#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6g s SER 2 N 0.00 2.27 -0.90 1.61 0.15 -1.26 -5.08 113.70 110.49 1x6g s SER 2 Ca 0.00 -1.23 -0.23 0.00 0.70 0.00 0.00 55.95 55.19 1x6g s SER 2 Cb 0.00 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.30 1x6g s SER 2 CO 0.00 -0.46 1.30 -0.44 1.20 0.00 0.00 173.24 174.84 1x6g s SER 3 N -3.38 6.42 -0.94 5.45 0.01 -1.26 -4.41 113.70 115.58 1x6g s SER 3 Ca 0.30 -1.30 -0.10 0.00 1.31 0.00 0.00 55.95 56.16 1x6g s SER 3 Cb 0.05 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1x6g s SER 3 CO 0.11 -1.49 0.63 0.61 0.41 0.00 0.00 173.24 173.50 1x6g n GLY 4 N 6.14 -1.18 1.18 3.44 0.00 -1.26 -4.52 105.19 108.98 1x6g n GLY 4 Ca 0.21 0.53 0.15 0.00 0.00 0.00 0.00 46.02 46.90 1x6g n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6g n SER 5 N -2.49 -6.66 -4.72 1.61 2.88 -1.26 -4.86 113.62 98.12 1x6g n SER 5 Ca -0.26 1.06 -0.35 0.00 -1.33 0.00 0.00 58.87 57.99 1x6g n SER 5 Cb 0.66 -3.96 -0.08 0.00 -0.75 0.00 0.00 64.21 60.07 1x6g n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x6g s SER 6 N -6.73 5.90 0.00 -3.46 0.15 -1.26 -4.97 113.70 103.33 1x6g s SER 6 Ca 0.00 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1x6g s SER 6 Cb 0.00 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1x6g s SER 6 CO 0.00 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1x6g n GLY 7 N 2.95 0.33 3.70 9.45 0.00 -1.26 -5.12 105.19 115.24 1x6g n GLY 7 Ca -0.18 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1x6g n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x6g s ARG 8 N 0.00 4.23 0.01 1.61 1.70 -1.26 -5.00 118.95 120.24 1x6g s ARG 8 Ca 0.00 2.26 -0.12 0.00 -0.47 0.00 0.00 55.73 57.39 1x6g s ARG 8 Cb 0.00 -3.45 0.02 0.00 -0.57 0.00 0.00 34.95 30.94 1x6g s ARG 8 CO 0.00 -0.65 0.26 -1.64 -1.08 0.00 0.00 175.30 172.19 1x6g s MET 9 N 2.09 0.67 0.03 3.89 -1.94 -1.26 -5.14 119.30 117.63 1x6g s MET 9 Ca 0.71 -0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 54.02 1x6g s MET 9 Cb -0.39 0.29 -0.05 0.00 2.01 0.00 0.00 34.83 36.69 1x6g s MET 9 CO 0.31 -0.19 1.18 -1.25 -0.01 0.00 0.00 175.02 175.06 1x6g s PRO 10 N -1.77 4.42 0.03 2.03 0.04 -1.26 -5.03 135.00 133.46 1x6g s PRO 10 Ca -0.11 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1x6g s PRO 10 Cb -0.04 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1x6g s PRO 10 CO 0.01 -0.29 -0.11 -0.08 0.04 0.00 0.00 177.00 176.57 1x6g s THR 11 N 1.35 0.87 -0.41 1.26 -1.32 -1.26 -5.10 115.64 111.03 1x6g s THR 11 Ca 0.57 -0.81 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 1x6g s THR 11 Cb -0.27 -0.79 0.16 0.00 -1.51 0.00 0.00 72.50 70.08 1x6g s THR 11 CO 0.27 -0.01 0.31 -0.13 -2.21 0.00 0.00 174.62 172.85 1x6g s ARG 12 N -0.92 0.90 0.10 7.08 0.52 -1.26 -5.11 118.95 120.26 1x6g s ARG 12 Ca 0.00 -1.95 -0.00 0.00 -0.52 0.00 0.00 55.73 53.26 1x6g s ARG 12 Cb -0.07 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 1x6g s ARG 12 CO 0.01 -1.33 0.00 1.03 0.02 0.00 0.00 175.30 175.03 1x6g s ARG 13 N 0.27 0.82 0.67 3.54 1.81 -1.26 -5.15 118.95 119.65 1x6g s ARG 13 Ca 0.28 -1.36 -0.13 0.00 -1.72 0.00 0.00 55.73 52.80 1x6g s ARG 13 Cb -0.05 0.10 -0.00 0.00 -0.45 0.00 0.00 34.95 34.55 1x6g s ARG 13 CO -0.13 -0.16 1.07 -1.58 -0.68 0.00 0.00 175.30 173.82 1x6g s TRP 14 N -3.89 2.98 0.40 -0.53 0.51 -1.26 -5.06 118.94 112.08 1x6g s TRP 14 Ca 0.16 1.48 0.08 0.00 -2.12 0.00 0.00 56.10 55.69 1x6g s TRP 14 Cb 0.07 -2.96 -0.03 0.00 -0.81 0.00 0.00 33.47 29.74 1x6g s TRP 14 CO -0.03 -1.28 0.31 0.00 -0.51 0.00 0.00 176.95 175.44 1x6g s ALA 15 N -2.78 3.90 -0.36 0.98 0.00 -1.26 -5.02 121.76 117.22 1x6g s ALA 15 Ca 0.61 -1.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1x6g s ALA 15 Cb -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1x6g s ALA 15 CO 0.48 -0.16 1.38 -1.25 0.00 0.00 0.00 175.76 176.21 1x6g s PRO 16 N -4.05 3.71 0.00 0.00 0.04 -1.26 -2.72 135.00 130.71 1x6g s PRO 16 Ca 0.45 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1x6g s PRO 16 Cb -0.02 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1x6g s PRO 16 CO 0.26 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.32 1x6g n GLY 17 N 4.78 1.00 3.80 0.56 0.00 -0.22 -4.92 105.19 110.18 1x6g n GLY 17 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1x6g n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6g s THR 18 N -1.20 4.35 -0.25 2.61 2.01 -1.10 -4.70 115.64 117.35 1x6g s THR 18 Ca 0.00 1.60 -0.18 0.00 0.31 0.00 0.00 61.69 63.42 1x6g s THR 18 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1x6g s THR 18 CO 0.00 0.09 0.52 -1.10 -0.69 0.00 0.00 174.62 173.45 1x6g s GLN 19 N -2.20 4.10 0.11 4.92 -0.21 -1.26 -1.58 119.66 123.55 1x6g s GLN 19 Ca 0.50 0.36 0.07 0.00 0.02 0.00 0.00 55.36 56.31 1x6g s GLN 19 Cb -0.17 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 1x6g s GLN 19 CO 0.21 -0.31 -0.10 0.00 -2.12 0.00 0.00 175.29 172.97 1x6g s ILE 21 N -1.27 2.94 0.36 0.00 -1.09 0.55 -1.88 121.20 120.81 1x6g s ILE 21 Ca 0.22 -1.54 -0.20 0.00 -2.23 0.00 0.00 60.65 56.90 1x6g s ILE 21 Cb -0.11 -2.37 -0.10 0.00 -1.58 0.00 0.00 42.46 38.30 1x6g s ILE 21 CO 0.14 0.05 0.87 0.42 -1.23 0.00 0.00 174.94 175.19 1x6g s THR 22 N -1.29 4.45 -0.03 2.92 -4.23 -1.21 0.92 115.64 117.17 1x6g s THR 22 Ca 0.20 1.40 0.07 0.00 -1.18 0.00 0.00 61.69 62.18 1x6g s THR 22 Cb -0.10 -3.71 -0.24 0.00 1.34 0.00 0.00 72.50 69.79 1x6g s THR 22 CO 0.11 -0.13 0.73 0.11 -0.54 0.00 0.00 174.62 174.90 1x6g h LYS 23 N 2.42 0.07 -4.85 3.99 1.57 -1.87 -3.23 116.57 114.68 1x6g h LYS 23 Ca -0.48 -0.12 -0.42 0.00 -1.87 0.00 0.00 60.65 57.76 1x6g h LYS 23 Cb 1.18 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 1x6g h LYS 23 CO 0.63 0.74 -0.54 0.00 -0.57 0.00 0.00 179.45 179.72 1x6g s GLU 25 N -3.71 3.59 -0.26 0.00 -1.05 -1.26 -3.67 118.70 112.33 1x6g s GLU 25 Ca 0.38 -0.14 0.01 0.00 -0.15 0.00 0.00 54.97 55.06 1x6g s GLU 25 Cb 0.04 -3.23 0.08 0.00 -0.44 0.00 0.00 34.13 30.57 1x6g s GLU 25 CO 0.21 0.69 0.00 -1.58 0.95 0.00 0.00 175.26 175.53 1x6g s HIS 26 N -0.77 2.37 -0.13 4.83 2.46 0.49 -4.85 115.29 119.69 1x6g s HIS 26 Ca 0.14 -1.89 0.07 0.00 0.47 0.00 0.00 55.06 53.85 1x6g s HIS 26 Cb -0.12 -1.79 -0.23 0.00 -0.13 0.00 0.00 32.58 30.31 1x6g s HIS 26 CO 0.03 -0.81 0.32 0.25 -2.47 0.00 0.00 174.74 172.05 1x6g n THR 27 N 4.67 1.59 -3.84 0.89 -2.24 -1.25 -0.07 114.28 114.02 1x6g n THR 27 Ca -0.07 -0.74 -0.30 0.00 -2.27 0.00 0.00 64.05 60.67 1x6g n THR 27 Cb 0.43 -1.15 -0.14 0.00 -2.10 0.00 0.00 70.33 67.38 1x6g n THR 27 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x6g s ARG 28 N -2.55 1.56 1.01 -0.78 0.52 -1.26 -4.87 118.95 112.59 1x6g s ARG 28 Ca -0.15 -2.20 -0.15 0.00 -0.52 0.00 0.00 55.73 52.70 1x6g s ARG 28 Cb 0.07 -2.82 0.20 0.00 0.52 0.00 0.00 34.95 32.93 1x6g s ARG 28 CO 0.78 -1.11 1.19 -1.25 0.02 0.00 0.00 175.30 174.93 1x6g s PRO 29 N 0.21 0.31 1.29 3.54 0.04 -1.26 -5.04 135.00 134.09 1x6g s PRO 29 Ca 0.16 -0.03 -0.18 0.00 0.04 0.00 0.00 61.00 60.99 1x6g s PRO 29 Cb -0.24 -1.77 0.32 0.00 0.04 0.00 0.00 34.50 32.85 1x6g s PRO 29 CO -0.02 -2.70 0.99 0.15 0.04 0.00 0.00 177.00 175.46 1x6g s LYS 30 N -5.50 -1.91 -0.91 4.56 1.02 -1.26 -4.83 119.74 110.91 1x6g s LYS 30 Ca 0.69 0.39 -0.24 0.00 0.02 0.00 0.00 55.97 56.82 1x6g s LYS 30 Cb -0.10 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1x6g s LYS 30 CO 0.54 -4.26 1.67 -1.25 -0.92 0.00 0.00 175.35 171.13 1x6g s PRO 31 N -4.86 3.06 0.00 -1.68 0.04 -1.26 -2.21 135.00 128.08 1x6g s PRO 31 Ca 0.69 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1x6g s PRO 31 Cb -0.18 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1x6g s PRO 31 CO 0.60 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 175.34 1x6g n GLY 32 N 6.63 1.78 3.70 0.56 0.00 -1.26 -5.13 105.19 111.47 1x6g n GLY 32 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 1x6g n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6g s GLU 33 N -0.03 2.11 0.23 1.61 2.02 -0.94 -4.82 118.70 118.87 1x6g s GLU 33 Ca 0.00 -2.10 0.02 0.00 0.02 0.00 0.00 54.97 52.91 1x6g s GLU 33 Cb 0.00 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 1x6g s GLU 33 CO 0.00 -0.18 0.39 -1.17 0.02 0.00 0.00 175.26 174.32 1x6g s LEU 34 N -3.84 4.25 0.25 1.80 2.96 -1.26 -4.78 118.68 118.05 1x6g s LEU 34 Ca 0.30 0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 1x6g s LEU 34 Cb 0.06 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1x6g s LEU 34 CO 0.16 -0.08 0.07 0.00 -1.32 0.00 0.00 176.35 175.18 1x6g s ALA 35 N -1.97 3.33 0.02 5.97 0.00 -1.26 -4.57 121.76 123.28 1x6g s ALA 35 Ca 0.36 -1.52 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 1x6g s ALA 35 Cb -0.10 -1.01 0.10 0.00 0.00 0.00 0.00 23.12 22.11 1x6g s ALA 35 CO 0.30 0.29 1.02 -0.59 0.00 0.00 0.00 175.76 176.78 1x6g s PHE 36 N -2.17 -0.20 0.47 0.00 -0.12 0.90 -5.02 117.98 111.84 1x6g s PHE 36 Ca 0.31 0.03 0.08 0.00 -0.05 0.00 0.00 56.93 57.30 1x6g s PHE 36 Cb -0.07 0.57 0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1x6g s PHE 36 CO 0.22 -0.55 0.50 1.03 -0.05 0.00 0.00 175.22 176.37 1x6g s ARG 37 N -2.97 2.50 -0.15 1.99 1.81 -1.26 0.19 118.95 121.06 1x6g s ARG 37 Ca 0.09 -1.58 -0.29 0.00 -1.72 0.00 0.00 55.73 52.23 1x6g s ARG 37 Cb -0.00 -2.46 -0.01 0.00 -0.45 0.00 0.00 34.95 32.03 1x6g s ARG 37 CO -0.04 -0.41 1.20 0.21 -0.68 0.00 0.00 175.30 175.58 1x6g s LYS 38 N -4.30 4.28 0.00 3.54 2.20 -1.24 -3.48 119.74 120.73 1x6g s LYS 38 Ca 0.50 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1x6g s LYS 38 Cb -0.05 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1x6g s LYS 38 CO 0.30 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1x6g n GLY 39 N 3.48 0.57 3.64 5.54 0.00 -1.22 -4.94 105.19 112.26 1x6g n GLY 39 Ca 0.13 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1x6g n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6g s ASP 40 N -2.36 5.15 -0.17 1.61 1.01 -1.23 -4.87 116.67 115.82 1x6g s ASP 40 Ca 0.00 0.08 -0.19 0.00 0.71 0.00 0.00 52.55 53.15 1x6g s ASP 40 Cb 0.00 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 1x6g s ASP 40 CO 0.00 0.33 0.54 -0.69 0.21 0.00 0.00 175.17 175.55 1x6g s VAL 41 N -0.58 5.11 0.04 -1.27 1.01 -1.26 -3.31 120.40 120.14 1x6g s VAL 41 Ca 0.10 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.12 1x6g s VAL 41 Cb -0.12 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1x6g s VAL 41 CO 0.02 0.22 -0.09 0.68 0.00 0.00 0.00 175.10 175.93 1x6g s VAL 42 N 1.32 0.62 -0.18 2.92 -7.23 -0.79 -3.14 120.40 113.92 1x6g s VAL 42 Ca 0.26 -0.99 -0.08 0.00 -1.81 0.00 0.00 61.98 59.36 1x6g s VAL 42 Cb -0.16 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 1x6g s VAL 42 CO 0.10 -0.28 0.08 -0.89 -0.31 0.00 0.00 175.10 173.80 1x6g s THR 43 N -1.18 4.92 -0.37 5.32 2.01 -1.15 -0.94 115.64 124.26 1x6g s THR 43 Ca -0.07 0.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.67 1x6g s THR 43 Cb -0.09 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 1x6g s THR 43 CO 0.01 0.46 2.22 -0.63 -0.69 0.00 0.00 174.62 175.98 1x6g s ILE 44 N 0.32 3.09 -0.02 1.82 -1.09 -0.61 -1.66 121.20 123.05 1x6g s ILE 44 Ca 0.04 0.08 -0.09 0.00 -2.23 0.00 0.00 60.65 58.45 1x6g s ILE 44 Cb -0.12 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 1x6g s ILE 44 CO -0.00 -0.13 0.54 -0.07 -1.23 0.00 0.00 174.94 174.05 1x6g h LEU 45 N 16.78 -0.26 -7.88 2.97 3.38 0.13 -0.58 115.31 129.84 1x6g h LEU 45 Ca -0.32 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1x6g h LEU 45 Cb 1.24 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.92 1x6g h LEU 45 CO 1.07 -0.03 -0.31 -1.61 0.09 0.00 0.00 178.44 177.65 1x6g s GLU 46 N -2.68 1.01 -0.07 1.13 2.02 -0.91 -4.77 118.70 114.44 1x6g s GLU 46 Ca -0.05 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 53.95 1x6g s GLU 46 Cb 0.00 0.37 -0.02 0.00 0.10 0.00 0.00 34.13 34.59 1x6g s GLU 46 CO 0.14 -0.35 -0.16 0.00 0.02 0.00 0.00 175.26 174.91 1x6g s ALA 47 N -3.90 2.58 0.22 5.21 0.00 -1.26 -2.61 121.76 122.00 1x6g s ALA 47 Ca 0.10 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1x6g s ALA 47 Cb 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1x6g s ALA 47 CO -0.06 0.47 -0.14 0.00 0.00 0.00 0.00 175.76 176.03 1x6g s GLU 49 N -3.11 3.64 0.00 0.00 2.12 -1.26 -4.03 118.70 116.06 1x6g s GLU 49 Ca 0.26 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1x6g s GLU 49 Cb -0.07 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.31 1x6g s GLU 49 CO 0.15 -1.48 0.00 -1.71 -0.54 0.00 0.00 175.26 171.67 1x6g n ASN 50 N 8.65 0.00 -1.72 -1.70 2.85 -1.26 -4.98 115.26 117.10 1x6g n ASN 50 Ca 0.17 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.48 1x6g n ASN 50 Cb 0.47 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.48 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1x6g n LYS 51 N 0.00 -1.24 -0.67 1.20 4.01 -1.26 -4.80 118.16 115.40 1x6g n LYS 51 Ca 0.00 0.81 -0.00 0.00 -0.51 0.00 0.00 58.31 58.60 1x6g n LYS 51 Cb 0.00 -5.16 -0.01 0.00 -0.51 0.00 0.00 35.03 29.36 1x6g n LYS 51 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1x6g n SER 52 N -0.95 -0.02 -3.56 4.39 7.64 -1.26 -4.92 113.62 114.93 1x6g n SER 52 Ca -0.18 -1.58 -0.14 0.00 1.01 0.00 0.00 58.87 57.98 1x6g n SER 52 Cb 0.62 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 1x6g n SER 52 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1x6g s TRP 53 N 0.00 -0.50 -0.15 1.43 0.52 -1.26 -3.35 118.94 115.63 1x6g s TRP 53 Ca 0.04 0.87 -0.10 0.00 0.02 0.00 0.00 56.10 56.93 1x6g s TRP 53 Cb 0.04 0.43 0.05 0.00 -1.15 0.00 0.00 33.47 32.84 1x6g s TRP 53 CO -0.02 -0.45 0.38 0.71 0.02 0.00 0.00 176.95 177.60 1x6g s TYR 54 N -1.07 -0.50 -0.45 -1.98 2.02 0.46 -4.55 117.35 111.29 1x6g s TYR 54 Ca -0.05 1.13 -0.21 0.00 -0.37 0.00 0.00 57.07 57.57 1x6g s TYR 54 Cb -0.01 0.19 0.03 0.00 -0.40 0.00 0.00 41.96 41.78 1x6g s TYR 54 CO 0.05 -0.27 0.64 0.50 -1.57 0.00 0.00 175.55 174.90 1x6g s ARG 55 N 0.90 3.26 0.45 -0.62 3.52 -1.07 0.34 118.95 125.72 1x6g s ARG 55 Ca -0.06 -0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 1x6g s ARG 55 Cb -0.06 -3.97 -0.05 0.00 -1.56 0.00 0.00 34.95 29.31 1x6g s ARG 55 CO -0.07 -1.04 0.02 0.14 -0.81 0.00 0.00 175.30 173.54 1x6g s VAL 56 N 2.81 1.49 -0.14 7.11 -7.23 -1.22 0.16 120.40 123.38 1x6g s VAL 56 Ca 0.22 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1x6g s VAL 56 Cb -0.15 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.21 1x6g s VAL 56 CO 0.18 0.00 -0.21 -0.75 -0.31 0.00 0.00 175.10 174.01 1x6g s LYS 57 N -3.80 3.06 -0.08 4.82 2.20 -0.66 -3.45 119.74 121.83 1x6g s LYS 57 Ca 0.22 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 1x6g s LYS 57 Cb 0.06 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.89 1x6g s LYS 57 CO 0.11 0.01 1.31 -1.58 -0.36 0.00 0.00 175.35 174.84 1x6g s HIS 58 N 0.77 2.89 0.00 4.03 5.65 -0.68 -2.93 115.29 125.03 1x6g s HIS 58 Ca -0.08 0.96 0.00 0.00 0.25 0.00 0.00 55.06 56.19 1x6g s HIS 58 Cb -0.16 -3.55 0.00 0.00 -1.18 0.00 0.00 32.58 27.69 1x6g s HIS 58 CO -0.01 -1.94 1.00 1.58 -0.65 0.00 0.00 174.74 174.72 1x6g n HIS 59 N 5.87 0.00 0.09 3.88 -0.00 -1.19 0.18 115.22 124.05 1x6g n HIS 59 Ca 0.13 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.21 1x6g n HIS 59 Cb 0.45 -0.50 -0.06 0.00 -0.12 0.00 0.00 29.99 29.76 1x6g n HIS 59 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 1x6g h THR 60 N 0.00 0.00 0.12 3.57 2.02 -1.92 -3.12 112.91 113.57 1x6g h THR 60 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x6g h THR 60 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1x6g h THR 60 CO 0.00 0.00 -0.27 0.28 0.37 0.00 0.00 175.52 175.90 1x6g h SER 61 N -0.49 -0.81 0.00 4.18 0.02 -1.97 -3.46 113.55 111.02 1x6g h SER 61 Ca -0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1x6g h SER 61 Cb 0.47 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1x6g h SER 61 CO -0.14 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 175.85 1x6g n GLY 62 N -1.26 0.90 3.98 -3.77 0.00 0.48 -5.02 105.19 100.50 1x6g n GLY 62 Ca -0.05 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1x6g n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x6g s GLN 63 N -0.49 2.42 -0.14 1.61 -0.21 -1.24 -4.83 119.66 116.78 1x6g s GLN 63 Ca 0.00 -1.63 -0.00 0.00 0.02 0.00 0.00 55.36 53.74 1x6g s GLN 63 Cb 0.00 -2.52 0.03 0.00 1.00 0.00 0.00 33.01 31.53 1x6g s GLN 63 CO 0.00 -0.61 -0.07 -1.21 -2.12 0.00 0.00 175.29 171.28 1x6g s GLU 64 N -4.45 1.53 0.11 2.91 2.02 -1.26 -1.68 118.70 117.88 1x6g s GLU 64 Ca 0.53 -0.40 -0.08 0.00 0.02 0.00 0.00 54.97 55.04 1x6g s GLU 64 Cb -0.05 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 1x6g s GLU 64 CO 0.33 -0.34 0.20 0.20 0.02 0.00 0.00 175.26 175.66 1x6g s GLY 65 N 1.66 0.27 0.29 -1.39 0.00 -1.22 -4.95 107.32 101.98 1x6g s GLY 65 Ca 0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 1x6g s GLY 65 CO -0.08 -0.87 1.17 1.08 0.00 0.00 0.00 173.10 174.40 1x6g s LEU 66 N -2.90 4.51 0.08 0.66 1.43 -1.26 -3.42 118.68 117.77 1x6g s LEU 66 Ca 0.10 2.40 0.10 0.00 -1.03 0.00 0.00 54.13 55.69 1x6g s LEU 66 Cb 0.05 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 1x6g s LEU 66 CO -0.07 -0.28 -0.25 -0.22 0.23 0.00 0.00 176.35 175.76 1x6g s LEU 67 N -1.51 2.30 -0.34 1.79 0.20 0.15 -4.20 118.68 117.07 1x6g s LEU 67 Ca 0.46 -0.63 -0.29 0.00 0.69 0.00 0.00 54.13 54.37 1x6g s LEU 67 Cb -0.34 -1.31 0.00 0.00 -0.43 0.00 0.00 46.19 44.11 1x6g s LEU 67 CO 0.45 0.23 1.39 0.00 -0.29 0.00 0.00 176.35 178.12 1x6g s ALA 68 N -0.93 3.20 0.58 5.97 0.00 -1.26 -0.40 121.76 128.92 1x6g s ALA 68 Ca 0.13 0.02 0.32 0.00 0.00 0.00 0.00 51.96 52.43 1x6g s ALA 68 Cb -0.10 -3.86 1.41 0.00 0.00 0.00 0.00 23.12 20.57 1x6g s ALA 68 CO 0.04 -2.08 1.74 0.00 0.00 0.00 0.00 175.76 175.46 1x6g h ALA 69 N 10.12 2.71 -0.66 0.00 0.00 -1.84 0.92 119.26 130.52 1x6g h ALA 69 Ca -0.28 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.20 1x6g h ALA 69 Cb 1.11 0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 1x6g h ALA 69 CO 1.05 -1.22 0.52 0.41 0.00 0.00 0.00 179.25 180.01 1x6g n GLY 70 N -1.65 4.29 0.92 0.00 0.00 -1.26 -3.69 105.19 103.80 1x6g n GLY 70 Ca 0.18 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 1x6g n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6g n ALA 71 N -0.29 2.89 -2.69 4.61 0.00 0.32 -5.01 120.51 120.34 1x6g n ALA 71 Ca 0.41 -0.86 -0.15 0.00 0.00 0.00 0.00 53.44 52.84 1x6g n ALA 71 Cb 0.88 -0.34 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 1x6g n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6g s LEU 72 N 0.00 2.31 0.23 0.00 1.43 -1.24 -3.00 118.68 118.42 1x6g s LEU 72 Ca 0.06 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1x6g s LEU 72 Cb 0.07 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1x6g s LEU 72 CO -0.03 -0.20 0.25 0.00 0.23 0.00 0.00 176.35 176.60 1x6g s ARG 73 N -2.04 1.37 -0.51 1.70 1.04 0.26 -4.87 118.95 115.91 1x6g s ARG 73 Ca -0.03 -1.58 -0.22 0.00 -1.04 0.00 0.00 55.73 52.86 1x6g s ARG 73 Cb -0.07 0.33 0.05 0.00 -2.04 0.00 0.00 34.95 33.21 1x6g s ARG 73 CO 0.01 -0.50 0.77 -2.00 -0.04 0.00 0.00 175.30 173.54 1x6g s GLU 74 N -4.00 3.25 0.12 3.89 2.12 -1.26 -0.33 118.70 122.49 1x6g s GLU 74 Ca 0.35 -0.51 -0.32 0.00 0.36 0.00 0.00 54.97 54.84 1x6g s GLU 74 Cb 0.04 -4.05 -0.18 0.00 0.26 0.00 0.00 34.13 30.20 1x6g s GLU 74 CO 0.13 -1.30 0.72 -2.13 -0.54 0.00 0.00 175.26 172.14 1x6g n ARG 75 N 6.77 0.00 -1.50 4.30 0.63 -1.25 -4.77 116.66 120.84 1x6g n ARG 75 Ca -0.02 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.51 1x6g n ARG 75 Cb 0.47 -1.18 0.02 0.00 0.45 0.00 0.00 32.46 32.22 1x6g n ARG 75 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1x6g n SER 76 N 1.79 -0.33 -3.26 6.15 7.64 -1.26 -4.97 113.62 119.38 1x6g n SER 76 Ca 0.19 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x6g n SER 76 Cb 0.18 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1x6g n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 77 N 1.62 -2.86 3.52 0.23 0.00 -1.26 -4.78 105.19 101.66 1x6g n GLY 77 Ca 0.11 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1x6g n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6g n PRO 78 N -0.80 2.39 -3.61 1.61 -0.04 -1.26 -4.79 135.00 128.50 1x6g n PRO 78 Ca 0.00 -2.82 -0.03 0.00 -0.04 0.00 0.00 63.50 60.61 1x6g n PRO 78 Cb 0.00 -3.57 -0.05 0.00 -0.04 0.00 0.00 33.50 29.84 1x6g n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6g s SER 79 N 5.22 -0.92 0.07 3.54 0.15 -1.26 -5.07 113.70 115.44 1x6g s SER 79 Ca 0.60 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.60 1x6g s SER 79 Cb 0.03 1.78 -0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1x6g s SER 79 CO 0.10 -0.20 -0.01 -1.20 1.20 0.00 0.00 173.24 173.13 1x6g n SER 80 N 4.79 0.99 0.00 5.45 7.64 -1.26 -5.03 113.62 126.20 1x6g n SER 80 Ca -0.15 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1x6g n SER 80 Cb 0.54 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1x6g n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64