0.26 -0.03 -0.15 0.00 -0.36 0.00 0.00 175.35 175.06 1s6o s MET 7 N 0.90 1.68 -0.15 4.03 0.23 0.21 -0.90 119.30 125.29 1s6o s MET 7 Ca -0.08 -1.80 -0.10 0.00 -1.03 0.00 0.00 55.69 52.67 1s6o s MET 7 Cb -0.15 -1.64 -0.05 0.00 -1.53 0.00 0.00 34.83 31.46 1s6o s MET 7 CO -0.00 0.24 0.18 0.15 -2.03 0.00 0.00 175.02 173.55 1s6o s LYS 8 N -3.57 3.93 -0.73 3.16 -0.14 0.53 -0.89 119.74 122.03 1s6o s LYS 8 Ca 0.30 -0.10 0.04 0.00 -1.36 0.00 0.00 55.97 54.85 1s6o s LYS 8 Cb -0.02 -3.33 0.25 0.00 -1.68 0.00 0.00 37.83 33.06 1s6o s LYS 8 CO 0.14 0.48 0.86 0.28 -0.76 0.00 0.00 175.35 176.35 1s6o n VAL 9 N 2.90 2.86 -1.72 3.17 0.31 0.35 -1.03 118.33 125.17 1s6o n VAL 9 Ca -0.17 -5.32 -0.29 0.00 -0.01 0.00 0.00 64.34 58.55 1s6o n VAL 9 Cb 0.53 -2.11 0.16 0.00 -0.91 0.00 0.00 33.84 31.51 1s6o n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1s6o s GLU 10 N -2.44 0.83 0.00 5.55 0.41 -1.19 -4.45 118.70 117.41 1s6o s GLU 10 Ca 0.37 -0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 1s6o s GLU 10 Cb 0.11 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.63 1s6o s GLU 10 CO -0.00 -2.34 0.00 0.41 -0.49 0.00 0.00 175.26 172.83 1s6o n GLY 11 N -2.91 1.39 0.39 -1.39 0.00 -1.26 -4.21 105.19 97.20 1s6o n GLY 11 Ca 0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1s6o n GLY 11 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1s6o h MET 12 N 0.00 -0.00 0.00 1.61 2.86 -1.88 -3.47 114.93 114.05 1s6o h MET 12 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1s6o h MET 12 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1s6o h MET 12 CO 0.00 -0.00 -0.02 -2.37 1.06 0.00 0.00 176.91 175.58 1s6o n THR 13 N -5.41 0.00 -1.12 2.22 5.66 -1.26 -5.03 114.28 109.33 1s6o n THR 13 Ca 0.08 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.16 1s6o n THR 13 Cb 0.36 -0.02 -0.05 0.00 -1.55 0.00 0.00 70.33 69.08 1s6o n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s6o n HIS 15 N -3.22 0.00 -3.15 0.00 -0.00 -1.26 -4.44 115.22 103.15 1s6o n HIS 15 Ca -0.05 -0.96 0.05 0.00 0.46 0.00 0.00 57.72 57.22 1s6o n HIS 15 Cb 0.46 -0.48 -0.01 0.00 -0.12 0.00 0.00 29.99 29.83 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s6o s SER 16 N 1.95 -0.65 0.00 0.26 0.15 -1.26 -5.06 113.70 109.09 1s6o s SER 16 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1s6o s SER 16 Cb 0.00 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 1s6o s SER 16 CO 0.00 -0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.32 1s6o n THR 18 N 0.00 0.00 -0.31 0.00 -2.24 -1.26 -4.77 114.28 105.70 1s6o n THR 18 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1s6o n THR 18 Cb 0.00 -0.39 0.27 0.00 -2.10 0.00 0.00 70.33 68.11 1s6o n THR 18 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1s6o h SER 19 N 0.00 0.47 -0.40 3.42 0.87 -1.97 0.53 113.55 116.47 1s6o h SER 19 Ca 0.00 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.74 1s6o h SER 19 Cb 0.00 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 61.93 1s6o h SER 19 CO 0.00 0.13 -0.49 0.74 -0.53 0.00 0.00 176.83 176.68 1s6o h THR 20 N 0.54 0.06 -0.21 2.23 2.02 -1.98 0.20 112.91 115.77 1s6o h THR 20 Ca 0.52 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.72 1s6o h THR 20 Cb 0.86 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1s6o h THR 20 CO -0.43 0.00 0.08 0.40 0.37 0.00 0.00 175.52 175.94 1s6o h ILE 21 N -0.37 0.96 0.28 3.11 2.04 -0.40 0.16 117.51 123.30 1s6o h ILE 21 Ca 0.11 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1s6o h ILE 21 Cb 0.60 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1s6o h ILE 21 CO -0.58 0.03 -0.27 -0.33 0.00 0.00 0.00 178.15 177.00 1s6o h GLU 22 N 0.18 -0.53 -0.58 2.37 5.08 -0.03 0.14 114.58 121.22 1s6o h GLU 22 Ca 0.09 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1s6o h GLU 22 Cb 0.05 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 1s6o h GLU 22 CO -0.08 -0.35 -0.33 0.78 -1.00 0.00 0.00 179.01 178.02 1s6o h GLY 23 N -0.55 -0.12 0.90 -3.84 0.00 -0.67 0.30 103.07 99.09 1s6o h GLY 23 Ca -0.04 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1s6o h GLY 23 CO -0.03 -0.21 -0.24 1.70 0.00 0.00 0.00 176.54 177.76 1s6o h LYS 24 N -0.17 -0.60 -0.22 4.80 1.63 -0.73 -2.40 116.57 118.89 1s6o h LYS 24 Ca 0.23 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.09 1s6o h LYS 24 Cb 0.55 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1s6o h LYS 24 CO -0.67 -0.40 0.15 0.82 -3.45 0.00 0.00 179.45 175.90 1s6o h ILE 25 N -0.62 0.99 0.00 2.00 1.08 -0.37 -0.34 117.51 120.26 1s6o h ILE 25 Ca -0.05 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1s6o h ILE 25 Cb 0.51 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1s6o h ILE 25 CO 0.05 0.03 0.08 1.23 -0.69 0.00 0.00 178.15 178.85 1s6o h GLY 26 N 0.19 0.00 0.92 5.37 0.00 0.13 0.12 103.07 109.79 1s6o h GLY 26 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1s6o h GLY 26 CO -0.02 0.00 -0.62 0.28 0.00 0.00 0.00 176.54 176.18 1s6o n LYS 27 N -2.35 0.09 -2.05 4.80 4.76 -0.14 -4.95 118.16 118.32 1s6o n LYS 27 Ca -0.02 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1s6o n LYS 27 Cb 0.11 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s6o s LEU 28 N -3.33 4.38 -0.31 -0.35 2.01 0.41 -4.91 118.68 116.59 1s6o s LEU 28 Ca 0.09 2.55 -0.29 0.00 0.01 0.00 0.00 54.13 56.49 1s6o s LEU 28 Cb 0.16 -3.61 -0.07 0.00 0.01 0.00 0.00 46.19 42.69 1s6o s LEU 28 CO 0.73 -0.70 2.27 0.00 1.01 0.00 0.00 176.35 179.65 1s6o n GLN 29 N 3.13 1.59 0.00 1.70 10.64 -1.26 -2.11 117.38 131.08 1s6o n GLN 29 Ca 0.10 0.38 0.00 0.00 -1.83 0.00 0.00 57.00 55.64 1s6o n GLN 29 Cb 0.40 -3.11 0.00 0.00 -0.86 0.00 0.00 30.24 26.67 1s6o n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s6o n GLY 30 N 5.98 1.95 3.71 2.61 0.00 -1.26 -3.62 105.19 114.55 1s6o n GLY 30 Ca 0.34 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 1s6o n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6o s VAL 31 N -2.09 5.07 -0.16 1.61 1.01 -0.90 -3.64 120.40 121.31 1s6o s VAL 31 Ca 0.00 1.31 -0.23 0.00 0.00 0.00 0.00 61.98 63.06 1s6o s VAL 31 Cb 0.00 -3.98 -0.20 0.00 0.00 0.00 0.00 36.38 32.19 1s6o s VAL 31 CO 0.00 0.23 0.48 1.56 0.00 0.00 0.00 175.10 177.38 1s6o h GLN 32 N 6.89 0.00 -3.12 2.72 1.08 -0.99 -3.47 115.11 118.22 1s6o h GLN 32 Ca -0.39 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.84 1s6o h GLN 32 Cb 1.18 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.54 1s6o h GLN 32 CO 0.76 0.87 0.16 1.03 -0.95 0.00 0.00 178.83 180.70 1s6o s ARG 33 N -2.21 1.64 -0.03 1.46 0.52 -1.19 -5.00 118.95 114.13 1s6o s ARG 33 Ca -0.20 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.04 1s6o s ARG 33 Cb 0.00 0.58 0.01 0.00 0.52 0.00 0.00 34.95 36.06 1s6o s ARG 33 CO 0.58 -0.73 0.09 -1.50 0.02 0.00 0.00 175.30 173.75 1s6o s ILE 34 N -3.90 0.00 -0.19 1.52 2.07 -1.26 -0.75 121.20 118.68 1s6o s ILE 34 Ca 0.11 -0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1s6o s ILE 34 Cb -0.04 -0.14 0.05 0.00 0.13 0.00 0.00 42.46 42.46 1s6o s ILE 34 CO 0.03 -0.01 -0.03 -0.54 -1.91 0.00 0.00 174.94 172.48 1s6o s LYS 35 N 0.01 1.28 -0.40 3.50 3.01 0.26 -5.00 119.74 122.40 1s6o s LYS 35 Ca -0.00 -0.62 -0.12 0.00 -1.01 0.00 0.00 55.97 54.21 1s6o s LYS 35 Cb -0.01 -2.19 0.04 0.00 -1.01 0.00 0.00 37.83 34.66 1s6o s LYS 35 CO 0.00 -0.53 0.26 0.08 0.51 0.00 0.00 175.35 175.67 1s6o s VAL 36 N 1.62 4.76 -0.38 3.17 1.01 -1.26 -0.57 120.40 128.75 1s6o s VAL 36 Ca -0.02 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1s6o s VAL 36 Cb -0.17 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1s6o s VAL 36 CO -0.07 -0.33 1.00 -0.44 0.00 0.00 0.00 175.10 175.26 1s6o s SER 37 N 1.77 6.72 1.46 3.32 0.01 -0.98 -4.91 113.70 121.09 1s6o s SER 37 Ca 0.03 0.64 -0.24 0.00 1.31 0.00 0.00 55.95 57.69 1s6o s SER 37 Cb -0.20 -2.50 0.38 0.00 0.21 0.00 0.00 66.02 63.91 1s6o s SER 37 CO 0.07 -0.95 0.91 -0.76 0.41 0.00 0.00 173.24 172.92 1s6o s LEU 38 N 3.72 -1.39 0.00 2.44 1.43 -1.26 -3.05 118.68 120.56 1s6o s LEU 38 Ca 0.42 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1s6o s LEU 38 Cb -0.11 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1s6o s LEU 38 CO 0.21 -5.56 0.00 0.47 0.23 0.00 0.00 176.35 171.70 1s6o n ASP 39 N -5.76 0.00 0.27 2.29 9.92 -1.26 -4.14 116.55 117.88 1s6o n ASP 39 Ca 0.14 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.55 1s6o n ASP 39 Cb 0.61 0.00 0.76 0.00 -0.64 0.00 0.00 41.12 41.85 1s6o n ASP 39 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1s6o h ASN 40 N 0.00 0.00 -0.42 -2.24 -0.73 -2.01 -3.45 115.58 106.72 1s6o h ASN 40 Ca 0.00 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 57.99 1s6o h ASN 40 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.52 1s6o h ASN 40 CO 0.00 0.09 -0.16 0.00 -0.37 0.00 0.00 177.43 176.98 1s6o n GLN 41 N -3.41 -1.31 -5.21 6.67 6.02 -1.17 -4.97 117.38 113.99 1s6o n GLN 41 Ca -0.01 0.76 -0.31 0.00 -0.01 0.00 0.00 57.00 57.42 1s6o n GLN 41 Cb 0.25 -4.93 -0.17 0.00 1.02 0.00 0.00 30.24 26.41 1s6o n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s6o s GLU 42 N -2.54 2.78 0.10 -1.09 2.12 -1.17 -0.50 118.70 118.40 1s6o s GLU 42 Ca 0.00 -0.87 0.08 0.00 0.36 0.00 0.00 54.97 54.54 1s6o s GLU 42 Cb 0.00 -2.20 -0.04 0.00 0.26 0.00 0.00 34.13 32.15 1s6o s GLU 42 CO 0.00 0.26 -0.20 0.00 -0.54 0.00 0.00 175.26 174.78 1s6o s ALA 43 N 0.13 1.79 -0.08 6.30 0.00 -0.07 -2.32 121.76 127.52 1s6o s ALA 43 Ca -0.12 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.62 1s6o s ALA 43 Cb -0.16 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1s6o s ALA 43 CO 0.07 0.35 -0.18 0.99 0.00 0.00 0.00 175.76 176.98 1s6o s THR 44 N -1.22 1.60 0.18 0.00 2.01 0.26 -0.61 115.64 117.86 1s6o s THR 44 Ca 0.07 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.39 1s6o s THR 44 Cb -0.10 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1s6o s THR 44 CO 0.04 0.46 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.65 1s6o s ILE 45 N 0.46 1.69 -0.12 1.82 1.01 -0.58 -0.58 121.20 124.91 1s6o s ILE 45 Ca -0.16 -2.09 0.01 0.00 0.00 0.00 0.00 60.65 58.41 1s6o s ILE 45 Cb -0.17 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1s6o s ILE 45 CO 0.06 -0.52 -0.12 0.54 0.00 0.00 0.00 174.94 174.90 1s6o s VAL 46 N -2.68 1.32 0.39 2.92 0.11 0.07 -0.54 120.40 121.98 1s6o s VAL 46 Ca 0.19 -0.50 -0.14 0.00 -2.93 0.00 0.00 61.98 58.60 1s6o s VAL 46 Cb -0.02 -1.25 0.05 0.00 -1.53 0.00 0.00 36.38 33.63 1s6o s VAL 46 CO 0.06 0.41 0.76 -0.72 -3.33 0.00 0.00 175.10 172.29 1s6o s TYR 47 N 1.33 0.26 0.06 1.54 -0.85 0.00 -0.30 117.35 119.40 1s6o s TYR 47 Ca -0.01 -0.91 0.02 0.00 -0.52 0.00 0.00 57.07 55.65 1s6o s TYR 47 Cb -0.14 0.75 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1s6o s TYR 47 CO -0.06 -1.56 -0.07 -0.65 -1.52 0.00 0.00 175.55 171.69 1s6o s GLN 48 N -2.21 0.64 -1.08 -3.49 -0.21 -1.24 -0.76 119.66 111.31 1s6o s GLN 48 Ca 0.18 -0.98 -0.21 0.00 0.02 0.00 0.00 55.36 54.37 1s6o s GLN 48 Cb -0.05 -0.23 -0.08 0.00 1.00 0.00 0.00 33.01 33.66 1s6o s GLN 48 CO 0.13 0.01 1.94 -0.35 -2.12 0.00 0.00 175.29 174.91 1s6o n PRO 49 N 0.86 1.96 0.11 2.91 -0.04 -1.26 -3.69 135.00 135.85 1s6o n PRO 49 Ca -0.19 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 60.92 1s6o n PRO 49 Cb 0.57 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 1s6o n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6o n HIS 50 N 9.69 -2.03 0.02 0.54 8.25 -1.26 -4.92 115.22 125.50 1s6o n HIS 50 Ca 0.48 0.36 -0.04 0.00 -0.26 0.00 0.00 57.72 58.26 1s6o n HIS 50 Cb 0.43 0.58 -0.10 0.00 1.12 0.00 0.00 29.99 32.02 1s6o n HIS 50 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s6o h LEU 51 N 0.00 0.00 -8.76 2.41 3.38 -1.83 -3.47 115.31 107.04 1s6o h LEU 51 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1s6o h LEU 51 Cb 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 1s6o h LEU 51 CO 0.00 0.80 -0.87 -0.51 0.09 0.00 0.00 178.44 177.95 1s6o s ILE 52 N -2.76 2.20 -0.04 1.22 1.10 -1.24 -4.74 121.20 116.94 1s6o s ILE 52 Ca -0.02 -1.37 0.00 0.00 -0.51 0.00 0.00 60.65 58.75 1s6o s ILE 52 Cb 0.08 -1.86 0.05 0.00 0.15 0.00 0.00 42.46 40.88 1s6o s ILE 52 CO 0.81 0.37 1.17 -1.20 -2.11 0.00 0.00 174.94 173.98 1s6o n SER 53 N 1.76 3.32 0.00 4.50 7.64 -1.26 -4.50 113.62 125.07 1s6o n SER 53 Ca -0.17 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1s6o n SER 53 Cb 0.52 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1s6o n SER 53 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1s6o n VAL 54 N 0.47 0.00 0.09 0.44 0.31 -1.26 -3.62 118.33 114.76 1s6o n VAL 54 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.19 1s6o n VAL 54 Cb 0.58 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.37 1s6o n VAL 54 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s6o h GLU 55 N 0.00 0.31 -0.87 5.55 4.57 -2.01 -3.36 114.58 118.77 1s6o h GLU 55 Ca 0.00 -0.53 0.15 0.00 -1.18 0.00 0.00 59.36 57.80 1s6o h GLU 55 Cb 0.00 0.20 -0.15 0.00 -0.16 0.00 0.00 28.75 28.63 1s6o h GLU 55 CO 0.00 1.20 -0.32 0.93 -1.18 0.00 0.00 179.01 179.64 1s6o h GLU 56 N 0.08 -0.04 -0.82 1.92 5.08 -1.93 0.11 114.58 118.99 1s6o h GLU 56 Ca -0.23 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1s6o h GLU 56 Cb 2.04 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 31.15 1s6o h GLU 56 CO 0.19 -0.02 -0.29 -0.12 -1.00 0.00 0.00 179.01 177.77 1s6o n MET 57 N -5.50 -0.16 0.00 2.33 1.56 -1.26 0.12 117.12 114.22 1s6o n MET 57 Ca 0.10 1.27 -0.15 0.00 -0.27 0.00 0.00 57.70 58.65 1s6o n MET 57 Cb 0.41 -1.89 -0.04 0.00 2.15 0.00 0.00 33.22 33.84 1s6o n MET 57 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1s6o h LYS 58 N 0.00 0.68 -0.48 2.12 3.11 -1.07 -3.17 116.57 117.77 1s6o h LYS 58 Ca 0.32 -0.57 0.06 0.00 -2.81 0.00 0.00 60.65 57.65 1s6o h LYS 58 Cb 0.53 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.85 1s6o h LYS 58 CO -0.83 1.18 0.32 0.87 -2.81 0.00 0.00 179.45 178.18 1s6o h LYS 59 N 0.46 0.37 -0.81 1.90 1.79 0.93 -1.44 116.57 119.77 1s6o h LYS 59 Ca -0.05 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 1s6o h LYS 59 Cb 1.40 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.93 1s6o h LYS 59 CO 0.15 0.25 0.37 1.96 -1.08 0.00 0.00 179.45 181.10 1s6o h GLN 60 N 0.38 1.19 -0.41 3.15 4.20 -0.55 -0.94 115.11 122.14 1s6o h GLN 60 Ca 0.21 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1s6o h GLN 60 Cb 0.33 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1s6o h GLN 60 CO -0.05 0.93 0.23 0.82 -0.67 0.00 0.00 178.83 180.09 1s6o h ILE 61 N 1.16 1.03 -0.47 2.54 2.04 -1.33 -2.11 117.51 120.37 1s6o h ILE 61 Ca 0.28 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1s6o h ILE 61 Cb 0.15 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 1s6o h ILE 61 CO -0.03 0.09 -0.08 -0.33 0.00 0.00 0.00 178.15 177.79 1s6o h GLU 62 N 0.47 0.03 0.00 2.37 4.39 -0.46 -0.34 114.58 121.04 1s6o h GLU 62 Ca 0.17 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1s6o h GLU 62 Cb 0.02 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1s6o h GLU 62 CO -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 179.01 177.79 1s6o h ALA 63 N 1.46 1.00 0.00 3.43 0.00 -0.94 0.16 119.26 124.37 1s6o h ALA 63 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1s6o h ALA 63 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1s6o h ALA 63 CO -0.46 0.00 -0.02 0.52 0.00 0.00 0.00 179.25 179.29 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.38 -3.46 114.93 113.95 1s6o h MET 64 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6o h MET 64 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1s6o h MET 64 CO 0.00 0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.40 1s6o n GLY 65 N -0.90 1.54 3.11 8.32 0.00 0.49 -5.13 105.19 112.62 1s6o n GLY 65 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1s6o n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6o s PHE 66 N -2.00 -0.47 -0.09 1.61 0.08 -0.81 -4.98 117.98 111.32 1s6o s PHE 66 Ca 0.00 1.04 -0.29 0.00 0.12 0.00 0.00 56.93 57.80 1s6o s PHE 66 Cb 0.00 0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.48 1s6o s PHE 66 CO 0.00 -0.32 1.93 -1.25 -0.10 0.00 0.00 175.22 175.48 1s6o s PRO 67 N 1.82 3.83 0.51 0.24 0.04 -1.26 -3.99 135.00 136.19 1s6o s PRO 67 Ca -0.05 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1s6o s PRO 67 Cb -0.11 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1s6o s PRO 67 CO -0.10 -1.30 0.03 0.00 0.04 0.00 0.00 177.00 175.68 1s6o n ALA 68 N 8.72 0.47 -3.55 8.56 0.00 -1.26 -3.14 120.51 130.30 1s6o n ALA 68 Ca 0.22 -2.28 -0.15 0.00 0.00 0.00 0.00 53.44 51.22 1s6o n ALA 68 Cb 0.43 1.22 -0.06 0.00 0.00 0.00 0.00 19.45 21.04 1s6o n ALA 68 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1s6o s PHE 69 N -2.83 -0.57 -0.19 0.00 5.36 -0.20 -4.94 117.98 114.61 1s6o s PHE 69 Ca 0.03 1.03 -0.11 0.00 -0.96 0.00 0.00 56.93 56.91 1s6o s PHE 69 Cb -0.00 0.41 -0.05 0.00 -0.34 0.00 0.00 43.02 43.04 1s6o s PHE 69 CO 0.02 -0.50 0.18 0.08 -1.46 0.00 0.00 175.22 173.53 1s6o s VAL 70 N -1.03 5.37 -0.11 3.12 1.01 -1.26 -0.35 120.40 127.16 1s6o s VAL 70 Ca -0.07 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1s6o s VAL 70 Cb -0.01 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1s6o s VAL 70 CO 0.06 0.41 -0.21 0.29 0.00 0.00 0.00 175.10 175.66 1s6o n LYS 71 N 3.63 0.32 -3.97 2.72 5.02 -0.57 -4.90 118.16 120.41 1s6o n LYS 71 Ca -0.15 0.13 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 1s6o n LYS 71 Cb 0.52 -1.06 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1s6o n LYS 71 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1s6o s LYS 72 N -2.18 3.29 0.17 1.97 2.36 -0.08 -4.98 119.74 120.29 1s6o s LYS 72 Ca -0.18 -0.62 -0.04 0.00 -2.55 0.00 0.00 55.97 52.58 1s6o s LYS 72 Cb 0.02 -2.90 -0.03 0.00 -1.05 0.00 0.00 37.83 33.87 1s6o s LYS 72 CO 0.26 0.54 0.17 -1.50 1.55 0.00 0.00 175.35 176.37 1s6o s ILE 73 N -1.66 0.05 -1.07 5.43 2.07 -1.26 -3.67 121.20 121.09 1s6o s ILE 73 Ca 0.33 -1.79 -0.19 0.00 -1.41 0.00 0.00 60.65 57.60 1s6o s ILE 73 Cb -0.11 -2.18 -0.07 0.00 0.13 0.00 0.00 42.46 40.22 1s6o s ILE 73 CO 0.27 -0.23 2.05 -0.62 -1.91 0.00 0.00 174.94 174.51 1s6o n GLU 74 N -0.21 2.08 -3.61 3.50 4.71 -1.26 -4.67 120.64 121.19 1s6o n GLU 74 Ca -0.03 -2.17 0.00 0.00 -0.01 0.00 0.00 57.16 54.95 1s6o n GLU 74 Cb 0.64 -3.08 0.00 0.00 -1.01 0.00 0.00 31.44 27.99 1s6o n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s6o n GLY 75 N 4.36 -0.64 0.35 0.62 0.00 -1.26 -5.04 105.19 103.58 1s6o n GLY 75 Ca 0.51 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1s6o n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86