#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 -0.53 0.21 1.61 0.01 -1.26 -5.16 113.70 108.57 1x6g s SER 2 Ca 0.00 0.92 0.10 0.00 1.31 0.00 0.00 55.95 58.28 1x6g s SER 2 Cb 0.00 0.80 -0.04 0.00 0.21 0.00 0.00 66.02 66.99 1x6g s SER 2 CO 0.00 -0.19 -0.13 -0.55 0.41 0.00 0.00 173.24 172.78 1x6g s SER 3 N 1.34 4.02 -0.69 2.44 0.15 -1.26 -5.08 113.70 114.62 1x6g s SER 3 Ca -0.09 -0.71 -0.24 0.00 0.70 0.00 0.00 55.95 55.61 1x6g s SER 3 Cb -0.08 -0.57 0.06 0.00 -1.71 0.00 0.00 66.02 63.72 1x6g s SER 3 CO -0.12 0.09 1.06 -0.83 1.20 0.00 0.00 173.24 174.63 1x6g s GLY 4 N -2.99 1.25 -0.31 9.45 0.00 -1.26 -4.97 107.32 108.49 1x6g s GLY 4 Ca 0.25 -1.74 0.02 0.00 0.00 0.00 0.00 44.72 43.25 1x6g s GLY 4 CO 0.15 2.23 0.03 -0.45 0.00 0.00 0.00 173.10 175.06 1x6g s SER 5 N 3.72 4.42 -0.11 1.64 0.15 -1.26 -4.97 113.70 117.29 1x6g s SER 5 Ca 0.26 -1.82 -0.10 0.00 0.70 0.00 0.00 55.95 55.00 1x6g s SER 5 Cb -0.14 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1x6g s SER 5 CO 0.11 -0.35 -0.19 -1.20 1.20 0.00 0.00 173.24 172.81 1x6g n SER 6 N 4.48 1.20 0.00 5.45 7.64 -1.26 -5.08 113.62 126.05 1x6g n SER 6 Ca -0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1x6g n SER 6 Cb 0.42 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1x6g n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 7 N 1.53 0.16 3.02 0.23 0.00 -1.26 -5.16 105.19 103.72 1x6g n GLY 7 Ca -0.08 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 1x6g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x6g s ARG 8 N 0.30 0.51 0.02 1.61 6.06 -1.26 -5.16 118.95 121.03 1x6g s ARG 8 Ca 0.00 -0.52 -0.03 0.00 -2.50 0.00 0.00 55.73 52.68 1x6g s ARG 8 Cb 0.00 -0.37 -0.01 0.00 0.06 0.00 0.00 34.95 34.62 1x6g s ARG 8 CO 0.00 0.09 0.04 -1.64 -2.50 0.00 0.00 175.30 171.29 1x6g s MET 9 N -0.95 0.43 0.85 5.12 -1.94 -1.26 -5.16 119.30 116.39 1x6g s MET 9 Ca -0.04 -0.62 -0.12 0.00 -1.71 0.00 0.00 55.69 53.20 1x6g s MET 9 Cb -0.07 0.16 0.10 0.00 2.01 0.00 0.00 34.83 37.04 1x6g s MET 9 CO 0.00 -0.09 1.12 -1.25 -0.01 0.00 0.00 175.02 174.79 1x6g s PRO 10 N -1.82 1.64 0.03 2.03 0.04 -1.26 -5.08 135.00 130.58 1x6g s PRO 10 Ca -0.12 0.47 0.04 0.00 0.04 0.00 0.00 61.00 61.43 1x6g s PRO 10 Cb -0.07 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1x6g s PRO 10 CO -0.02 -1.89 -0.11 -0.08 0.04 0.00 0.00 177.00 174.94 1x6g s THR 11 N -3.22 0.89 0.28 1.26 -1.32 -1.26 -5.03 115.64 107.25 1x6g s THR 11 Ca 0.62 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 1x6g s THR 11 Cb -0.15 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1x6g s THR 11 CO 0.54 -0.05 0.00 -1.14 -2.21 0.00 0.00 174.62 171.76 1x6g n ARG 12 N 1.99 0.00 -1.45 7.08 0.63 -1.26 -5.13 116.66 118.53 1x6g n ARG 12 Ca -0.18 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.46 1x6g n ARG 12 Cb 0.55 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.64 1x6g n ARG 12 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x6g s ARG 13 N -2.00 0.35 0.57 -0.14 1.81 -1.26 -5.03 118.95 113.25 1x6g s ARG 13 Ca 0.00 0.09 -0.15 0.00 -1.72 0.00 0.00 55.73 53.95 1x6g s ARG 13 Cb 0.00 -1.77 -0.05 0.00 -0.45 0.00 0.00 34.95 32.68 1x6g s ARG 13 CO 0.00 -2.69 1.02 -1.58 -0.68 0.00 0.00 175.30 171.37 1x6g s TRP 14 N -3.28 3.27 0.47 -0.53 0.51 -1.26 -5.07 118.94 113.05 1x6g s TRP 14 Ca 0.68 1.46 0.07 0.00 -2.12 0.00 0.00 56.10 56.19 1x6g s TRP 14 Cb -0.12 -2.87 0.01 0.00 -0.81 0.00 0.00 33.47 29.68 1x6g s TRP 14 CO 0.54 -0.74 0.43 0.00 -0.51 0.00 0.00 176.95 176.68 1x6g s ALA 15 N -2.64 4.24 -0.24 0.98 0.00 -1.26 -4.95 121.76 117.88 1x6g s ALA 15 Ca 0.60 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 1x6g s ALA 15 Cb -0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1x6g s ALA 15 CO 0.37 -0.36 1.32 -1.25 0.00 0.00 0.00 175.76 175.84 1x6g s PRO 16 N -4.23 4.01 0.00 0.00 0.04 -1.26 -2.79 135.00 130.77 1x6g s PRO 16 Ca 0.46 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1x6g s PRO 16 Cb -0.03 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1x6g s PRO 16 CO 0.27 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1x6g n GLY 17 N 4.11 1.09 3.76 0.56 0.00 -0.57 -4.94 105.19 109.20 1x6g n GLY 17 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.93 4.93 -0.28 2.61 2.01 -1.12 -4.77 115.64 117.09 1x6g s THR 18 Ca 0.00 1.22 -0.26 0.00 0.31 0.00 0.00 61.69 62.95 1x6g s THR 18 Cb 0.00 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1x6g s THR 18 CO 0.00 0.42 0.93 -1.10 -0.69 0.00 0.00 174.62 174.18 1x6g s GLN 19 N -0.17 4.10 0.16 4.92 -0.21 -1.26 -2.46 119.66 124.74 1x6g s GLN 19 Ca 0.31 0.96 0.07 0.00 0.02 0.00 0.00 55.36 56.72 1x6g s GLN 19 Cb -0.18 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.09 1x6g s GLN 19 CO 0.17 -0.70 -0.02 0.00 -2.12 0.00 0.00 175.29 172.62 1x6g s ILE 21 N -1.66 2.69 0.26 0.00 -1.09 0.24 -2.27 121.20 119.37 1x6g s ILE 21 Ca 0.27 -1.64 -0.25 0.00 -2.23 0.00 0.00 60.65 56.79 1x6g s ILE 21 Cb -0.09 -2.24 -0.09 0.00 -1.58 0.00 0.00 42.46 38.45 1x6g s ILE 21 CO 0.18 0.05 0.87 0.42 -1.23 0.00 0.00 174.94 175.22 1x6g s THR 22 N -1.25 4.30 0.06 2.92 -4.23 -1.20 0.41 115.64 116.64 1x6g s THR 22 Ca 0.18 1.72 0.01 0.00 -1.18 0.00 0.00 61.69 62.42 1x6g s THR 22 Cb -0.10 -4.05 -0.26 0.00 1.34 0.00 0.00 72.50 69.44 1x6g s THR 22 CO 0.10 0.27 1.06 0.11 -0.54 0.00 0.00 174.62 175.62 1x6g h LYS 23 N 3.56 0.17 -4.91 3.99 1.57 -1.67 -3.12 116.57 116.16 1x6g h LYS 23 Ca -0.47 -0.29 -0.47 0.00 -1.87 0.00 0.00 60.65 57.56 1x6g h LYS 23 Cb 1.20 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.48 1x6g h LYS 23 CO 0.66 1.07 -0.52 0.00 -0.57 0.00 0.00 179.45 180.08 1x6g s GLU 25 N -3.64 3.51 -0.27 0.00 -1.05 -1.26 -3.64 118.70 112.34 1x6g s GLU 25 Ca 0.35 -0.19 0.01 0.00 -0.15 0.00 0.00 54.97 54.99 1x6g s GLU 25 Cb 0.03 -3.17 0.08 0.00 -0.44 0.00 0.00 34.13 30.63 1x6g s GLU 25 CO 0.21 0.68 -0.00 -1.58 0.95 0.00 0.00 175.26 175.52 1x6g s HIS 26 N -0.75 2.57 -0.12 4.83 2.46 0.49 -4.85 115.29 119.93 1x6g s HIS 26 Ca 0.13 -2.03 0.17 0.00 0.47 0.00 0.00 55.06 53.80 1x6g s HIS 26 Cb -0.12 -1.90 -0.20 0.00 -0.13 0.00 0.00 32.58 30.23 1x6g s HIS 26 CO 0.03 -0.83 0.60 0.25 -2.47 0.00 0.00 174.74 172.31 1x6g n THR 27 N 4.61 1.14 -3.63 0.89 -2.24 -1.25 -0.41 114.28 113.40 1x6g n THR 27 Ca -0.07 -0.72 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 1x6g n THR 27 Cb 0.43 -0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.86 0.95 1.02 -0.78 1.81 -1.26 -4.90 118.95 112.93 1x6g s ARG 28 Ca -0.05 -1.64 -0.16 0.00 -1.72 0.00 0.00 55.73 52.16 1x6g s ARG 28 Cb 0.09 -1.93 0.20 0.00 -0.45 0.00 0.00 34.95 32.86 1x6g s ARG 28 CO 0.83 -1.15 1.19 -1.25 -0.68 0.00 0.00 175.30 174.23 1x6g s PRO 29 N 0.77 0.24 1.30 3.54 0.04 -1.26 -5.04 135.00 134.60 1x6g s PRO 29 Ca 0.17 -0.04 -0.19 0.00 0.04 0.00 0.00 61.00 60.97 1x6g s PRO 29 Cb -0.23 -1.77 0.33 0.00 0.04 0.00 0.00 34.50 32.87 1x6g s PRO 29 CO -0.03 -2.74 0.99 0.15 0.04 0.00 0.00 177.00 175.41 1x6g s LYS 30 N -5.51 -2.01 -0.89 4.56 1.02 -1.26 -4.83 119.74 110.81 1x6g s LYS 30 Ca 0.69 0.29 -0.24 0.00 0.02 0.00 0.00 55.97 56.72 1x6g s LYS 30 Cb -0.10 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1x6g s LYS 30 CO 0.54 -4.30 1.66 -1.25 -0.92 0.00 0.00 175.35 171.08 1x6g s PRO 31 N -4.97 3.04 0.00 -1.68 0.04 -1.26 -2.27 135.00 127.91 1x6g s PRO 31 Ca 0.69 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1x6g s PRO 31 Cb -0.16 -4.99 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1x6g s PRO 31 CO 0.59 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 175.35 1x6g n GLY 32 N 6.55 1.81 3.64 0.56 0.00 -1.26 -5.13 105.19 111.35 1x6g n GLY 32 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.09 1.99 0.24 1.61 2.02 -0.96 -4.74 118.70 118.77 1x6g s GLU 33 Ca 0.00 -2.10 -0.00 0.00 0.02 0.00 0.00 54.97 52.89 1x6g s GLU 33 Cb 0.00 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 1x6g s GLU 33 CO 0.00 -0.07 0.44 -1.17 0.02 0.00 0.00 175.26 174.48 1x6g s LEU 34 N -3.74 4.17 0.14 1.80 2.96 -1.26 -4.78 118.68 117.98 1x6g s LEU 34 Ca 0.34 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 54.73 1x6g s LEU 34 Cb 0.09 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 1x6g s LEU 34 CO 0.18 -0.11 0.04 0.00 -1.32 0.00 0.00 176.35 175.14 1x6g s ALA 35 N -1.99 3.35 0.16 5.97 0.00 -1.26 -4.57 121.76 123.42 1x6g s ALA 35 Ca 0.39 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1x6g s ALA 35 Cb -0.10 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.90 1x6g s ALA 35 CO 0.30 0.57 0.85 -0.59 0.00 0.00 0.00 175.76 176.89 1x6g s PHE 36 N -1.58 -0.23 0.51 0.00 -0.71 0.46 -5.03 117.98 111.39 1x6g s PHE 36 Ca 0.28 -0.07 0.07 0.00 -1.04 0.00 0.00 56.93 56.17 1x6g s PHE 36 Cb -0.10 0.63 0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1x6g s PHE 36 CO 0.20 -0.88 0.46 1.03 -1.34 0.00 0.00 175.22 174.69 1x6g s ARG 37 N -3.47 2.35 -0.10 1.99 1.81 -1.26 0.19 118.95 120.46 1x6g s ARG 37 Ca 0.09 -1.79 -0.30 0.00 -1.72 0.00 0.00 55.73 52.01 1x6g s ARG 37 Cb -0.02 -2.29 -0.02 0.00 -0.45 0.00 0.00 34.95 32.17 1x6g s ARG 37 CO -0.00 -0.52 1.16 0.21 -0.68 0.00 0.00 175.30 175.47 1x6g s LYS 38 N -4.30 4.34 0.00 3.54 2.20 -1.24 -3.43 119.74 120.85 1x6g s LYS 38 Ca 0.44 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 1x6g s LYS 38 Cb -0.03 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1x6g s LYS 38 CO 0.27 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1x6g n GLY 39 N 3.35 0.70 3.79 5.54 0.00 -1.18 -4.94 105.19 112.45 1x6g n GLY 39 Ca 0.11 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.71 5.79 -0.17 1.61 1.01 -1.22 -4.87 116.67 116.11 1x6g s ASP 40 Ca 0.00 0.25 -0.15 0.00 0.71 0.00 0.00 52.55 53.36 1x6g s ASP 40 Cb 0.00 -1.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 1x6g s ASP 40 CO 0.00 0.34 0.37 -0.69 0.21 0.00 0.00 175.17 175.40 1x6g s VAL 41 N -1.06 5.24 0.04 -1.27 1.01 -1.26 -3.26 120.40 119.84 1x6g s VAL 41 Ca 0.18 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.86 1x6g s VAL 41 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1x6g s VAL 41 CO 0.08 0.33 -0.05 0.68 0.00 0.00 0.00 175.10 176.14 1x6g s VAL 42 N 0.81 0.34 -0.16 2.92 -7.23 -0.96 -3.39 120.40 112.73 1x6g s VAL 42 Ca 0.19 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1x6g s VAL 42 Cb -0.14 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1x6g s VAL 42 CO 0.07 -0.62 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.32 1x6g s THR 43 N -2.27 3.99 -0.50 5.32 2.01 -1.05 -1.59 115.64 121.56 1x6g s THR 43 Ca -0.05 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 61.36 1x6g s THR 43 Cb -0.04 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1x6g s THR 43 CO -0.03 0.48 2.22 -0.63 -0.69 0.00 0.00 174.62 175.97 1x6g s ILE 44 N 0.43 3.12 0.02 1.82 -1.09 -1.03 -1.20 121.20 123.28 1x6g s ILE 44 Ca -0.03 0.08 -0.25 0.00 -2.23 0.00 0.00 60.65 58.22 1x6g s ILE 44 Cb -0.14 -3.30 -0.18 0.00 -1.58 0.00 0.00 42.46 37.26 1x6g s ILE 44 CO 0.03 -0.28 1.46 -0.07 -1.23 0.00 0.00 174.94 174.84 1x6g h LEU 45 N 18.24 -0.01 0.00 2.97 3.38 -0.50 -1.51 115.31 137.87 1x6g h LEU 45 Ca -0.26 -0.28 -0.41 0.00 0.09 0.00 0.00 57.88 57.02 1x6g h LEU 45 Cb 1.23 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.88 1x6g h LEU 45 CO 1.16 0.28 -0.37 -0.62 0.09 0.00 0.00 178.44 178.98 1x6g n GLU 46 N -4.96 0.46 -3.29 1.13 1.02 -1.08 -4.85 120.64 109.07 1x6g n GLU 46 Ca -0.08 -3.06 -0.35 0.00 -0.02 0.00 0.00 57.16 53.65 1x6g n GLU 46 Cb 0.16 2.61 -0.06 0.00 -0.02 0.00 0.00 31.44 34.14 1x6g n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x6g s ALA 47 N -3.15 3.53 0.49 0.62 0.00 -1.26 -4.21 121.76 117.78 1x6g s ALA 47 Ca 0.36 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 1x6g s ALA 47 Cb 0.01 -2.60 -0.12 0.00 0.00 0.00 0.00 23.12 20.41 1x6g s ALA 47 CO 0.25 0.42 0.29 0.00 0.00 0.00 0.00 175.76 176.73 1x6g n GLU 49 N 0.72 0.41 -0.45 0.00 4.07 -1.21 -4.93 120.64 119.24 1x6g n GLU 49 Ca 0.10 -0.69 0.00 0.00 -0.06 0.00 0.00 57.16 56.51 1x6g n GLU 49 Cb 0.44 0.39 0.00 0.00 -0.06 0.00 0.00 31.44 32.22 1x6g n GLU 49 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1x6g n ASN 50 N -0.46 0.00 -2.33 4.31 3.02 -1.26 -5.07 115.26 113.47 1x6g n ASN 50 Ca -0.15 -1.70 -0.02 0.00 -0.03 0.00 0.00 54.58 52.69 1x6g n ASN 50 Cb 0.63 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.65 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x6g n LYS 51 N 0.00 -2.82 -3.01 3.52 4.76 -1.26 -4.59 118.16 114.77 1x6g n LYS 51 Ca 0.00 2.33 -0.12 0.00 -2.87 0.00 0.00 58.31 57.65 1x6g n LYS 51 Cb 0.64 -4.03 0.06 0.00 -1.84 0.00 0.00 35.03 29.85 1x6g n LYS 51 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x6g n SER 52 N 0.79 -6.08 -3.64 4.39 7.64 -1.26 -5.00 113.62 110.45 1x6g n SER 52 Ca -0.12 -0.59 -0.06 0.00 1.01 0.00 0.00 58.87 59.11 1x6g n SER 52 Cb 0.19 -4.59 -0.07 0.00 -1.01 0.00 0.00 64.21 58.73 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 -3.32 -0.77 0.10 1.43 0.52 -1.26 -3.44 118.94 112.20 1x6g s TRP 53 Ca 0.38 1.59 0.09 0.00 0.02 0.00 0.00 56.10 58.18 1x6g s TRP 53 Cb -0.05 0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 32.69 1x6g s TRP 53 CO 0.64 -0.38 -0.24 0.71 0.02 0.00 0.00 176.95 177.70 1x6g s TYR 54 N 1.27 2.05 -0.36 -1.98 2.02 0.16 -3.36 117.35 117.15 1x6g s TYR 54 Ca -0.07 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 1x6g s TYR 54 Cb -0.04 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.40 1x6g s TYR 54 CO -0.15 0.24 0.19 0.50 -1.57 0.00 0.00 175.55 174.76 1x6g s ARG 55 N -1.83 2.88 0.48 -0.62 3.52 -1.26 0.19 118.95 122.30 1x6g s ARG 55 Ca 0.10 -1.04 0.03 0.00 -0.13 0.00 0.00 55.73 54.69 1x6g s ARG 55 Cb -0.10 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 1x6g s ARG 55 CO 0.04 -0.65 0.01 0.14 -0.81 0.00 0.00 175.30 174.03 1x6g s VAL 56 N 1.54 1.46 -0.11 7.11 -7.23 -1.14 0.25 120.40 122.28 1x6g s VAL 56 Ca 0.02 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1x6g s VAL 56 Cb -0.19 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.32 1x6g s VAL 56 CO 0.06 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.93 1x6g s LYS 57 N -3.83 2.45 -0.16 4.82 2.20 -0.34 -3.31 119.74 121.57 1x6g s LYS 57 Ca 0.16 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 1x6g s LYS 57 Cb 0.04 -2.01 -0.01 0.00 -1.51 0.00 0.00 37.83 34.34 1x6g s LYS 57 CO 0.08 -0.01 1.24 -1.58 -0.36 0.00 0.00 175.35 174.72 1x6g s HIS 58 N 0.84 2.92 0.00 4.03 5.65 -0.96 -2.52 115.29 125.25 1x6g s HIS 58 Ca -0.09 1.06 -0.02 0.00 0.25 0.00 0.00 55.06 56.27 1x6g s HIS 58 Cb -0.16 -3.48 -0.01 0.00 -1.18 0.00 0.00 32.58 27.76 1x6g s HIS 58 CO 0.00 -1.57 0.98 1.25 -0.65 0.00 0.00 174.74 174.75 1x6g h HIS 59 N 8.06 -0.05 -0.35 3.88 2.76 -1.90 1.38 115.15 128.93 1x6g h HIS 59 Ca -0.27 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 57.94 1x6g h HIS 59 Cb 1.11 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 30.01 1x6g h HIS 59 CO 0.79 -0.03 -0.49 1.15 -1.30 0.00 0.00 177.93 178.04 1x6g h THR 60 N -0.06 0.00 0.00 6.26 2.02 -1.92 -3.14 112.91 116.06 1x6g h THR 60 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1x6g h THR 60 Cb 0.05 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1x6g h THR 60 CO 0.01 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.70 1x6g n SER 61 N -5.04 0.00 0.00 4.18 7.64 -1.24 -4.96 113.62 114.20 1x6g n SER 61 Ca -0.03 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1x6g n SER 61 Cb 0.30 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1x6g n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 62 N -0.79 1.40 3.78 0.23 0.00 0.47 -5.03 105.19 105.25 1x6g n GLY 62 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1x6g n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x6g n GLN 63 N -0.83 0.17 -3.67 1.61 6.02 -1.24 -4.84 117.38 114.60 1x6g n GLN 63 Ca 0.00 -2.79 -0.23 0.00 -0.01 0.00 0.00 57.00 53.97 1x6g n GLN 63 Cb 0.00 -0.49 -0.17 0.00 1.02 0.00 0.00 30.24 30.59 1x6g n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1x6g s GLU 64 N -4.85 0.17 0.27 -1.09 2.02 -1.26 -2.26 118.70 111.69 1x6g s GLU 64 Ca 0.62 0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.69 1x6g s GLU 64 Cb -0.04 -1.23 -0.02 0.00 0.10 0.00 0.00 34.13 32.93 1x6g s GLU 64 CO 0.41 -0.48 0.29 0.20 0.02 0.00 0.00 175.26 175.70 1x6g s GLY 65 N 2.09 1.56 0.49 -1.39 0.00 -1.21 -4.90 107.32 103.95 1x6g s GLY 65 Ca 0.03 -1.64 -0.14 0.00 0.00 0.00 0.00 44.72 42.97 1x6g s GLY 65 CO -0.06 -1.22 0.91 1.08 0.00 0.00 0.00 173.10 173.81 1x6g s LEU 66 N -3.21 3.66 0.03 0.66 1.43 -1.26 -2.87 118.68 117.11 1x6g s LEU 66 Ca 0.35 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.86 1x6g s LEU 66 Cb 0.03 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1x6g s LEU 66 CO 0.18 -0.55 -0.06 -0.22 0.23 0.00 0.00 176.35 175.92 1x6g s LEU 67 N -4.12 2.20 -0.13 1.79 0.20 0.49 -4.07 118.68 115.05 1x6g s LEU 67 Ca 0.56 -0.44 -0.29 0.00 0.69 0.00 0.00 54.13 54.64 1x6g s LEU 67 Cb -0.10 -0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.49 1x6g s LEU 67 CO 0.34 -0.17 1.55 0.00 -0.29 0.00 0.00 176.35 177.78 1x6g s ALA 68 N -1.11 3.53 0.64 5.97 0.00 -1.26 0.37 121.76 129.89 1x6g s ALA 68 Ca -0.09 0.69 0.34 0.00 0.00 0.00 0.00 51.96 52.91 1x6g s ALA 68 Cb -0.08 -3.75 1.91 0.00 0.00 0.00 0.00 23.12 21.21 1x6g s ALA 68 CO 0.00 -1.50 2.15 0.00 0.00 0.00 0.00 175.76 176.41 1x6g h ALA 69 N 9.56 1.40 -0.92 0.00 0.00 -1.88 0.31 119.26 127.74 1x6g h ALA 69 Ca -0.35 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.06 1x6g h ALA 69 Cb 1.15 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 1x6g h ALA 69 CO 0.97 -0.20 0.57 0.41 0.00 0.00 0.00 179.25 181.00 1x6g n GLY 70 N -1.24 4.76 0.42 0.00 0.00 -1.26 -4.03 105.19 103.84 1x6g n GLY 70 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.11 1.83 -2.49 4.61 0.00 0.11 -5.02 120.51 118.45 1x6g n ALA 71 Ca 0.57 -0.70 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1x6g n ALA 71 Cb 1.45 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 20.46 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 0.22 0.00 1.43 -1.21 -1.73 118.68 119.70 1x6g s LEU 72 Ca 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1x6g s LEU 72 Cb 0.00 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1x6g s LEU 72 CO 0.00 0.09 0.14 0.00 0.23 0.00 0.00 176.35 176.82 1x6g s ARG 73 N -2.01 1.28 -0.46 1.70 1.04 0.16 -4.88 118.95 115.79 1x6g s ARG 73 Ca 0.09 -1.69 -0.21 0.00 -1.04 0.00 0.00 55.73 52.89 1x6g s ARG 73 Cb -0.10 0.24 0.03 0.00 -2.04 0.00 0.00 34.95 33.08 1x6g s ARG 73 CO 0.05 -0.41 0.70 -2.00 -0.04 0.00 0.00 175.30 173.60 1x6g s GLU 74 N -4.07 3.30 -0.57 3.89 2.12 -1.26 -0.59 118.70 121.52 1x6g s GLU 74 Ca 0.39 -0.35 -0.39 0.00 0.36 0.00 0.00 54.97 54.98 1x6g s GLU 74 Cb 0.07 -3.97 -0.18 0.00 0.26 0.00 0.00 34.13 30.30 1x6g s GLU 74 CO 0.14 -1.10 2.27 -2.13 -0.54 0.00 0.00 175.26 173.89 1x6g n ARG 75 N 6.48 0.24 -2.74 4.30 0.63 -1.25 -4.78 116.66 119.53 1x6g n ARG 75 Ca -0.01 0.05 -0.02 0.00 -0.92 0.00 0.00 57.85 56.96 1x6g n ARG 75 Cb 0.48 -1.74 0.02 0.00 0.45 0.00 0.00 32.46 31.67 1x6g n ARG 75 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x6g s SER 76 N 7.03 -0.60 0.23 6.15 0.15 -1.26 -5.07 113.70 120.33 1x6g s SER 76 Ca 1.20 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 57.30 1x6g s SER 76 Cb -1.29 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 1x6g s SER 76 CO 0.58 -0.03 0.27 -0.83 1.20 0.00 0.00 173.24 174.43 1x6g s GLY 77 N 1.20 1.38 -1.05 9.45 0.00 -1.26 -4.99 107.32 112.05 1x6g s GLY 77 Ca 0.23 -1.28 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 1x6g s GLY 77 CO -0.10 -1.31 2.53 -1.55 0.00 0.00 0.00 173.10 172.68 1x6g n PRO 78 N -1.14 2.61 -3.63 2.90 -0.04 -1.26 -4.75 135.00 129.70 1x6g n PRO 78 Ca -0.08 -1.63 -0.15 0.00 -0.04 0.00 0.00 63.50 61.59 1x6g n PRO 78 Cb 0.57 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 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 2.78 -0.42 0.23 3.54 0.15 -1.26 -5.10 113.70 113.61 1x6g s SER 79 Ca 0.52 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1x6g s SER 79 Cb 0.15 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1x6g s SER 79 CO -0.04 -0.58 0.00 -1.20 1.20 0.00 0.00 173.24 172.62 1x6g n SER 80 N 0.91 -7.46 0.00 5.45 7.64 -1.26 -5.12 113.62 113.78 1x6g n SER 80 Ca -0.20 1.03 0.03 0.00 1.01 0.00 0.00 58.87 60.74 1x6g n SER 80 Cb 0.57 -3.81 0.19 0.00 -1.01 0.00 0.00 64.21 60.15 1x6g n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64