#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 5.68 -0.83 1.61 1.04 -1.26 -4.99 113.70 114.95 1x6g s SER 2 Ca 0.00 -0.08 -0.33 0.00 0.48 0.00 0.00 55.95 56.02 1x6g s SER 2 Cb 0.00 -2.04 -0.20 0.00 0.10 0.00 0.00 66.02 63.88 1x6g s SER 2 CO 0.00 -0.03 2.54 -1.20 0.98 0.00 0.00 173.24 175.53 1x6g n SER 3 N 4.94 0.64 -2.23 7.02 7.64 -1.26 -4.79 113.62 125.57 1x6g n SER 3 Ca -0.15 0.23 -0.08 0.00 1.01 0.00 0.00 58.87 59.89 1x6g n SER 3 Cb 0.52 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1x6g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 4 N 6.66 1.84 3.38 0.23 0.00 -1.26 -5.16 105.19 110.88 1x6g n GLY 4 Ca 0.60 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1x6g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6g n SER 5 N -1.55 -2.07 0.13 1.61 7.64 -1.26 -4.93 113.62 113.19 1x6g n SER 5 Ca -0.03 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1x6g n SER 5 Cb 0.39 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1x6g n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x6g n SER 6 N -3.41 -2.30 0.00 6.43 2.88 -1.26 -5.13 113.62 110.83 1x6g n SER 6 Ca 0.02 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1x6g n SER 6 Cb 0.58 2.33 0.00 0.00 -0.75 0.00 0.00 64.21 66.36 1x6g n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6g n GLY 7 N -1.32 1.50 3.07 0.46 0.00 -1.26 -5.01 105.19 102.63 1x6g n GLY 7 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1x6g n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x6g n ARG 8 N 4.65 -1.17 -1.63 1.61 0.63 -1.26 -4.72 116.66 114.77 1x6g n ARG 8 Ca 0.00 1.33 0.00 0.00 -0.92 0.00 0.00 57.85 58.26 1x6g n ARG 8 Cb 0.00 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 30.70 1x6g n ARG 8 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1x6g n MET 9 N 1.09 -4.42 -2.45 -0.14 2.00 -1.26 -4.80 117.12 107.14 1x6g n MET 9 Ca -0.00 3.38 -0.42 0.00 0.00 0.00 0.00 57.70 60.66 1x6g n MET 9 Cb 0.37 -4.07 -0.03 0.00 0.00 0.00 0.00 33.22 29.50 1x6g n MET 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1x6g s PRO 10 N -4.79 4.39 -0.19 0.03 0.04 -1.26 -5.01 135.00 128.21 1x6g s PRO 10 Ca 0.00 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1x6g s PRO 10 Cb 0.00 -3.46 0.08 0.00 0.04 0.00 0.00 34.50 31.16 1x6g s PRO 10 CO 0.00 -0.35 0.18 -0.08 0.04 0.00 0.00 177.00 176.79 1x6g s THR 11 N 1.67 -0.26 0.27 1.26 -1.32 -1.26 -5.06 115.64 110.94 1x6g s THR 11 Ca 0.57 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 1x6g s THR 11 Cb -0.27 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1x6g s THR 11 CO 0.26 -0.22 0.00 0.54 -2.21 0.00 0.00 174.62 172.99 1x6g n ARG 12 N 5.31 -5.18 -1.45 7.08 1.74 -1.26 -4.95 116.66 117.96 1x6g n ARG 12 Ca -0.06 3.71 0.14 0.00 -0.77 0.00 0.00 57.85 60.87 1x6g n ARG 12 Cb 0.49 -4.01 -0.08 0.00 -1.02 0.00 0.00 32.46 27.85 1x6g n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1x6g n ARG 13 N 1.26 -3.34 -1.67 5.56 5.12 -1.26 -4.81 116.66 117.52 1x6g n ARG 13 Ca 0.00 2.71 -0.34 0.00 -1.93 0.00 0.00 57.85 58.29 1x6g n ARG 13 Cb 0.00 -3.79 0.06 0.00 -1.16 0.00 0.00 32.46 27.57 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x6g s TRP 14 N -4.59 2.34 0.49 -1.55 0.51 -1.26 -5.03 118.94 109.86 1x6g s TRP 14 Ca 0.00 1.57 0.07 0.00 -2.12 0.00 0.00 56.10 55.62 1x6g s TRP 14 Cb 0.00 -3.35 0.03 0.00 -0.81 0.00 0.00 33.47 29.34 1x6g s TRP 14 CO 0.00 -2.15 0.49 0.00 -0.51 0.00 0.00 176.95 174.78 1x6g s ALA 15 N -2.06 4.37 -0.22 0.98 0.00 -1.26 -4.91 121.76 118.66 1x6g s ALA 15 Ca 0.72 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 1x6g s ALA 15 Cb -0.26 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1x6g s ALA 15 CO 0.41 -0.45 1.31 -1.25 0.00 0.00 0.00 175.76 175.78 1x6g s PRO 16 N -4.32 4.07 0.00 0.00 0.04 -1.26 -2.65 135.00 130.89 1x6g s PRO 16 Ca 0.47 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1x6g s PRO 16 Cb -0.04 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1x6g s PRO 16 CO 0.29 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1x6g n GLY 17 N 3.97 1.31 3.76 0.56 0.00 0.17 -4.91 105.19 110.05 1x6g n GLY 17 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.59 -0.26 2.61 2.01 -1.09 -4.65 115.64 115.85 1x6g s THR 18 Ca 0.00 1.55 -0.20 0.00 0.31 0.00 0.00 61.69 63.35 1x6g s THR 18 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1x6g s THR 18 CO 0.00 0.34 0.62 -1.10 -0.69 0.00 0.00 174.62 173.78 1x6g s GLN 19 N -1.53 4.09 0.17 4.92 -0.21 -1.26 -2.11 119.66 123.72 1x6g s GLN 19 Ca 0.45 0.50 0.09 0.00 0.02 0.00 0.00 55.36 56.43 1x6g s GLN 19 Cb -0.30 -3.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.01 1x6g s GLN 19 CO 0.38 -0.42 -0.15 0.00 -2.12 0.00 0.00 175.29 172.98 1x6g s ILE 21 N -1.56 2.53 -0.03 0.00 -1.09 0.87 -2.51 121.20 119.42 1x6g s ILE 21 Ca 0.22 -1.45 -0.28 0.00 -2.23 0.00 0.00 60.65 56.91 1x6g s ILE 21 Cb -0.09 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 1x6g s ILE 21 CO 0.13 0.22 0.90 0.42 -1.23 0.00 0.00 174.94 175.38 1x6g s THR 22 N -0.99 4.92 0.06 2.92 -4.23 -1.20 0.18 115.64 117.31 1x6g s THR 22 Ca 0.15 1.88 0.12 0.00 -1.18 0.00 0.00 61.69 62.66 1x6g s THR 22 Cb -0.10 -4.24 -0.03 0.00 1.34 0.00 0.00 72.50 69.47 1x6g s THR 22 CO 0.06 0.18 1.47 0.11 -0.54 0.00 0.00 174.62 175.90 1x6g h LYS 23 N 6.81 0.00 -5.01 3.99 1.57 -1.86 -1.96 116.57 120.11 1x6g h LYS 23 Ca -0.40 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.87 1x6g h LYS 23 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.38 1x6g h LYS 23 CO 0.76 0.67 -0.54 0.00 -0.57 0.00 0.00 179.45 179.76 1x6g s GLU 25 N -3.75 2.89 -0.27 0.00 -1.05 -1.26 -3.49 118.70 111.76 1x6g s GLU 25 Ca 0.30 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.62 1x6g s GLU 25 Cb 0.04 -2.67 0.08 0.00 -0.44 0.00 0.00 34.13 31.14 1x6g s GLU 25 CO 0.16 0.64 -0.00 -1.58 0.95 0.00 0.00 175.26 175.43 1x6g s HIS 26 N -0.72 2.56 -0.09 4.83 2.46 0.37 -4.86 115.29 119.82 1x6g s HIS 26 Ca 0.11 -2.02 0.10 0.00 0.47 0.00 0.00 55.06 53.72 1x6g s HIS 26 Cb -0.11 -1.90 -0.24 0.00 -0.13 0.00 0.00 32.58 30.21 1x6g s HIS 26 CO 0.02 -0.83 0.46 0.25 -2.47 0.00 0.00 174.74 172.17 1x6g n THR 27 N 4.62 1.59 -3.74 0.89 -2.24 -1.25 0.49 114.28 114.65 1x6g n THR 27 Ca -0.07 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 1x6g n THR 27 Cb 0.43 -1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.57 1.26 1.05 -0.78 0.52 -1.26 -4.87 118.95 112.30 1x6g s ARG 28 Ca -0.10 -1.92 -0.17 0.00 -0.52 0.00 0.00 55.73 53.02 1x6g s ARG 28 Cb 0.07 -2.37 0.22 0.00 0.52 0.00 0.00 34.95 33.40 1x6g s ARG 28 CO 0.81 -1.13 1.21 -1.25 0.02 0.00 0.00 175.30 174.95 1x6g s PRO 29 N 0.49 -0.04 1.26 3.54 0.04 -1.26 -5.05 135.00 133.98 1x6g s PRO 29 Ca 0.16 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 60.86 1x6g s PRO 29 Cb -0.24 -1.74 0.31 0.00 0.04 0.00 0.00 34.50 32.87 1x6g s PRO 29 CO -0.03 -2.91 1.02 0.15 0.04 0.00 0.00 177.00 175.28 1x6g s LYS 30 N -5.59 -1.68 -0.91 4.56 1.02 -1.26 -4.85 119.74 111.02 1x6g s LYS 30 Ca 0.71 0.22 -0.24 0.00 0.02 0.00 0.00 55.97 56.67 1x6g s LYS 30 Cb -0.08 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 1x6g s LYS 30 CO 0.54 -4.08 1.67 -1.25 -0.92 0.00 0.00 175.35 171.32 1x6g s PRO 31 N -5.07 3.05 0.00 -1.68 0.04 -1.26 -2.26 135.00 127.82 1x6g s PRO 31 Ca 0.69 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1x6g s PRO 31 Cb -0.15 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1x6g s PRO 31 CO 0.58 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 175.32 1x6g n GLY 32 N 6.63 1.80 3.73 0.56 0.00 -1.26 -5.13 105.19 111.52 1x6g n GLY 32 Ca 0.32 0.00 -0.30 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 -0.08 2.13 0.19 1.61 2.02 -0.96 -4.72 118.70 118.89 1x6g s GLU 33 Ca 0.00 -2.22 0.04 0.00 0.02 0.00 0.00 54.97 52.81 1x6g s GLU 33 Cb 0.00 -1.66 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 1x6g s GLU 33 CO 0.00 -0.26 0.28 -1.17 0.02 0.00 0.00 175.26 174.13 1x6g s LEU 34 N -3.87 4.22 0.27 1.80 2.96 -1.26 -4.80 118.68 118.01 1x6g s LEU 34 Ca 0.21 0.06 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1x6g s LEU 34 Cb 0.04 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1x6g s LEU 34 CO 0.11 0.01 0.06 0.00 -1.32 0.00 0.00 176.35 175.21 1x6g s ALA 35 N -1.85 3.30 0.12 5.97 0.00 -1.26 -4.56 121.76 123.48 1x6g s ALA 35 Ca 0.34 -1.62 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 1x6g s ALA 35 Cb -0.10 -0.89 0.08 0.00 0.00 0.00 0.00 23.12 22.22 1x6g s ALA 35 CO 0.28 0.23 1.09 -0.59 0.00 0.00 0.00 175.76 176.77 1x6g s PHE 36 N -2.30 0.00 0.52 0.00 -0.12 0.18 -5.00 117.98 111.26 1x6g s PHE 36 Ca 0.33 -0.29 0.04 0.00 -0.05 0.00 0.00 56.93 56.95 1x6g s PHE 36 Cb -0.06 0.64 0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1x6g s PHE 36 CO 0.21 -0.71 0.20 1.03 -0.05 0.00 0.00 175.22 175.90 1x6g s ARG 37 N -2.45 2.22 -0.34 1.99 1.81 -1.26 0.14 118.95 121.06 1x6g s ARG 37 Ca 0.19 -2.17 -0.28 0.00 -1.72 0.00 0.00 55.73 51.75 1x6g s ARG 37 Cb -0.01 -1.83 0.02 0.00 -0.45 0.00 0.00 34.95 32.68 1x6g s ARG 37 CO 0.02 -0.45 1.03 0.21 -0.68 0.00 0.00 175.30 175.44 1x6g s LYS 38 N -4.06 3.99 0.00 3.54 2.20 -1.23 -3.60 119.74 120.58 1x6g s LYS 38 Ca 0.22 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1x6g s LYS 38 Cb 0.00 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1x6g s LYS 38 CO 0.13 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 1x6g n GLY 39 N 4.07 0.70 3.70 5.54 0.00 -0.74 -4.95 105.19 113.51 1x6g n GLY 39 Ca 0.11 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.96 5.34 -0.10 1.61 1.01 -1.24 -4.87 116.67 116.46 1x6g s ASP 40 Ca 0.00 0.16 -0.17 0.00 0.71 0.00 0.00 52.55 53.25 1x6g s ASP 40 Cb 0.00 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.37 1x6g s ASP 40 CO 0.00 0.37 0.45 -0.69 0.21 0.00 0.00 175.17 175.52 1x6g s VAL 41 N -0.92 5.16 0.27 -1.27 1.01 -1.26 -3.21 120.40 120.18 1x6g s VAL 41 Ca 0.14 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1x6g s VAL 41 Cb -0.11 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1x6g s VAL 41 CO 0.03 0.37 0.18 0.68 0.00 0.00 0.00 175.10 176.36 1x6g s VAL 42 N 0.35 0.14 -0.05 2.92 -7.23 -1.05 -3.29 120.40 112.19 1x6g s VAL 42 Ca 0.25 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1x6g s VAL 42 Cb -0.15 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1x6g s VAL 42 CO 0.10 0.00 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.89 1x6g s THR 43 N -3.75 1.06 -0.32 5.32 2.01 -1.11 -2.91 115.64 115.94 1x6g s THR 43 Ca 0.38 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1x6g s THR 43 Cb 0.05 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1x6g s THR 43 CO 0.18 0.33 1.71 -0.63 -0.69 0.00 0.00 174.62 175.52 1x6g s ILE 44 N 0.45 3.57 -0.12 1.82 -1.09 -0.90 -1.25 121.20 123.69 1x6g s ILE 44 Ca -0.10 0.60 -0.13 0.00 -2.23 0.00 0.00 60.65 58.80 1x6g s ILE 44 Cb -0.13 -3.73 -0.11 0.00 -1.58 0.00 0.00 42.46 36.91 1x6g s ILE 44 CO 0.02 -0.44 0.31 -0.07 -1.23 0.00 0.00 174.94 173.54 1x6g h LEU 45 N 13.06 0.00 -7.35 2.97 3.38 -1.26 0.49 115.31 126.60 1x6g h LEU 45 Ca -0.33 -0.42 -0.17 0.00 0.09 0.00 0.00 57.88 57.05 1x6g h LEU 45 Cb 1.16 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.62 1x6g h LEU 45 CO 1.03 0.73 -0.43 -1.61 0.09 0.00 0.00 178.44 178.25 1x6g s GLU 46 N -1.86 0.26 0.24 1.13 2.02 -1.12 -4.78 118.70 114.60 1x6g s GLU 46 Ca -0.09 0.55 -0.12 0.00 0.02 0.00 0.00 54.97 55.34 1x6g s GLU 46 Cb -0.01 -0.05 -0.08 0.00 0.10 0.00 0.00 34.13 34.09 1x6g s GLU 46 CO 0.30 -0.14 0.60 0.00 0.02 0.00 0.00 175.26 176.04 1x6g s ALA 47 N 1.07 3.50 0.00 5.21 0.00 -1.26 -3.37 121.76 126.90 1x6g s ALA 47 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1x6g s ALA 47 Cb -0.08 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1x6g s ALA 47 CO -0.08 0.45 0.00 0.00 0.00 0.00 0.00 175.76 176.14 1x6g n GLU 49 N 0.30 0.96 -1.04 0.00 4.71 -1.23 -4.88 120.64 119.46 1x6g n GLU 49 Ca 0.00 -2.97 0.00 0.00 -0.01 0.00 0.00 57.16 54.18 1x6g n GLU 49 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1x6g n GLU 49 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1x6g n ASN 50 N 0.41 -2.55 -1.24 1.62 2.85 -1.26 -4.46 115.26 110.64 1x6g n ASN 50 Ca 0.20 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.70 1x6g n ASN 50 Cb 0.66 -0.46 -0.02 0.00 1.24 0.00 0.00 39.78 41.20 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 -2.69 -3.17 -4.12 1.20 5.02 -1.26 -4.76 118.16 108.37 1x6g n LYS 51 Ca 0.00 2.49 -0.31 0.00 -2.02 0.00 0.00 58.31 58.47 1x6g n LYS 51 Cb 0.06 -3.19 -0.03 0.00 -0.02 0.00 0.00 35.03 31.84 1x6g n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x6g n SER 52 N -2.70 -1.58 -3.62 4.39 2.88 -1.26 -4.92 113.62 106.81 1x6g n SER 52 Ca -0.02 -1.04 -0.13 0.00 -1.33 0.00 0.00 58.87 56.36 1x6g n SER 52 Cb 0.42 -2.75 -0.07 0.00 -0.75 0.00 0.00 64.21 61.06 1x6g n SER 52 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1x6g s TRP 53 N -3.69 -0.64 -0.04 0.66 0.52 -1.26 -3.36 118.94 111.14 1x6g s TRP 53 Ca 0.35 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.96 1x6g s TRP 53 Cb -0.19 0.33 0.03 0.00 -1.15 0.00 0.00 33.47 32.49 1x6g s TRP 53 CO 0.92 -0.35 0.07 0.71 0.02 0.00 0.00 176.95 178.32 1x6g s TYR 54 N 0.06 -0.02 -0.49 -1.98 2.02 0.43 -3.54 117.35 113.83 1x6g s TYR 54 Ca -0.00 0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.75 1x6g s TYR 54 Cb -0.04 -0.25 0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1x6g s TYR 54 CO -0.00 -0.14 0.75 0.50 -1.57 0.00 0.00 175.55 175.09 1x6g s ARG 55 N 1.38 3.29 0.49 -0.62 3.52 -1.22 0.80 118.95 126.59 1x6g s ARG 55 Ca -0.06 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 1x6g s ARG 55 Cb -0.12 -4.01 -0.02 0.00 -1.56 0.00 0.00 34.95 29.24 1x6g s ARG 55 CO -0.04 -1.21 0.10 0.14 -0.81 0.00 0.00 175.30 173.48 1x6g s VAL 56 N 3.18 1.55 -0.15 7.11 -7.23 -1.17 -0.74 120.40 122.96 1x6g s VAL 56 Ca 0.25 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1x6g s VAL 56 Cb -0.14 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1x6g s VAL 56 CO 0.18 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.04 1x6g s LYS 57 N -3.93 3.15 -0.11 4.82 2.20 -0.38 -3.39 119.74 122.10 1x6g s LYS 57 Ca 0.21 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1x6g s LYS 57 Cb 0.03 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 1x6g s LYS 57 CO 0.12 0.02 1.24 -1.58 -0.36 0.00 0.00 175.35 174.79 1x6g s HIS 58 N 0.77 3.00 0.00 4.03 5.65 -0.60 -2.76 115.29 125.38 1x6g s HIS 58 Ca -0.07 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.33 1x6g s HIS 58 Cb -0.16 -3.48 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1x6g s HIS 58 CO 0.00 -1.58 0.95 0.72 -0.65 0.00 0.00 174.74 174.18 1x6g n HIS 59 N 5.90 0.00 0.08 3.88 8.25 -1.21 0.17 115.22 132.29 1x6g n HIS 59 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.48 1x6g n HIS 59 Cb 0.45 -0.49 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 1x6g n HIS 59 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1x6g h THR 60 N 0.00 0.00 0.16 1.59 2.02 -1.93 -3.08 112.91 111.68 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 -0.34 0.28 0.37 0.00 0.00 175.52 175.83 1x6g h SER 61 N -0.48 -0.98 0.00 4.18 0.02 -1.97 -3.46 113.55 110.86 1x6g h SER 61 Ca -0.01 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1x6g h SER 61 Cb 0.47 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1x6g h SER 61 CO -0.16 -0.38 0.00 0.61 -1.14 0.00 0.00 176.83 175.76 1x6g n GLY 62 N -1.33 0.94 4.02 -3.77 0.00 0.44 -5.03 105.19 100.47 1x6g n GLY 62 Ca -0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.76 2.08 -0.07 1.61 -0.21 -1.24 -4.81 119.66 116.26 1x6g s GLN 63 Ca 0.00 -1.52 -0.01 0.00 0.02 0.00 0.00 55.36 53.85 1x6g s GLN 63 Cb 0.00 -2.55 0.03 0.00 1.00 0.00 0.00 33.01 31.49 1x6g s GLN 63 CO 0.00 -1.07 0.01 -1.21 -2.12 0.00 0.00 175.29 170.90 1x6g s GLU 64 N -4.82 0.49 0.26 2.91 2.02 -1.26 -1.55 118.70 116.74 1x6g s GLU 64 Ca 0.64 0.16 -0.07 0.00 0.02 0.00 0.00 54.97 55.71 1x6g s GLU 64 Cb -0.05 -0.89 -0.01 0.00 0.10 0.00 0.00 34.13 33.28 1x6g s GLU 64 CO 0.41 -0.31 0.38 0.20 0.02 0.00 0.00 175.26 175.96 1x6g s GLY 65 N 1.99 1.05 0.24 -1.39 0.00 -1.22 -4.87 107.32 103.13 1x6g s GLY 65 Ca 0.05 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 1x6g s GLY 65 CO -0.05 -0.94 0.94 1.08 0.00 0.00 0.00 173.10 174.13 1x6g s LEU 66 N -3.12 4.65 0.02 0.66 1.43 -1.26 -3.04 118.68 118.02 1x6g s LEU 66 Ca 0.29 1.95 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 1x6g s LEU 66 Cb 0.02 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1x6g s LEU 66 CO 0.13 0.16 -0.22 -0.22 0.23 0.00 0.00 176.35 176.43 1x6g s LEU 67 N -1.18 2.12 0.11 1.79 0.20 0.24 -4.14 118.68 117.81 1x6g s LEU 67 Ca 0.41 -0.48 -0.31 0.00 0.69 0.00 0.00 54.13 54.44 1x6g s LEU 67 Cb -0.26 -1.06 -0.08 0.00 -0.43 0.00 0.00 46.19 44.36 1x6g s LEU 67 CO 0.32 0.21 1.38 0.00 -0.29 0.00 0.00 176.35 177.97 1x6g s ALA 68 N -0.69 3.58 0.32 5.97 0.00 -1.26 0.16 121.76 129.84 1x6g s ALA 68 Ca 0.08 1.10 0.32 0.00 0.00 0.00 0.00 51.96 53.47 1x6g s ALA 68 Cb -0.09 -3.53 1.53 0.00 0.00 0.00 0.00 23.12 21.03 1x6g s ALA 68 CO 0.01 -0.61 2.07 0.00 0.00 0.00 0.00 175.76 177.22 1x6g h ALA 69 N 6.83 1.10 -0.93 0.00 0.00 -1.86 -2.38 119.26 122.02 1x6g h ALA 69 Ca -0.42 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 1x6g h ALA 69 Cb 1.21 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 1x6g h ALA 69 CO 0.86 0.09 0.79 0.41 0.00 0.00 0.00 179.25 181.40 1x6g n GLY 70 N -0.40 5.47 0.93 0.00 0.00 -1.26 -3.96 105.19 105.96 1x6g n GLY 70 Ca -0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.79 3.20 -2.60 4.61 0.00 -0.89 -5.05 120.51 118.99 1x6g n ALA 71 Ca 0.58 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1x6g n ALA 71 Cb 0.77 -0.31 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 2.34 0.23 0.00 1.43 -1.25 -2.93 118.68 118.50 1x6g s LEU 72 Ca 0.03 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1x6g s LEU 72 Cb 0.04 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.83 1x6g s LEU 72 CO -0.02 -0.17 0.24 0.00 0.23 0.00 0.00 176.35 176.63 1x6g s ARG 73 N -2.28 1.36 -0.41 1.70 1.04 0.13 -4.86 118.95 115.62 1x6g s ARG 73 Ca 0.02 -1.58 -0.22 0.00 -1.04 0.00 0.00 55.73 52.91 1x6g s ARG 73 Cb -0.06 0.33 0.02 0.00 -2.04 0.00 0.00 34.95 33.19 1x6g s ARG 73 CO 0.01 -0.49 0.71 -2.00 -0.04 0.00 0.00 175.30 173.50 1x6g s GLU 74 N -4.02 3.47 0.04 3.89 2.12 -1.26 -0.09 118.70 122.85 1x6g s GLU 74 Ca 0.35 -0.10 -0.10 0.00 0.36 0.00 0.00 54.97 55.48 1x6g s GLU 74 Cb 0.05 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1x6g s GLU 74 CO 0.13 -0.97 1.17 -0.09 -0.54 0.00 0.00 175.26 174.96 1x6g h ARG 75 N 8.77 -0.14 -5.41 4.30 2.43 -1.89 -3.34 114.38 119.10 1x6g h ARG 75 Ca -0.25 0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.60 1x6g h ARG 75 Cb 1.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1x6g h ARG 75 CO 0.91 -0.09 1.22 0.45 -1.51 0.00 0.00 179.97 180.95 1x6g n SER 76 N -3.49 1.66 -4.92 -3.80 2.88 -1.26 -4.91 113.62 99.77 1x6g n SER 76 Ca -0.01 -0.71 -0.26 0.00 -1.33 0.00 0.00 58.87 56.56 1x6g n SER 76 Cb 0.11 -1.45 -0.02 0.00 -0.75 0.00 0.00 64.21 62.10 1x6g n SER 76 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6g s GLY 77 N 10.65 1.58 1.00 0.46 0.00 -1.26 -5.10 107.32 114.65 1x6g s GLY 77 Ca 1.04 -0.72 -0.15 0.00 0.00 0.00 0.00 44.72 44.89 1x6g s GLY 77 CO 0.26 -0.63 1.18 2.56 0.00 0.00 0.00 173.10 176.47 1x6g s PRO 78 N -4.02 0.41 -0.25 2.90 0.04 -1.26 -4.60 135.00 128.22 1x6g s PRO 78 Ca 0.42 0.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.35 1x6g s PRO 78 Cb -0.10 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1x6g s PRO 78 CO 0.34 -2.64 0.27 0.45 0.04 0.00 0.00 177.00 175.46 1x6g n SER 79 N -4.02 -6.83 -3.62 6.66 2.88 -1.26 -5.00 113.62 102.42 1x6g n SER 79 Ca 0.11 0.51 -0.21 0.00 -1.33 0.00 0.00 58.87 57.94 1x6g n SER 79 Cb 0.59 -3.02 -0.16 0.00 -0.75 0.00 0.00 64.21 60.86 1x6g n SER 79 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x6g s SER 80 N -1.51 1.56 0.00 -3.46 0.15 -1.26 -5.27 113.70 103.90 1x6g s SER 80 Ca 0.14 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1x6g s SER 80 Cb -0.02 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1x6g s SER 80 CO 0.52 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.27