#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6o n GLU 2 N 0.00 0.00 -3.34 1.61 4.71 -1.26 -4.90 120.64 117.46 1s6o n GLU 2 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.77 1s6o n GLU 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1s6o s VAL 3 N 0.00 5.20 0.38 2.62 1.01 0.47 -4.78 120.40 125.30 1s6o s VAL 3 Ca 0.00 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.64 1s6o s VAL 3 Cb 0.00 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1s6o s VAL 3 CO 0.00 0.32 1.01 0.54 0.00 0.00 0.00 175.10 176.98 1s6o s VAL 4 N 0.67 3.90 -0.03 2.92 0.11 -1.26 -1.18 120.40 125.54 1s6o s VAL 4 Ca 0.25 1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 60.74 1s6o s VAL 4 Cb -0.15 -3.76 0.01 0.00 -1.53 0.00 0.00 36.38 30.96 1s6o s VAL 4 CO 0.09 0.01 0.07 -0.22 -3.33 0.00 0.00 175.10 171.73 1s6o s LEU 5 N -2.54 1.59 -0.20 2.54 1.98 0.61 -4.72 118.68 117.95 1s6o s LEU 5 Ca 0.56 0.15 0.01 0.00 -2.89 0.00 0.00 54.13 51.96 1s6o s LEU 5 Cb -0.20 0.23 0.04 0.00 0.66 0.00 0.00 46.19 46.91 1s6o s LEU 5 CO 0.25 -0.04 -0.14 -0.75 -1.89 0.00 0.00 176.35 173.78 1s6o s LYS 6 N 0.21 2.43 0.12 1.98 2.36 -1.26 -0.51 119.74 125.07 1s6o s LYS 6 Ca -0.01 -0.89 0.10 0.00 -2.55 0.00 0.00 55.97 52.62 1s6o s LYS 6 Cb -0.02 -2.51 -0.04 0.00 -1.05 0.00 0.00 37.83 34.21 1s6o s LYS 6 CO -0.01 -0.35 -0.25 0.00 1.55 0.00 0.00 175.35 176.29 1s6o s MET 7 N 1.32 1.31 -0.17 4.03 0.23 0.38 -3.36 119.30 123.03 1s6o s MET 7 Ca 0.00 -1.28 -0.10 0.00 -1.03 0.00 0.00 55.69 53.28 1s6o s MET 7 Cb -0.15 -1.72 -0.05 0.00 -1.53 0.00 0.00 34.83 31.38 1s6o s MET 7 CO -0.10 0.41 0.18 0.15 -2.03 0.00 0.00 175.02 173.63 1s6o s LYS 8 N -1.99 4.03 -0.51 3.16 -0.14 0.30 -0.95 119.74 123.63 1s6o s LYS 8 Ca 0.11 -0.11 0.07 0.00 -1.36 0.00 0.00 55.97 54.69 1s6o s LYS 8 Cb -0.10 -3.36 0.30 0.00 -1.68 0.00 0.00 37.83 32.99 1s6o s LYS 8 CO 0.05 0.41 0.77 0.28 -0.76 0.00 0.00 175.35 176.10 1s6o n VAL 9 N 3.12 1.48 -1.67 3.17 0.31 0.27 -0.83 118.33 124.18 1s6o n VAL 9 Ca -0.16 -4.98 -0.34 0.00 -0.01 0.00 0.00 64.34 58.85 1s6o n VAL 9 Cb 0.53 -1.44 0.07 0.00 -0.91 0.00 0.00 33.84 32.09 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 -2.56 2.52 0.00 5.55 0.41 -1.26 -3.47 118.70 119.89 1s6o s GLU 10 Ca 0.42 1.69 0.00 0.00 -0.41 0.00 0.00 54.97 56.67 1s6o s GLU 10 Cb 0.24 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.70 1s6o s GLU 10 CO -0.09 -1.52 0.00 0.41 -0.49 0.00 0.00 175.26 173.57 1s6o n GLY 11 N 0.21 3.06 3.71 -1.39 0.00 -1.26 -4.30 105.19 105.21 1s6o n GLY 11 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1s6o n GLY 11 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s6o s MET 12 N -0.25 4.27 0.79 1.61 0.00 -1.23 -4.99 119.30 119.51 1s6o s MET 12 Ca 0.00 2.17 -0.12 0.00 0.00 0.00 0.00 55.69 57.74 1s6o s MET 12 Cb 0.00 -3.34 0.07 0.00 0.00 0.00 0.00 34.83 31.56 1s6o s MET 12 CO 0.00 -0.55 1.13 0.95 0.00 0.00 0.00 175.02 176.55 1s6o s THR 13 N 1.58 2.71 0.79 10.11 -4.23 -1.26 -4.96 115.64 120.38 1s6o s THR 13 Ca 0.67 0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 61.27 1s6o s THR 13 Cb -0.38 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.40 1s6o s THR 13 CO 0.30 -0.30 1.11 0.00 -0.54 0.00 0.00 174.62 175.19 1s6o n HIS 15 N -3.11 0.00 0.00 0.00 -0.00 -1.26 -4.49 115.22 106.36 1s6o n HIS 15 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 1s6o n HIS 15 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s6o n SER 16 N 0.00 0.00 -4.13 0.26 2.88 -1.26 -5.00 113.62 106.37 1s6o n SER 16 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1s6o n SER 16 Cb 0.00 0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 1s6o n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6o n THR 18 N 6.26 0.00 -0.25 0.00 -2.24 -1.26 -4.82 114.28 111.97 1s6o n THR 18 Ca 0.49 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.39 1s6o n THR 18 Cb 0.43 -0.22 0.40 0.00 -2.10 0.00 0.00 70.33 68.84 1s6o n THR 18 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6o h SER 19 N 0.00 0.61 0.10 3.42 0.02 -1.98 0.43 113.55 116.15 1s6o h SER 19 Ca 0.00 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1s6o h SER 19 Cb 0.00 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1s6o h SER 19 CO 0.00 0.31 -0.44 0.74 -1.14 0.00 0.00 176.83 176.31 1s6o h THR 20 N 0.65 0.13 0.08 -2.27 2.02 -1.92 0.21 112.91 111.81 1s6o h THR 20 Ca 0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.64 1s6o h THR 20 Cb 0.74 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1s6o h THR 20 CO -0.19 0.00 -0.26 0.40 0.37 0.00 0.00 175.52 175.84 1s6o h ILE 21 N -0.66 0.43 0.39 3.11 5.03 -0.64 -0.16 117.51 125.01 1s6o h ILE 21 Ca 0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.75 1s6o h ILE 21 Cb 0.69 0.43 -0.00 0.00 -3.03 0.00 0.00 36.82 34.91 1s6o h ILE 21 CO -0.26 0.00 -0.25 -0.33 -0.68 0.00 0.00 178.15 176.63 1s6o h GLU 22 N -0.44 -0.58 -0.49 2.37 5.08 -0.35 0.10 114.58 120.27 1s6o h GLU 22 Ca 0.04 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1s6o h GLU 22 Cb 0.48 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1s6o h GLU 22 CO -0.17 -0.39 -0.30 0.78 -1.00 0.00 0.00 179.01 177.94 1s6o h GLY 23 N -0.60 -0.09 0.79 -3.84 0.00 -0.65 0.27 103.07 98.95 1s6o h GLY 23 Ca -0.05 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1s6o h GLY 23 CO 0.05 -0.21 -0.02 1.70 0.00 0.00 0.00 176.54 178.05 1s6o h LYS 24 N -0.18 -0.06 -0.97 4.80 3.64 -0.86 -2.45 116.57 120.49 1s6o h LYS 24 Ca 0.21 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1s6o h LYS 24 Cb 0.53 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1s6o h LYS 24 CO -0.59 0.15 0.62 0.82 -2.27 0.00 0.00 179.45 178.18 1s6o h ILE 25 N -0.28 0.93 -0.01 2.00 1.08 -0.56 0.15 117.51 120.82 1s6o h ILE 25 Ca -0.01 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1s6o h ILE 25 Cb 0.25 -0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 1s6o h ILE 25 CO 0.01 0.17 0.30 1.23 -0.69 0.00 0.00 178.15 179.17 1s6o h GLY 26 N 0.95 0.00 0.76 5.37 0.00 0.03 0.12 103.07 110.29 1s6o h GLY 26 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1s6o h GLY 26 CO -0.23 0.00 -1.20 1.17 0.00 0.00 0.00 176.54 176.28 1s6o n LYS 27 N -2.94 0.58 -2.15 4.80 4.81 0.04 -4.91 118.16 118.39 1s6o n LYS 27 Ca -0.02 0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 57.05 1s6o n LYS 27 Cb 0.35 -1.74 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1s6o s LEU 28 N -5.04 4.41 -0.28 3.14 2.01 0.41 -4.91 118.68 118.42 1s6o s LEU 28 Ca -0.02 2.47 -0.33 0.00 0.01 0.00 0.00 54.13 56.27 1s6o s LEU 28 Cb 0.11 -3.61 -0.09 0.00 0.01 0.00 0.00 46.19 42.61 1s6o s LEU 28 CO 0.81 -0.58 2.18 0.00 1.01 0.00 0.00 176.35 179.77 1s6o n GLN 29 N 2.63 1.49 0.00 1.70 10.64 -1.26 -1.63 117.38 130.94 1s6o n GLN 29 Ca 0.07 0.42 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 1s6o n GLN 29 Cb 0.42 -2.76 0.00 0.00 -0.86 0.00 0.00 30.24 27.04 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 6.09 1.17 3.73 2.61 0.00 -1.26 -3.71 105.19 113.82 1s6o n GLY 30 Ca 0.36 0.00 -0.41 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 -1.40 4.30 -0.16 1.61 1.01 -0.65 -3.39 120.40 121.73 1s6o s VAL 31 Ca 0.00 2.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 1s6o s VAL 31 Cb 0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1s6o s VAL 31 CO 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 175.10 175.28 1s6o n GLN 32 N 2.43 0.38 -3.60 2.72 1.13 0.18 -4.91 117.38 115.71 1s6o n GLN 32 Ca 0.01 0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 55.08 1s6o n GLN 32 Cb 0.48 -1.23 -0.04 0.00 0.11 0.00 0.00 30.24 29.56 1s6o n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6o s ARG 33 N -2.31 1.20 0.00 -1.09 3.52 -1.09 -5.01 118.95 114.17 1s6o s ARG 33 Ca -0.22 -0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 54.68 1s6o s ARG 33 Cb 0.07 0.51 -0.01 0.00 -1.56 0.00 0.00 34.95 33.97 1s6o s ARG 33 CO 0.34 -0.50 0.02 -1.50 -0.81 0.00 0.00 175.30 172.85 1s6o s ILE 34 N -3.81 0.05 -0.30 4.11 2.07 -1.26 -0.52 121.20 121.54 1s6o s ILE 34 Ca 0.04 -0.40 -0.03 0.00 -1.41 0.00 0.00 60.65 58.85 1s6o s ILE 34 Cb 0.00 -0.17 0.11 0.00 0.13 0.00 0.00 42.46 42.53 1s6o s ILE 34 CO -0.10 -0.22 0.16 -0.54 -1.91 0.00 0.00 174.94 172.33 1s6o s LYS 35 N -0.67 0.25 -0.40 3.50 3.01 0.81 -4.98 119.74 121.26 1s6o s LYS 35 Ca -0.07 -0.57 -0.20 0.00 -1.01 0.00 0.00 55.97 54.12 1s6o s LYS 35 Cb -0.05 -1.10 0.01 0.00 -1.01 0.00 0.00 37.83 35.68 1s6o s LYS 35 CO -0.00 -1.04 0.60 0.08 0.51 0.00 0.00 175.35 175.50 1s6o s VAL 36 N 2.02 4.90 -0.85 3.17 1.01 -1.26 -0.46 120.40 128.92 1s6o s VAL 36 Ca 0.10 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 1s6o s VAL 36 Cb -0.16 -4.11 0.17 0.00 0.00 0.00 0.00 36.38 32.27 1s6o s VAL 36 CO -0.32 -0.44 0.92 -0.44 0.00 0.00 0.00 175.10 174.82 1s6o s SER 37 N 1.89 6.65 1.34 3.32 0.01 0.69 -4.98 113.70 122.62 1s6o s SER 37 Ca 0.22 -2.30 -0.20 0.00 1.31 0.00 0.00 55.95 54.98 1s6o s SER 37 Cb -0.15 -2.30 0.33 0.00 0.21 0.00 0.00 66.02 64.11 1s6o s SER 37 CO 0.16 -0.83 0.78 0.18 0.41 0.00 0.00 173.24 173.94 1s6o n LEU 38 N 5.30 -0.85 0.00 2.44 4.77 -1.26 -1.88 117.00 125.52 1s6o n LEU 38 Ca 0.16 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1s6o n LEU 38 Cb 0.47 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1s6o n LEU 38 CO 0.43 -4.12 0.00 0.47 -1.33 0.00 0.00 177.39 172.83 1s6o n ASP 39 N -4.77 0.00 0.23 -1.43 9.92 -1.26 -4.22 116.55 115.02 1s6o n ASP 39 Ca 0.10 0.00 0.16 0.00 -0.53 0.00 0.00 54.79 54.51 1s6o n ASP 39 Cb 0.55 0.00 0.67 0.00 -0.64 0.00 0.00 41.12 41.70 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 -4.14 -2.24 -1.24 -2.01 -3.46 115.58 102.48 1s6o h ASN 40 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.76 1s6o h ASN 40 Cb 0.00 0.00 0.09 0.00 0.73 0.00 0.00 38.32 39.14 1s6o h ASN 40 CO 0.00 0.00 -0.45 0.00 -1.29 0.00 0.00 177.43 175.69 1s6o n GLN 41 N -2.73 -4.96 -3.83 6.67 6.02 -1.16 -4.97 117.38 112.42 1s6o n GLN 41 Ca 0.01 0.53 -0.12 0.00 -0.01 0.00 0.00 57.00 57.41 1s6o n GLN 41 Cb 0.23 -4.67 -0.12 0.00 1.02 0.00 0.00 30.24 26.71 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 -5.67 0.24 0.02 -1.09 2.12 -0.79 -0.56 118.70 112.97 1s6o s GLU 42 Ca 0.31 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.73 1s6o s GLU 42 Cb -0.14 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 1s6o s GLU 42 CO 0.47 -0.04 -0.02 0.00 -0.54 0.00 0.00 175.26 175.12 1s6o s ALA 43 N -0.20 0.13 -0.10 6.30 0.00 -0.13 -0.23 121.76 127.54 1s6o s ALA 43 Ca -0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 1s6o s ALA 43 Cb -0.02 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1s6o s ALA 43 CO 0.00 -0.18 -0.07 0.99 0.00 0.00 0.00 175.76 176.51 1s6o s THR 44 N -1.66 0.92 0.20 0.00 2.01 0.39 -0.47 115.64 117.04 1s6o s THR 44 Ca -0.14 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 61.69 1s6o s THR 44 Cb -0.08 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1s6o s THR 44 CO -0.02 0.35 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.48 1s6o s ILE 45 N 1.60 1.75 -0.13 1.82 1.09 0.33 -0.13 121.20 127.53 1s6o s ILE 45 Ca 0.02 -2.21 -0.00 0.00 -1.10 0.00 0.00 60.65 57.36 1s6o s ILE 45 Cb -0.13 -2.04 0.03 0.00 -1.06 0.00 0.00 42.46 39.26 1s6o s ILE 45 CO -0.06 -0.59 -0.07 0.54 -0.10 0.00 0.00 174.94 174.66 1s6o s VAL 46 N -2.94 1.05 0.36 2.92 0.11 0.32 -0.28 120.40 121.93 1s6o s VAL 46 Ca 0.22 -0.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.76 1s6o s VAL 46 Cb -0.01 -1.12 0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1s6o s VAL 46 CO 0.07 0.30 0.70 0.00 -3.33 0.00 0.00 175.10 172.84 1s6o n TYR 47 N 4.92 -2.19 -3.78 1.54 0.18 -0.32 -0.64 117.16 116.87 1s6o n TYR 47 Ca -0.12 -1.72 -0.13 0.00 1.88 0.00 0.00 57.90 57.80 1s6o n TYR 47 Cb 0.49 0.82 -0.10 0.00 -0.38 0.00 0.00 39.34 40.17 1s6o n TYR 47 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1s6o s GLN 48 N -2.13 0.46 -1.05 -3.48 -2.07 -1.22 -0.40 119.66 109.79 1s6o s GLN 48 Ca 0.15 0.10 -0.24 0.00 -1.82 0.00 0.00 55.36 53.56 1s6o s GLN 48 Cb -0.04 0.21 -0.14 0.00 -1.09 0.00 0.00 33.01 31.95 1s6o s GLN 48 CO 0.11 -0.10 1.94 -0.35 -1.32 0.00 0.00 175.29 175.58 1s6o n PRO 49 N 2.19 1.28 0.07 9.60 -0.04 -1.26 -3.59 135.00 143.26 1s6o n PRO 49 Ca -0.17 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1s6o n PRO 49 Cb 0.57 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 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 13.84 -1.37 0.04 0.54 8.25 -1.26 -4.92 115.22 130.33 1s6o n HIS 50 Ca 0.45 0.25 0.08 0.00 -0.26 0.00 0.00 57.72 58.25 1s6o n HIS 50 Cb 0.45 0.67 -0.09 0.00 1.12 0.00 0.00 29.99 32.15 1s6o n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1s6o n LEU 51 N -2.95 0.45 -4.34 2.41 4.77 -1.24 -4.93 117.00 111.17 1s6o n LEU 51 Ca 0.00 0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 1s6o n LEU 51 Cb 0.00 0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1s6o n LEU 51 CO 0.00 -0.03 -0.56 -0.51 -1.33 0.00 0.00 177.39 174.96 1s6o s ILE 52 N -3.32 2.08 -0.54 -0.08 1.10 -1.24 -4.72 121.20 114.48 1s6o s ILE 52 Ca -0.05 -1.46 0.00 0.00 -0.51 0.00 0.00 60.65 58.64 1s6o s ILE 52 Cb 0.11 -1.80 0.00 0.00 0.15 0.00 0.00 42.46 40.92 1s6o s ILE 52 CO 0.84 0.26 0.51 -1.20 -2.11 0.00 0.00 174.94 173.25 1s6o n SER 53 N 1.56 1.34 0.00 4.50 7.64 -1.26 -4.42 113.62 122.97 1s6o n SER 53 Ca -0.17 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.31 1s6o n SER 53 Cb 0.52 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.38 0.00 0.09 0.44 0.31 -1.26 -4.08 118.33 114.21 1s6o n VAL 54 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1s6o n VAL 54 Cb 0.25 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.40 -0.94 5.55 4.57 -1.98 -3.37 114.58 118.82 1s6o h GLU 55 Ca 0.00 -0.69 0.18 0.00 -1.18 0.00 0.00 59.36 57.67 1s6o h GLU 55 Cb 0.00 0.26 -0.17 0.00 -0.16 0.00 0.00 28.75 28.67 1s6o h GLU 55 CO 0.00 1.33 -0.27 0.93 -1.18 0.00 0.00 179.01 179.82 1s6o h GLU 56 N -0.13 -0.01 -0.97 1.92 5.08 -1.93 0.55 114.58 119.10 1s6o h GLU 56 Ca -0.22 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1s6o h GLU 56 Cb 1.90 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.03 1s6o h GLU 56 CO 0.20 -0.01 -0.59 1.98 -1.00 0.00 0.00 179.01 179.60 1s6o h MET 57 N -0.01 -0.02 -0.08 2.33 4.05 -1.93 0.15 114.93 119.43 1s6o h MET 57 Ca 0.42 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.69 1s6o h MET 57 Cb 0.66 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1s6o h MET 57 CO -0.96 -0.01 -0.53 -0.22 0.23 0.00 0.00 176.91 175.41 1s6o h LYS 58 N -0.02 0.50 -0.17 0.39 1.63 -1.53 -3.32 116.57 114.05 1s6o h LYS 58 Ca 0.16 -0.43 0.05 0.00 -0.85 0.00 0.00 60.65 59.57 1s6o h LYS 58 Cb 0.42 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1s6o h LYS 58 CO -0.92 1.07 0.16 0.87 -3.45 0.00 0.00 179.45 177.18 1s6o h LYS 59 N 0.08 0.00 -0.84 1.90 1.79 0.42 0.25 116.57 120.17 1s6o h LYS 59 Ca -0.04 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1s6o h LYS 59 Cb 1.19 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.79 1s6o h LYS 59 CO 0.11 0.00 0.54 -0.56 -1.08 0.00 0.00 179.45 178.46 1s6o h GLN 60 N 0.00 1.03 -0.33 3.15 3.07 -0.85 0.49 115.11 121.67 1s6o h GLN 60 Ca 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 1s6o h GLN 60 Cb 0.41 -0.23 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 1s6o h GLN 60 CO -0.00 0.68 0.06 0.82 0.09 0.00 0.00 178.83 180.48 1s6o h ILE 61 N 1.06 1.17 0.25 1.86 5.03 -0.69 -0.11 117.51 126.09 1s6o h ILE 61 Ca 0.33 -0.61 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 1s6o h ILE 61 Cb -0.02 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 34.63 1s6o h ILE 61 CO -0.10 0.21 -0.12 -0.33 -0.68 0.00 0.00 178.15 177.13 1s6o h GLU 62 N 0.48 -0.33 -0.47 2.37 5.08 -0.78 -3.19 114.58 117.73 1s6o h GLU 62 Ca 0.11 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1s6o h GLU 62 Cb 0.22 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1s6o h GLU 62 CO -0.00 -0.17 0.33 0.00 -1.00 0.00 0.00 179.01 178.17 1s6o h ALA 63 N 0.32 2.17 -0.96 3.43 0.00 0.17 0.21 119.26 124.61 1s6o h ALA 63 Ca -0.03 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1s6o h ALA 63 Cb 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1s6o h ALA 63 CO 0.06 -0.28 0.62 0.52 0.00 0.00 0.00 179.25 180.16 1s6o h MET 64 N 0.21 0.48 0.00 0.00 2.86 -1.05 -3.46 114.93 113.96 1s6o h MET 64 Ca 0.22 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1s6o h MET 64 Cb 0.60 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1s6o h MET 64 CO -0.04 0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.66 1s6o n GLY 65 N -1.47 3.28 3.63 8.32 0.00 0.73 -5.12 105.19 114.57 1s6o n GLY 65 Ca 0.21 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 1.96 -0.55 1.61 0.08 -1.22 -4.91 117.98 114.95 1s6o s PHE 66 Ca 0.00 0.45 -0.27 0.00 0.12 0.00 0.00 56.93 57.23 1s6o s PHE 66 Cb 0.00 -3.99 -0.03 0.00 -0.57 0.00 0.00 43.02 38.43 1s6o s PHE 66 CO 0.00 -3.29 1.95 -1.25 -0.10 0.00 0.00 175.22 172.53 1s6o s PRO 67 N 4.75 2.64 0.22 0.24 0.04 -1.26 -4.15 135.00 137.47 1s6o s PRO 67 Ca 0.75 0.88 0.01 0.00 0.04 0.00 0.00 61.00 62.68 1s6o s PRO 67 Cb -0.27 -4.40 -0.05 0.00 0.04 0.00 0.00 34.50 29.82 1s6o s PRO 67 CO 0.31 -2.70 0.08 0.00 0.04 0.00 0.00 177.00 174.72 1s6o s ALA 68 N 9.32 1.46 0.01 8.56 0.00 -1.26 -4.23 121.76 135.63 1s6o s ALA 68 Ca 0.75 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 1s6o s ALA 68 Cb -0.15 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1s6o s ALA 68 CO 0.24 -0.46 0.03 -0.06 0.00 0.00 0.00 175.76 175.51 1s6o s PHE 69 N -3.84 0.15 -0.03 0.00 0.40 -0.01 -4.79 117.98 109.85 1s6o s PHE 69 Ca 0.34 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.32 1s6o s PHE 69 Cb 0.07 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.45 1s6o s PHE 69 CO 0.10 -0.20 0.18 0.54 0.70 0.00 0.00 175.22 176.55 1s6o s VAL 70 N -1.22 5.44 0.00 -0.44 0.11 -1.26 -0.54 120.40 122.49 1s6o s VAL 70 Ca -0.13 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1s6o s VAL 70 Cb -0.08 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 1s6o s VAL 70 CO -0.00 0.39 0.00 0.29 -3.33 0.00 0.00 175.10 172.45 1s6o n LYS 71 N 1.17 0.00 -3.61 1.54 5.02 -1.22 -4.95 118.16 116.12 1s6o n LYS 71 Ca -0.13 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.00 1s6o n LYS 71 Cb 0.53 -0.21 -0.07 0.00 -0.02 0.00 0.00 35.03 35.26 1s6o n LYS 71 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1s6o s LYS 72 N 0.00 0.89 -0.07 1.97 -2.85 -1.26 -5.12 119.74 113.29 1s6o s LYS 72 Ca 0.00 0.32 -0.00 0.00 -1.00 0.00 0.00 55.97 55.29 1s6o s LYS 72 Cb 0.00 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.21 1s6o s LYS 72 CO 0.00 -0.24 -0.03 -1.50 0.10 0.00 0.00 175.35 173.68 1s6o s ILE 73 N -0.82 0.57 -0.01 3.79 -1.16 -1.26 -4.56 121.20 117.74 1s6o s ILE 73 Ca -0.09 -0.05 -0.25 0.00 -0.51 0.00 0.00 60.65 59.75 1s6o s ILE 73 Cb -0.02 -0.65 0.06 0.00 0.61 0.00 0.00 42.46 42.45 1s6o s ILE 73 CO 0.06 0.27 0.56 -1.83 -2.81 0.00 0.00 174.94 171.20 1s6o s GLU 74 N 1.56 0.98 -0.54 3.50 4.04 -1.26 -5.05 118.70 121.92 1s6o s GLU 74 Ca -0.01 0.02 -0.23 0.00 0.04 0.00 0.00 54.97 54.80 1s6o s GLU 74 Cb -0.13 0.45 0.05 0.00 0.02 0.00 0.00 34.13 34.52 1s6o s GLU 74 CO -0.04 -0.32 0.86 0.20 -1.84 0.00 0.00 175.26 174.12 1s6o s GLY 75 N -1.45 1.50 0.00 -3.83 0.00 -1.26 -4.90 107.32 97.38 1s6o s GLY 75 Ca -0.10 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1s6o s GLY 75 CO 0.05 1.90 0.39 -2.13 0.00 0.00 0.00 173.10 173.31