#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 -0.11 0.89 1.61 1.04 -1.26 -5.16 113.70 110.71 1x6g s SER 2 Ca 0.00 -0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.28 1x6g s SER 2 Cb 0.00 0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.34 1x6g s SER 2 CO 0.00 -0.23 0.85 -0.24 0.98 0.00 0.00 173.24 174.61 1x6g n SER 3 N -0.16 -0.48 -0.06 7.02 2.88 -1.26 -5.03 113.62 116.52 1x6g n SER 3 Ca -0.01 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1x6g n SER 3 Cb 0.59 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1x6g n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6g n GLY 4 N 0.86 6.80 2.89 0.46 0.00 -1.26 -5.11 105.19 109.83 1x6g n GLY 4 Ca 0.10 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1x6g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6g s SER 5 N 0.92 4.16 -0.85 1.61 0.01 -1.26 -5.01 113.70 113.28 1x6g s SER 5 Ca 0.00 -2.93 0.00 0.00 1.31 0.00 0.00 55.95 54.33 1x6g s SER 5 Cb 0.00 -1.49 0.21 0.00 0.21 0.00 0.00 66.02 64.95 1x6g s SER 5 CO 0.00 -0.24 0.74 -1.54 0.41 0.00 0.00 173.24 172.61 1x6g n SER 6 N 3.20 3.99 -3.99 2.44 3.41 -1.26 -5.03 113.62 116.38 1x6g n SER 6 Ca 0.06 -3.18 -0.16 0.00 -0.26 0.00 0.00 58.87 55.32 1x6g n SER 6 Cb 0.33 -0.97 -0.14 0.00 -0.26 0.00 0.00 64.21 63.16 1x6g n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x6g s GLY 7 N -0.65 0.33 -0.31 5.00 0.00 -1.26 -5.12 107.32 105.31 1x6g s GLY 7 Ca 0.28 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1x6g s GLY 7 CO -0.12 -0.27 -0.00 -1.60 0.00 0.00 0.00 173.10 171.10 1x6g s ARG 8 N -0.25 2.05 0.05 2.90 3.52 -1.26 -5.09 118.95 120.87 1x6g s ARG 8 Ca 0.02 -1.53 0.04 0.00 -0.13 0.00 0.00 55.73 54.12 1x6g s ARG 8 Cb -0.03 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1x6g s ARG 8 CO -0.00 -0.74 -0.11 -1.64 -0.81 0.00 0.00 175.30 172.00 1x6g s MET 9 N 1.09 0.67 0.44 5.12 -1.94 -1.26 -5.14 119.30 118.27 1x6g s MET 9 Ca -0.01 -0.82 -0.22 0.00 -1.71 0.00 0.00 55.69 52.93 1x6g s MET 9 Cb -0.20 -0.56 -0.09 0.00 2.01 0.00 0.00 34.83 35.99 1x6g s MET 9 CO -0.05 0.12 1.05 -1.25 -0.01 0.00 0.00 175.02 174.88 1x6g s PRO 10 N -1.56 4.00 -0.13 2.03 0.04 -1.26 -5.00 135.00 133.12 1x6g s PRO 10 Ca -0.05 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1x6g s PRO 10 Cb -0.10 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1x6g s PRO 10 CO 0.01 -0.27 1.05 -0.08 0.04 0.00 0.00 177.00 177.75 1x6g s THR 11 N -1.80 4.68 0.02 1.26 -1.32 -1.26 -4.90 115.64 112.32 1x6g s THR 11 Ca 0.62 1.97 -0.03 0.00 -1.21 0.00 0.00 61.69 63.04 1x6g s THR 11 Cb -0.20 -4.27 -0.01 0.00 -1.51 0.00 0.00 72.50 66.52 1x6g s THR 11 CO 0.24 -0.05 -0.06 0.54 -2.21 0.00 0.00 174.62 173.09 1x6g n ARG 12 N 5.42 0.09 -1.09 7.08 1.74 -1.26 -5.08 116.66 123.56 1x6g n ARG 12 Ca 0.10 0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 57.08 1x6g n ARG 12 Cb 0.48 -0.52 0.09 0.00 -1.02 0.00 0.00 32.46 31.49 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 -3.28 -0.45 -1.25 5.56 3.00 -1.26 -5.05 116.66 113.93 1x6g n ARG 13 Ca -0.02 -1.10 -0.30 0.00 -0.01 0.00 0.00 57.85 56.42 1x6g n ARG 13 Cb 0.09 -0.60 0.13 0.00 0.00 0.00 0.00 32.46 32.07 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1x6g s TRP 14 N -2.22 2.41 0.42 -1.55 0.51 -1.26 -5.06 118.94 112.19 1x6g s TRP 14 Ca 0.36 1.30 0.07 0.00 -2.12 0.00 0.00 56.10 55.71 1x6g s TRP 14 Cb -0.01 -3.14 -0.05 0.00 -0.81 0.00 0.00 33.47 29.47 1x6g s TRP 14 CO 0.25 -2.23 0.21 0.00 -0.51 0.00 0.00 176.95 174.67 1x6g s ALA 15 N -2.95 3.67 -0.08 0.98 0.00 -1.26 -4.99 121.76 117.13 1x6g s ALA 15 Ca 0.63 -2.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 1x6g s ALA 15 Cb -0.17 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1x6g s ALA 15 CO 0.57 -0.18 1.24 -1.25 0.00 0.00 0.00 175.76 176.13 1x6g s PRO 16 N -3.94 4.31 0.00 0.00 0.04 -1.26 -2.86 135.00 131.29 1x6g s PRO 16 Ca 0.41 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1x6g s PRO 16 Cb 0.03 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1x6g s PRO 16 CO 0.23 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1x6g n GLY 17 N 3.46 0.90 3.78 0.56 0.00 0.12 -4.91 105.19 109.10 1x6g n GLY 17 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 4.41 -0.36 2.61 2.01 -1.14 -4.67 115.64 116.51 1x6g s THR 18 Ca 0.00 1.62 -0.23 0.00 0.31 0.00 0.00 61.69 63.40 1x6g s THR 18 Cb 0.00 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1x6g s THR 18 CO 0.00 0.48 0.75 -1.10 -0.69 0.00 0.00 174.62 174.06 1x6g s GLN 19 N -1.26 3.74 0.16 4.92 -0.21 -1.26 -1.70 119.66 124.05 1x6g s GLN 19 Ca 0.36 0.25 0.06 0.00 0.02 0.00 0.00 55.36 56.06 1x6g s GLN 19 Cb -0.22 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 29.94 1x6g s GLN 19 CO 0.25 -0.82 0.04 0.00 -2.12 0.00 0.00 175.29 172.64 1x6g s ILE 21 N -1.70 2.99 0.13 0.00 -1.09 0.78 -2.13 121.20 120.18 1x6g s ILE 21 Ca 0.28 -1.68 -0.22 0.00 -2.23 0.00 0.00 60.65 56.80 1x6g s ILE 21 Cb -0.10 -2.45 -0.07 0.00 -1.58 0.00 0.00 42.46 38.26 1x6g s ILE 21 CO 0.20 -0.06 0.68 0.42 -1.23 0.00 0.00 174.94 174.95 1x6g s THR 22 N -1.58 4.55 0.07 2.92 -4.23 -1.21 0.99 115.64 117.15 1x6g s THR 22 Ca 0.23 1.44 0.09 0.00 -1.18 0.00 0.00 61.69 62.27 1x6g s THR 22 Cb -0.09 -4.00 -0.16 0.00 1.34 0.00 0.00 72.50 69.59 1x6g s THR 22 CO 0.13 0.50 1.30 0.11 -0.54 0.00 0.00 174.62 176.13 1x6g h LYS 23 N 4.31 0.00 0.00 3.99 1.57 -1.86 -3.07 116.57 121.51 1x6g h LYS 23 Ca -0.48 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.84 1x6g h LYS 23 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 1x6g h LYS 23 CO 0.65 0.90 -0.43 0.00 -0.57 0.00 0.00 179.45 180.00 1x6g s GLU 25 N -3.30 2.99 -0.26 0.00 -1.05 -1.26 -3.61 118.70 112.21 1x6g s GLU 25 Ca 0.33 -0.51 -0.00 0.00 -0.15 0.00 0.00 54.97 54.63 1x6g s GLU 25 Cb 0.02 -2.81 0.08 0.00 -0.44 0.00 0.00 34.13 30.98 1x6g s GLU 25 CO 0.23 0.65 0.03 -1.58 0.95 0.00 0.00 175.26 175.53 1x6g s HIS 26 N -1.14 1.97 -0.11 4.83 2.46 0.49 -4.87 115.29 118.92 1x6g s HIS 26 Ca 0.21 -1.65 0.03 0.00 0.47 0.00 0.00 55.06 54.12 1x6g s HIS 26 Cb -0.12 -1.61 -0.24 0.00 -0.13 0.00 0.00 32.58 30.48 1x6g s HIS 26 CO 0.12 -0.78 0.39 0.25 -2.47 0.00 0.00 174.74 172.25 1x6g n THR 27 N 4.78 1.66 -3.78 0.89 -2.24 -1.25 0.08 114.28 114.42 1x6g n THR 27 Ca -0.07 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 1x6g n THR 27 Cb 0.44 -1.35 -0.14 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.56 1.38 1.02 -0.78 1.81 -1.26 -4.88 118.95 113.67 1x6g s ARG 28 Ca -0.16 -2.02 -0.16 0.00 -1.72 0.00 0.00 55.73 51.68 1x6g s ARG 28 Cb 0.07 -2.56 0.20 0.00 -0.45 0.00 0.00 34.95 32.21 1x6g s ARG 28 CO 0.78 -1.11 1.19 -1.25 -0.68 0.00 0.00 175.30 174.22 1x6g s PRO 29 N 0.40 0.27 1.32 3.54 0.04 -1.26 -5.04 135.00 134.27 1x6g s PRO 29 Ca 0.16 -0.03 -0.19 0.00 0.04 0.00 0.00 61.00 60.97 1x6g s PRO 29 Cb -0.24 -1.77 0.33 0.00 0.04 0.00 0.00 34.50 32.87 1x6g s PRO 29 CO -0.03 -2.73 0.97 0.15 0.04 0.00 0.00 177.00 175.41 1x6g s LYS 30 N -5.51 -2.17 -0.90 4.56 1.02 -1.26 -4.83 119.74 110.65 1x6g s LYS 30 Ca 0.69 0.34 -0.24 0.00 0.02 0.00 0.00 55.97 56.78 1x6g s LYS 30 Cb -0.10 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 1x6g s LYS 30 CO 0.54 -4.43 1.67 -1.25 -0.92 0.00 0.00 175.35 170.96 1x6g s PRO 31 N -4.89 3.05 0.00 -1.68 0.04 -1.26 -2.25 135.00 128.01 1x6g s PRO 31 Ca 0.69 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1x6g s PRO 31 Cb -0.17 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1x6g s PRO 31 CO 0.60 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 175.34 1x6g n GLY 32 N 6.60 1.78 3.68 0.56 0.00 -1.26 -5.13 105.19 111.41 1x6g n GLY 32 Ca 0.31 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 -0.08 2.07 0.24 1.61 2.02 -0.95 -4.67 118.70 118.93 1x6g s GLU 33 Ca 0.00 -2.07 0.01 0.00 0.02 0.00 0.00 54.97 52.93 1x6g s GLU 33 Cb 0.00 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 1x6g s GLU 33 CO 0.00 -0.12 0.41 -1.17 0.02 0.00 0.00 175.26 174.40 1x6g s LEU 34 N -3.80 4.21 0.22 1.80 2.96 -1.26 -4.78 118.68 118.04 1x6g s LEU 34 Ca 0.33 0.31 0.08 0.00 -0.22 0.00 0.00 54.13 54.64 1x6g s LEU 34 Cb 0.07 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 1x6g s LEU 34 CO 0.18 -0.09 0.02 0.00 -1.32 0.00 0.00 176.35 175.13 1x6g s ALA 35 N -1.98 3.23 0.19 5.97 0.00 -1.26 -4.57 121.76 123.33 1x6g s ALA 35 Ca 0.37 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 1x6g s ALA 35 Cb -0.10 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.15 1x6g s ALA 35 CO 0.30 0.36 0.98 -0.59 0.00 0.00 0.00 175.76 176.81 1x6g s PHE 36 N -2.03 -0.03 0.49 0.00 -0.12 0.11 -5.01 117.98 111.40 1x6g s PHE 36 Ca 0.30 -0.35 0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1x6g s PHE 36 Cb -0.08 0.68 0.04 0.00 -0.63 0.00 0.00 43.02 43.03 1x6g s PHE 36 CO 0.20 -0.93 0.33 0.54 -0.05 0.00 0.00 175.22 175.31 1x6g n ARG 37 N -0.57 0.78 -2.76 1.99 5.12 -1.26 0.19 116.66 120.14 1x6g n ARG 37 Ca -0.05 -3.10 -0.43 0.00 -1.93 0.00 0.00 57.85 52.34 1x6g n ARG 37 Cb 0.60 0.38 -0.03 0.00 -1.16 0.00 0.00 32.46 32.25 1x6g n ARG 37 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1x6g s LYS 38 N -3.98 3.82 0.00 5.56 2.20 -1.24 -3.70 119.74 122.40 1x6g s LYS 38 Ca 0.25 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 1x6g s LYS 38 Cb -0.02 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1x6g s LYS 38 CO 0.16 -1.03 0.00 0.41 -0.36 0.00 0.00 175.35 174.53 1x6g n GLY 39 N 4.45 0.65 3.70 5.54 0.00 -1.16 -4.94 105.19 113.43 1x6g n GLY 39 Ca 0.08 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.83 5.31 -0.11 1.61 1.01 -1.24 -4.88 116.67 116.54 1x6g s ASP 40 Ca 0.00 0.11 -0.17 0.00 0.71 0.00 0.00 52.55 53.20 1x6g s ASP 40 Cb 0.00 -1.47 -0.05 0.00 1.01 0.00 0.00 42.92 42.41 1x6g s ASP 40 CO 0.00 0.33 0.44 -0.69 0.21 0.00 0.00 175.17 175.46 1x6g s VAL 41 N -1.00 5.18 0.00 -1.27 1.01 -1.26 -3.31 120.40 119.76 1x6g s VAL 41 Ca 0.17 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 1x6g s VAL 41 Cb -0.11 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1x6g s VAL 41 CO 0.07 0.37 0.02 0.68 0.00 0.00 0.00 175.10 176.24 1x6g s VAL 42 N 0.35 0.06 -0.19 2.92 -7.23 -0.91 -3.28 120.40 112.11 1x6g s VAL 42 Ca 0.24 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.81 1x6g s VAL 42 Cb -0.15 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 1x6g s VAL 42 CO 0.10 -0.27 0.16 -0.89 -0.31 0.00 0.00 175.10 173.89 1x6g s THR 43 N -0.81 5.39 -0.42 5.32 2.01 -1.10 -1.23 115.64 124.79 1x6g s THR 43 Ca -0.09 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 61.90 1x6g s THR 43 Cb -0.06 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1x6g s THR 43 CO -0.00 0.43 2.05 -0.63 -0.69 0.00 0.00 174.62 175.78 1x6g s ILE 44 N 0.37 3.24 -0.02 1.82 -1.09 -0.69 -1.27 121.20 123.56 1x6g s ILE 44 Ca 0.10 0.20 -0.04 0.00 -2.23 0.00 0.00 60.65 58.68 1x6g s ILE 44 Cb -0.11 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1x6g s ILE 44 CO -0.01 -0.35 0.36 -0.07 -1.23 0.00 0.00 174.94 173.64 1x6g h LEU 45 N 16.14 -0.13 -7.36 2.97 3.38 -0.17 0.34 115.31 130.47 1x6g h LEU 45 Ca -0.31 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.33 1x6g h LEU 45 Cb 1.21 0.03 -0.37 0.00 0.09 0.00 0.00 40.66 41.62 1x6g h LEU 45 CO 1.10 0.04 -0.71 -0.70 0.09 0.00 0.00 178.44 178.25 1x6g s GLU 46 N -2.09 -0.04 0.51 1.13 2.12 -0.94 -4.75 118.70 114.63 1x6g s GLU 46 Ca -0.02 0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.61 1x6g s GLU 46 Cb 0.00 -0.39 -0.04 0.00 0.26 0.00 0.00 34.13 33.96 1x6g s GLU 46 CO 0.07 -0.28 0.83 0.00 -0.54 0.00 0.00 175.26 175.34 1x6g s ALA 47 N 1.87 3.35 0.00 6.30 0.00 -1.26 -2.92 121.76 129.09 1x6g s ALA 47 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1x6g s ALA 47 Cb -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1x6g s ALA 47 CO -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 175.76 175.31 1x6g n GLU 49 N -0.41 -1.95 -2.27 0.00 2.13 -1.26 -4.75 120.64 112.13 1x6g n GLU 49 Ca 0.00 1.59 -0.03 0.00 0.66 0.00 0.00 57.16 59.39 1x6g n GLU 49 Cb 0.00 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 1x6g n GLU 49 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1x6g n ASN 50 N 0.38 -4.22 -4.67 4.31 3.02 -1.26 -4.45 115.26 108.38 1x6g n ASN 50 Ca 0.00 1.32 -0.53 0.00 -0.03 0.00 0.00 54.58 55.34 1x6g n ASN 50 Cb 0.00 -4.53 -0.06 0.00 -0.61 0.00 0.00 39.78 34.58 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 1.47 1.40 -2.67 3.52 5.02 -1.26 -2.12 118.16 123.51 1x6g n LYS 51 Ca -0.19 0.51 -0.06 0.00 -2.02 0.00 0.00 58.31 56.55 1x6g n LYS 51 Cb 0.29 -2.21 0.03 0.00 -0.02 0.00 0.00 35.03 33.12 1x6g n LYS 51 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x6g n SER 52 N 4.50 -5.64 -3.64 4.39 7.64 -1.26 -4.99 113.62 114.62 1x6g n SER 52 Ca 0.23 -0.30 -0.06 0.00 1.01 0.00 0.00 58.87 59.74 1x6g n SER 52 Cb 0.19 -3.92 -0.07 0.00 -1.01 0.00 0.00 64.21 59.40 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 -3.15 -0.65 -0.05 1.43 0.52 -0.90 -3.41 118.94 112.72 1x6g s TRP 53 Ca 0.18 1.41 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1x6g s TRP 53 Cb -0.02 0.40 0.01 0.00 -1.15 0.00 0.00 33.47 32.71 1x6g s TRP 53 CO 0.52 -0.32 -0.10 0.71 0.02 0.00 0.00 176.95 177.78 1x6g s TYR 54 N 0.97 1.20 -0.43 -1.98 1.51 0.46 -4.38 117.35 114.69 1x6g s TYR 54 Ca -0.05 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.39 1x6g s TYR 54 Cb -0.04 -0.91 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1x6g s TYR 54 CO -0.12 -0.22 0.76 0.50 -1.11 0.00 0.00 175.55 175.36 1x6g s ARG 55 N 0.64 3.44 0.48 -0.62 3.52 -1.15 0.14 118.95 125.41 1x6g s ARG 55 Ca -0.12 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.42 1x6g s ARG 55 Cb -0.14 -3.92 -0.02 0.00 -1.56 0.00 0.00 34.95 29.30 1x6g s ARG 55 CO 0.02 -1.06 0.02 0.14 -0.81 0.00 0.00 175.30 173.62 1x6g s VAL 56 N 3.19 1.15 -0.14 7.11 -7.23 -1.16 0.58 120.40 123.90 1x6g s VAL 56 Ca 0.29 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1x6g s VAL 56 Cb -0.13 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1x6g s VAL 56 CO 0.21 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.07 1x6g s LYS 57 N -3.84 2.62 -0.11 4.82 2.20 -0.39 -3.45 119.74 121.59 1x6g s LYS 57 Ca 0.12 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 1x6g s LYS 57 Cb 0.03 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1x6g s LYS 57 CO 0.06 -0.11 1.38 -1.58 -0.36 0.00 0.00 175.35 174.74 1x6g s HIS 58 N 1.10 2.62 0.05 4.03 5.65 -0.76 -2.72 115.29 125.26 1x6g s HIS 58 Ca -0.02 0.78 -0.35 0.00 0.25 0.00 0.00 55.06 55.71 1x6g s HIS 58 Cb -0.14 -3.63 -0.19 0.00 -1.18 0.00 0.00 32.58 27.44 1x6g s HIS 58 CO -0.06 -2.34 1.47 1.25 -0.65 0.00 0.00 174.74 174.41 1x6g h HIS 59 N 8.50 -1.15 0.61 3.88 2.76 -1.89 1.43 115.15 129.29 1x6g h HIS 59 Ca -0.31 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.80 1x6g h HIS 59 Cb 1.13 0.38 0.01 0.00 1.55 0.00 0.00 27.41 30.48 1x6g h HIS 59 CO 0.82 -0.71 -0.29 1.15 -1.30 0.00 0.00 177.93 177.59 1x6g h THR 60 N -1.31 0.00 0.24 6.26 2.02 -1.91 -3.25 112.91 114.95 1x6g h THR 60 Ca -0.13 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1x6g h THR 60 Cb 0.95 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1x6g h THR 60 CO 0.21 0.00 -0.44 0.28 0.37 0.00 0.00 175.52 175.93 1x6g h SER 61 N -0.83 -1.28 0.00 4.18 0.02 -1.96 -3.46 113.55 110.22 1x6g h SER 61 Ca -0.08 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1x6g h SER 61 Cb 0.63 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1x6g h SER 61 CO 0.14 -0.54 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 1x6g n GLY 62 N -1.49 0.83 3.65 -3.77 0.00 0.49 -5.02 105.19 99.88 1x6g n GLY 62 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.32 0.26 -3.75 1.61 6.02 -1.24 -4.81 117.38 113.15 1x6g n GLN 63 Ca 0.00 -2.73 -0.24 0.00 -0.01 0.00 0.00 57.00 54.02 1x6g n GLN 63 Cb 0.00 -0.44 -0.17 0.00 1.02 0.00 0.00 30.24 30.65 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 -4.72 0.55 0.29 -1.09 2.02 -1.26 -1.84 118.70 112.65 1x6g s GLU 64 Ca 0.60 -0.02 0.03 0.00 0.02 0.00 0.00 54.97 55.60 1x6g s GLU 64 Cb -0.04 -1.29 -0.03 0.00 0.10 0.00 0.00 34.13 32.87 1x6g s GLU 64 CO 0.39 -0.41 0.25 0.20 0.02 0.00 0.00 175.26 175.71 1x6g s GLY 65 N 1.97 1.93 -0.14 -1.39 0.00 -1.22 -4.87 107.32 103.60 1x6g s GLY 65 Ca 0.03 -1.88 -0.21 0.00 0.00 0.00 0.00 44.72 42.66 1x6g s GLY 65 CO -0.06 -1.39 0.61 1.08 0.00 0.00 0.00 173.10 173.34 1x6g s LEU 66 N -3.28 4.23 -0.01 0.66 1.43 -1.26 -2.98 118.68 117.46 1x6g s LEU 66 Ca 0.39 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1x6g s LEU 66 Cb 0.04 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1x6g s LEU 66 CO 0.22 -0.15 0.05 -0.22 0.23 0.00 0.00 176.35 176.48 1x6g s LEU 67 N 1.25 3.77 -0.18 1.79 0.20 0.38 -4.22 118.68 121.67 1x6g s LEU 67 Ca 0.30 0.10 -0.29 0.00 0.69 0.00 0.00 54.13 54.94 1x6g s LEU 67 Cb -0.16 -2.16 -0.03 0.00 -0.43 0.00 0.00 46.19 43.40 1x6g s LEU 67 CO 0.12 0.28 1.66 0.00 -0.29 0.00 0.00 176.35 178.12 1x6g s ALA 68 N -1.14 3.32 0.43 5.97 0.00 -1.26 0.17 121.76 129.25 1x6g s ALA 68 Ca 0.21 0.59 0.22 0.00 0.00 0.00 0.00 51.96 52.98 1x6g s ALA 68 Cb -0.12 -3.84 1.19 0.00 0.00 0.00 0.00 23.12 20.35 1x6g s ALA 68 CO 0.12 -1.87 1.79 0.00 0.00 0.00 0.00 175.76 175.80 1x6g h ALA 69 N 10.68 2.39 -0.57 0.00 0.00 -1.84 0.67 119.26 130.59 1x6g h ALA 69 Ca -0.35 0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.23 1x6g h ALA 69 Cb 1.16 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 1x6g h ALA 69 CO 0.99 -0.77 0.47 0.41 0.00 0.00 0.00 179.25 180.35 1x6g n GLY 70 N -1.53 4.20 0.73 0.00 0.00 -1.26 -3.56 105.19 103.77 1x6g n GLY 70 Ca 0.25 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 2.36 -2.50 4.61 0.00 0.23 -5.02 120.51 120.19 1x6g n ALA 71 Ca 0.35 -0.77 -0.19 0.00 0.00 0.00 0.00 53.44 52.83 1x6g n ALA 71 Cb 0.72 -0.32 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 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 2.39 0.24 0.00 1.43 -1.23 -2.95 118.68 118.57 1x6g s LEU 72 Ca 0.05 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1x6g s LEU 72 Cb 0.06 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 1x6g s LEU 72 CO -0.02 -0.11 0.30 0.00 0.23 0.00 0.00 176.35 176.75 1x6g s ARG 73 N -2.58 1.43 -0.43 1.70 1.04 0.28 -4.84 118.95 115.54 1x6g s ARG 73 Ca 0.09 -1.52 -0.22 0.00 -1.04 0.00 0.00 55.73 53.05 1x6g s ARG 73 Cb -0.06 0.37 0.02 0.00 -2.04 0.00 0.00 34.95 33.24 1x6g s ARG 73 CO 0.04 -0.54 0.70 -2.00 -0.04 0.00 0.00 175.30 173.46 1x6g s GLU 74 N -3.97 3.37 -0.13 3.89 2.12 -1.26 -0.16 118.70 122.57 1x6g s GLU 74 Ca 0.32 -0.22 -0.40 0.00 0.36 0.00 0.00 54.97 55.03 1x6g s GLU 74 Cb 0.03 -3.93 -0.18 0.00 0.26 0.00 0.00 34.13 30.31 1x6g s GLU 74 CO 0.12 -1.03 1.39 -2.13 -0.54 0.00 0.00 175.26 173.08 1x6g n ARG 75 N 6.43 0.57 0.06 4.30 0.63 -1.25 -4.79 116.66 122.61 1x6g n ARG 75 Ca 0.00 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1x6g n ARG 75 Cb 0.48 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.60 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 3.08 0.07 -4.75 6.15 7.64 -1.26 -5.06 113.62 119.48 1x6g n SER 76 Ca 0.23 0.21 -0.30 0.00 1.01 0.00 0.00 58.87 60.02 1x6g n SER 76 Cb 0.10 0.12 0.12 0.00 -1.01 0.00 0.00 64.21 63.53 1x6g n SER 76 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6g s GLY 77 N -4.87 1.62 0.38 0.23 0.00 -1.26 -5.01 107.32 98.40 1x6g s GLY 77 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.33 1x6g s GLY 77 CO 0.00 0.33 1.06 2.56 0.00 0.00 0.00 173.10 177.05 1x6g s PRO 78 N -5.04 4.25 -0.31 2.90 0.04 -1.26 -5.03 135.00 130.56 1x6g s PRO 78 Ca 0.62 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1x6g s PRO 78 Cb -0.16 -2.67 0.08 0.00 0.04 0.00 0.00 34.50 31.79 1x6g s PRO 78 CO 0.56 -0.08 -0.01 -1.12 0.04 0.00 0.00 177.00 176.40 1x6g s SER 79 N -1.43 4.57 0.15 6.66 0.01 -1.26 -5.00 113.70 117.39 1x6g s SER 79 Ca 0.55 -1.83 -0.31 0.00 1.31 0.00 0.00 55.95 55.68 1x6g s SER 79 Cb -0.24 -1.54 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 1x6g s SER 79 CO 0.30 -0.31 1.55 -1.28 0.41 0.00 0.00 173.24 173.91 1x6g h SER 80 N 7.71 -1.94 0.00 2.44 0.87 -1.96 -3.53 113.55 117.14 1x6g h SER 80 Ca -0.10 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1x6g h SER 80 Cb 1.03 0.83 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 1x6g h SER 80 CO 0.49 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 177.08