#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 2.88 -0.30 1.61 0.01 -1.26 -5.13 113.70 111.51 1x6g s SER 2 Ca 0.00 -0.77 -0.16 0.00 1.31 0.00 0.00 55.95 56.33 1x6g s SER 2 Cb 0.00 -0.18 0.22 0.00 0.21 0.00 0.00 66.02 66.27 1x6g s SER 2 CO 0.00 0.08 1.30 -0.44 0.41 0.00 0.00 173.24 174.58 1x6g s SER 3 N -2.22 -0.01 0.00 2.44 0.01 -1.26 -5.15 113.70 107.52 1x6g s SER 3 Ca 0.12 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1x6g s SER 3 Cb -0.09 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1x6g s SER 3 CO 0.06 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1x6g n GLY 4 N 3.20 0.62 3.66 3.44 0.00 -1.26 -5.12 105.19 109.72 1x6g n GLY 4 Ca -0.16 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1x6g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6g s SER 5 N 0.00 6.56 -0.10 1.61 0.15 -1.26 -4.97 113.70 115.69 1x6g s SER 5 Ca 0.00 2.34 0.00 0.00 0.70 0.00 0.00 55.95 58.99 1x6g s SER 5 Cb 0.00 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1x6g s SER 5 CO 0.00 -1.00 -0.08 -0.55 1.20 0.00 0.00 173.24 172.81 1x6g s SER 6 N 3.84 2.02 0.00 5.45 0.15 -1.26 -4.99 113.70 118.91 1x6g s SER 6 Ca 0.79 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1x6g s SER 6 Cb -0.36 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1x6g s SER 6 CO 0.33 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1x6g n GLY 7 N 4.73 0.19 1.29 9.45 0.00 -1.26 -5.14 105.19 114.45 1x6g n GLY 7 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -3.64 0.00 1.61 3.00 -1.26 -5.03 116.66 111.34 1x6g n ARG 8 Ca 0.00 2.66 0.00 0.00 -0.00 0.00 0.00 57.85 60.51 1x6g n ARG 8 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 32.46 29.50 1x6g n ARG 8 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1x6g n MET 9 N -0.27 0.00 -2.32 -0.14 2.81 -1.26 -5.06 117.12 110.88 1x6g n MET 9 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 1x6g n MET 9 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1x6g n MET 9 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1x6g s PRO 10 N 0.00 3.19 -0.09 0.03 0.04 -1.26 -4.94 135.00 131.97 1x6g s PRO 10 Ca 0.00 -1.28 -0.16 0.00 0.04 0.00 0.00 61.00 59.61 1x6g s PRO 10 Cb 0.00 -5.33 -0.05 0.00 0.04 0.00 0.00 34.50 29.16 1x6g s PRO 10 CO 0.00 -3.00 0.40 -0.08 0.04 0.00 0.00 177.00 174.36 1x6g s THR 11 N 7.55 5.18 0.30 1.26 -1.32 -1.26 -4.89 115.64 122.46 1x6g s THR 11 Ca 0.60 0.79 0.00 0.00 -1.21 0.00 0.00 61.69 61.87 1x6g s THR 11 Cb -0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.27 1x6g s THR 11 CO 0.05 0.43 0.00 0.54 -2.21 0.00 0.00 174.62 173.43 1x6g n ARG 12 N 3.00 0.00 -2.17 7.08 1.74 -1.26 -5.13 116.66 119.92 1x6g n ARG 12 Ca -0.11 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.71 1x6g n ARG 12 Cb 0.52 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.05 1x6g n ARG 12 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x6g s ARG 13 N -2.00 1.90 0.70 5.56 1.81 -1.26 -5.05 118.95 120.61 1x6g s ARG 13 Ca 0.00 -0.32 -0.13 0.00 -1.72 0.00 0.00 55.73 53.55 1x6g s ARG 13 Cb 0.00 -2.12 0.02 0.00 -0.45 0.00 0.00 34.95 32.40 1x6g s ARG 13 CO 0.00 -1.47 1.10 -1.58 -0.68 0.00 0.00 175.30 172.68 1x6g s TRP 14 N -3.36 2.60 0.41 -0.53 0.51 -1.26 -5.05 118.94 112.26 1x6g s TRP 14 Ca 0.63 1.55 0.08 0.00 -2.12 0.00 0.00 56.10 56.24 1x6g s TRP 14 Cb -0.09 -3.13 -0.02 0.00 -0.81 0.00 0.00 33.47 29.42 1x6g s TRP 14 CO 0.46 -1.73 0.38 0.00 -0.51 0.00 0.00 176.95 175.55 1x6g s ALA 15 N -2.54 4.06 -0.30 0.98 0.00 -1.26 -4.87 121.76 117.83 1x6g s ALA 15 Ca 0.65 -1.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 1x6g s ALA 15 Cb -0.19 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 1x6g s ALA 15 CO 0.47 -0.21 1.35 -1.25 0.00 0.00 0.00 175.76 176.12 1x6g s PRO 16 N -4.13 3.88 0.00 0.00 0.04 -1.26 -2.73 135.00 130.80 1x6g s PRO 16 Ca 0.48 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1x6g s PRO 16 Cb -0.04 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1x6g s PRO 16 CO 0.28 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.55 1x6g n GLY 17 N 4.41 1.18 3.77 0.56 0.00 -0.20 -4.93 105.19 109.98 1x6g n GLY 17 Ca 0.15 0.00 -0.40 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 -1.62 4.31 -0.23 2.61 2.01 -1.10 -4.70 115.64 116.91 1x6g s THR 18 Ca 0.00 1.82 -0.22 0.00 0.31 0.00 0.00 61.69 63.60 1x6g s THR 18 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1x6g s THR 18 CO 0.00 0.50 0.70 -1.10 -0.69 0.00 0.00 174.62 174.04 1x6g s GLN 19 N -1.07 4.17 0.15 4.92 -0.21 -1.26 -2.06 119.66 124.30 1x6g s GLN 19 Ca 0.38 0.71 0.08 0.00 0.02 0.00 0.00 55.36 56.55 1x6g s GLN 19 Cb -0.24 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 1x6g s GLN 19 CO 0.28 -0.41 -0.10 0.00 -2.12 0.00 0.00 175.29 172.95 1x6g s ILE 21 N -1.49 2.98 -0.04 0.00 -1.09 0.91 -2.06 121.20 120.41 1x6g s ILE 21 Ca 0.23 -1.60 -0.24 0.00 -2.23 0.00 0.00 60.65 56.81 1x6g s ILE 21 Cb -0.10 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 1x6g s ILE 21 CO 0.14 -0.01 0.72 0.42 -1.23 0.00 0.00 174.94 174.98 1x6g s THR 22 N -1.44 4.98 0.25 2.92 -4.23 -1.20 0.99 115.64 117.90 1x6g s THR 22 Ca 0.21 1.49 0.10 0.00 -1.18 0.00 0.00 61.69 62.32 1x6g s THR 22 Cb -0.10 -4.06 -0.05 0.00 1.34 0.00 0.00 72.50 69.64 1x6g s THR 22 CO 0.13 0.28 1.57 0.11 -0.54 0.00 0.00 174.62 176.16 1x6g h LYS 23 N 6.51 0.00 -4.96 3.99 1.57 -1.84 -2.63 116.57 119.21 1x6g h LYS 23 Ca -0.42 -0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.85 1x6g h LYS 23 Cb 1.20 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.38 1x6g h LYS 23 CO 0.74 0.67 -0.51 0.00 -0.57 0.00 0.00 179.45 179.79 1x6g s GLU 25 N -3.60 3.73 -0.34 0.00 -1.05 -1.26 -3.52 118.70 112.65 1x6g s GLU 25 Ca 0.32 -0.36 -0.03 0.00 -0.15 0.00 0.00 54.97 54.75 1x6g s GLU 25 Cb 0.02 -3.10 0.07 0.00 -0.44 0.00 0.00 34.13 30.68 1x6g s GLU 25 CO 0.20 0.39 0.08 -1.58 0.95 0.00 0.00 175.26 175.30 1x6g s HIS 26 N 0.04 3.38 -0.17 4.83 2.46 0.46 -4.84 115.29 121.44 1x6g s HIS 26 Ca 0.05 -2.01 -0.07 0.00 0.47 0.00 0.00 55.06 53.50 1x6g s HIS 26 Cb -0.12 -2.51 -0.23 0.00 -0.13 0.00 0.00 32.58 29.59 1x6g s HIS 26 CO 0.01 -0.85 0.19 0.25 -2.47 0.00 0.00 174.74 171.87 1x6g n THR 27 N 4.63 1.68 -3.89 0.89 -2.24 -1.26 -0.64 114.28 113.45 1x6g n THR 27 Ca -0.09 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 60.82 1x6g n THR 27 Cb 0.43 -1.72 -0.13 0.00 -2.10 0.00 0.00 70.33 66.81 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 -2.52 2.09 0.92 -0.78 0.52 -1.26 -4.86 118.95 113.05 1x6g s ARG 28 Ca -0.27 -2.53 -0.13 0.00 -0.52 0.00 0.00 55.73 52.29 1x6g s ARG 28 Cb 0.07 -3.42 0.15 0.00 0.52 0.00 0.00 34.95 32.27 1x6g s ARG 28 CO 0.70 -1.11 1.14 -1.25 0.02 0.00 0.00 175.30 174.80 1x6g s PRO 29 N -0.12 1.04 1.03 3.54 0.04 -1.26 -5.02 135.00 134.24 1x6g s PRO 29 Ca 0.16 0.24 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 1x6g s PRO 29 Cb -0.24 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.56 1x6g s PRO 29 CO -0.02 -2.26 -0.07 1.63 0.04 0.00 0.00 177.00 176.32 1x6g n LYS 30 N -3.80 -1.64 -2.32 4.56 5.02 -1.26 -4.71 118.16 114.02 1x6g n LYS 30 Ca 0.07 -0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 55.54 1x6g n LYS 30 Cb 0.59 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 1x6g n LYS 30 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x6g s PRO 31 N -3.19 3.15 0.00 1.97 0.04 -1.26 -2.18 135.00 133.53 1x6g s PRO 31 Ca 0.42 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1x6g s PRO 31 Cb -0.05 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1x6g s PRO 31 CO 0.48 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1x6g n GLY 32 N 6.29 1.75 3.90 0.56 0.00 -1.26 -5.13 105.19 111.30 1x6g n GLY 32 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.02 2.37 0.23 1.61 0.41 -0.93 -4.92 118.70 117.45 1x6g s GLU 33 Ca 0.00 -1.77 -0.03 0.00 -0.41 0.00 0.00 54.97 52.76 1x6g s GLU 33 Cb 0.00 -2.27 -0.05 0.00 -1.78 0.00 0.00 34.13 30.03 1x6g s GLU 33 CO 0.00 -0.45 0.46 -1.17 -0.49 0.00 0.00 175.26 173.60 1x6g s LEU 34 N -4.25 4.17 0.18 1.80 2.96 -1.26 -4.78 118.68 117.50 1x6g s LEU 34 Ca 0.43 0.57 0.08 0.00 -0.22 0.00 0.00 54.13 54.99 1x6g s LEU 34 Cb -0.03 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1x6g s LEU 34 CO 0.26 -0.09 -0.00 0.00 -1.32 0.00 0.00 176.35 175.20 1x6g s ALA 35 N -1.92 3.20 0.10 5.97 0.00 -1.26 -4.57 121.76 123.28 1x6g s ALA 35 Ca 0.41 -1.40 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 1x6g s ALA 35 Cb -0.11 -0.97 0.08 0.00 0.00 0.00 0.00 23.12 22.12 1x6g s ALA 35 CO 0.28 0.45 0.71 -0.59 0.00 0.00 0.00 175.76 176.62 1x6g s PHE 36 N -1.79 -0.46 0.49 0.00 -0.71 0.19 -5.03 117.98 110.66 1x6g s PHE 36 Ca 0.28 0.28 0.06 0.00 -1.04 0.00 0.00 56.93 56.50 1x6g s PHE 36 Cb -0.09 0.55 0.03 0.00 -1.21 0.00 0.00 43.02 42.30 1x6g s PHE 36 CO 0.19 -0.74 0.67 1.03 -1.34 0.00 0.00 175.22 175.03 1x6g s ARG 37 N -3.51 2.64 -0.20 1.99 1.81 -1.26 0.17 118.95 120.59 1x6g s ARG 37 Ca 0.03 -1.15 -0.29 0.00 -1.72 0.00 0.00 55.73 52.59 1x6g s ARG 37 Cb -0.01 -2.65 -0.01 0.00 -0.45 0.00 0.00 34.95 31.83 1x6g s ARG 37 CO -0.11 -0.51 1.22 0.21 -0.68 0.00 0.00 175.30 175.42 1x6g s LYS 38 N -4.54 4.19 0.00 3.54 2.20 -1.23 -3.37 119.74 120.54 1x6g s LYS 38 Ca 0.57 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1x6g s LYS 38 Cb -0.09 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1x6g s LYS 38 CO 0.36 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1x6g n GLY 39 N 3.65 0.84 3.68 5.54 0.00 -0.99 -4.92 105.19 112.99 1x6g n GLY 39 Ca 0.14 -0.22 -0.33 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 -2.17 5.15 -0.05 1.61 1.01 -1.22 -4.87 116.67 116.14 1x6g s ASP 40 Ca 0.00 0.04 -0.18 0.00 0.71 0.00 0.00 52.55 53.13 1x6g s ASP 40 Cb 0.00 -1.38 -0.05 0.00 1.01 0.00 0.00 42.92 42.50 1x6g s ASP 40 CO 0.00 0.31 0.48 -0.69 0.21 0.00 0.00 175.17 175.48 1x6g s VAL 41 N -1.01 5.05 -0.02 -1.27 1.01 -1.26 -3.27 120.40 119.63 1x6g s VAL 41 Ca 0.17 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 63.09 1x6g s VAL 41 Cb -0.11 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1x6g s VAL 41 CO 0.07 0.44 0.11 0.68 0.00 0.00 0.00 175.10 176.40 1x6g s VAL 42 N -0.18 0.05 -0.19 2.92 -7.23 -0.87 -3.05 120.40 111.84 1x6g s VAL 42 Ca 0.26 -0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 1x6g s VAL 42 Cb -0.16 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.44 1x6g s VAL 42 CO 0.13 -0.21 0.11 -0.89 -0.31 0.00 0.00 175.10 173.93 1x6g s THR 43 N -0.69 5.19 -0.29 5.32 2.01 -1.10 -1.15 115.64 124.94 1x6g s THR 43 Ca -0.08 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1x6g s THR 43 Cb -0.05 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1x6g s THR 43 CO 0.01 0.46 2.02 -0.63 -0.69 0.00 0.00 174.62 175.78 1x6g s ILE 44 N 0.30 3.24 -0.05 1.82 -1.09 -0.87 -1.17 121.20 123.38 1x6g s ILE 44 Ca 0.07 0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 58.58 1x6g s ILE 44 Cb -0.11 -3.34 -0.09 0.00 -1.58 0.00 0.00 42.46 37.34 1x6g s ILE 44 CO -0.01 -0.22 0.61 -0.07 -1.23 0.00 0.00 174.94 174.02 1x6g h LEU 45 N 14.60 -0.34 -7.46 2.97 3.38 0.35 -0.51 115.31 128.30 1x6g h LEU 45 Ca -0.37 -0.08 -0.35 0.00 0.09 0.00 0.00 57.88 57.18 1x6g h LEU 45 Cb 1.20 0.09 -0.36 0.00 0.09 0.00 0.00 40.66 41.68 1x6g h LEU 45 CO 1.01 0.14 -0.74 -0.70 0.09 0.00 0.00 178.44 178.23 1x6g s GLU 46 N -3.12 0.09 -0.25 1.13 2.56 -1.08 -4.81 118.70 113.22 1x6g s GLU 46 Ca -0.08 0.22 -0.27 0.00 0.00 0.00 0.00 54.97 54.84 1x6g s GLU 46 Cb 0.01 -0.47 0.00 0.00 2.00 0.00 0.00 34.13 35.67 1x6g s GLU 46 CO 0.27 -0.23 0.95 0.00 -0.56 0.00 0.00 175.26 175.69 1x6g s ALA 47 N 1.54 3.65 -0.29 6.30 0.00 -1.26 -3.76 121.76 127.93 1x6g s ALA 47 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.78 1x6g s ALA 47 Cb -0.13 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.67 1x6g s ALA 47 CO -0.03 -1.06 0.86 0.00 0.00 0.00 0.00 175.76 175.53 1x6g h GLU 49 N 6.54 -0.04 -4.38 0.00 4.39 -1.94 -3.40 114.58 115.74 1x6g h GLU 49 Ca -0.28 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.27 1x6g h GLU 49 Cb 1.20 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1x6g h GLU 49 CO 0.18 -0.03 -0.20 0.09 -1.16 0.00 0.00 179.01 177.88 1x6g n ASN 50 N -5.50 -2.73 -2.78 1.42 4.13 -1.26 0.12 115.26 108.65 1x6g n ASN 50 Ca 0.10 0.28 -0.12 0.00 1.68 0.00 0.00 54.58 56.52 1x6g n ASN 50 Cb 0.40 -2.38 0.06 0.00 -1.54 0.00 0.00 39.78 36.32 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x6g n LYS 51 N -2.73 -4.11 -2.84 3.52 4.76 -1.26 -3.43 118.16 112.06 1x6g n LYS 51 Ca -0.08 0.63 -0.10 0.00 -2.87 0.00 0.00 58.31 55.89 1x6g n LYS 51 Cb 0.56 -4.90 0.04 0.00 -1.84 0.00 0.00 35.03 28.90 1x6g n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x6g n SER 52 N -2.61 -2.76 -3.97 4.39 2.88 0.20 -4.93 113.62 106.82 1x6g n SER 52 Ca -0.18 -0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 56.94 1x6g n SER 52 Cb 0.62 -2.86 -0.13 0.00 -0.75 0.00 0.00 64.21 61.09 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 -3.18 0.35 -0.01 0.66 0.52 0.31 -0.26 118.94 117.33 1x6g s TRP 53 Ca 0.10 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 55.94 1x6g s TRP 53 Cb -0.04 -0.22 0.01 0.00 -1.15 0.00 0.00 33.47 32.06 1x6g s TRP 53 CO 0.38 -0.07 -0.03 0.71 0.02 0.00 0.00 176.95 177.96 1x6g s TYR 54 N -0.76 0.32 -0.45 -1.98 2.02 0.11 -4.06 117.35 112.55 1x6g s TYR 54 Ca -0.06 -0.05 -0.19 0.00 -0.37 0.00 0.00 57.07 56.40 1x6g s TYR 54 Cb -0.06 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1x6g s TYR 54 CO -0.00 -0.04 0.54 0.50 -1.57 0.00 0.00 175.55 174.97 1x6g s ARG 55 N 0.22 3.14 0.45 -0.62 3.52 -1.25 0.15 118.95 124.57 1x6g s ARG 55 Ca -0.02 -0.72 0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1x6g s ARG 55 Cb -0.05 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1x6g s ARG 55 CO -0.00 -0.99 0.03 0.14 -0.81 0.00 0.00 175.30 173.66 1x6g s VAL 56 N 2.42 1.69 -0.16 7.11 -7.23 -1.01 0.10 120.40 123.32 1x6g s VAL 56 Ca 0.15 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1x6g s VAL 56 Cb -0.17 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.12 1x6g s VAL 56 CO 0.14 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.00 1x6g s LYS 57 N -3.80 3.08 -0.13 4.82 2.20 -0.32 -2.79 119.74 122.81 1x6g s LYS 57 Ca 0.24 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 1x6g s LYS 57 Cb 0.06 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.78 1x6g s LYS 57 CO 0.13 -0.09 1.48 -1.58 -0.36 0.00 0.00 175.35 174.93 1x6g s HIS 58 N 1.02 2.36 0.01 4.03 5.65 -0.42 -2.71 115.29 125.23 1x6g s HIS 58 Ca -0.02 0.58 -0.18 0.00 0.25 0.00 0.00 55.06 55.69 1x6g s HIS 58 Cb -0.15 -3.76 -0.10 0.00 -1.18 0.00 0.00 32.58 27.39 1x6g s HIS 58 CO -0.05 -2.81 1.02 1.25 -0.65 0.00 0.00 174.74 173.49 1x6g h HIS 59 N 9.17 -0.61 -0.31 3.88 2.76 -1.87 1.42 115.15 129.60 1x6g h HIS 59 Ca -0.33 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 57.86 1x6g h HIS 59 Cb 1.14 0.20 -0.06 0.00 1.55 0.00 0.00 27.41 30.25 1x6g h HIS 59 CO 0.86 -0.38 -0.39 1.15 -1.30 0.00 0.00 177.93 177.86 1x6g h THR 60 N -0.83 0.00 0.15 6.26 2.02 -1.91 -3.13 112.91 115.46 1x6g h THR 60 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1x6g h THR 60 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1x6g h THR 60 CO 0.11 0.00 -0.07 -1.28 0.37 0.00 0.00 175.52 174.65 1x6g h SER 61 N -0.26 -0.17 0.00 4.18 0.87 -1.97 -3.48 113.55 112.71 1x6g h SER 61 Ca 0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1x6g h SER 61 Cb 0.41 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1x6g h SER 61 CO -0.43 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 176.38 1x6g n GLY 62 N -0.45 1.48 3.79 5.77 0.00 0.49 -5.05 105.19 111.22 1x6g n GLY 62 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.46 -3.76 1.61 6.02 -1.21 -4.83 117.38 114.83 1x6g n GLN 63 Ca 0.00 -2.95 -0.26 0.00 -0.01 0.00 0.00 57.00 53.79 1x6g n GLN 63 Cb 0.00 -0.33 -0.17 0.00 1.02 0.00 0.00 30.24 30.76 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 -4.66 0.70 0.22 -1.09 2.02 -1.26 -1.30 118.70 113.33 1x6g s GLU 64 Ca 0.60 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 55.33 1x6g s GLU 64 Cb -0.04 -1.66 -0.03 0.00 0.10 0.00 0.00 34.13 32.50 1x6g s GLU 64 CO 0.39 -0.49 0.25 0.20 0.02 0.00 0.00 175.26 175.62 1x6g s GLY 65 N 1.89 1.22 0.70 -1.39 0.00 -1.12 -4.93 107.32 103.68 1x6g s GLY 65 Ca 0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 1x6g s GLY 65 CO -0.07 -1.16 1.07 1.08 0.00 0.00 0.00 173.10 174.01 1x6g s LEU 66 N -3.13 3.01 0.02 0.66 1.43 -1.26 -2.40 118.68 117.02 1x6g s LEU 66 Ca 0.34 1.41 -0.03 0.00 -1.03 0.00 0.00 54.13 54.82 1x6g s LEU 66 Cb 0.04 -4.27 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 1x6g s LEU 66 CO 0.12 -1.36 0.04 -0.76 0.23 0.00 0.00 176.35 174.62 1x6g s LEU 67 N -5.45 1.99 -0.15 1.79 1.43 0.40 -4.33 118.68 114.36 1x6g s LEU 67 Ca 0.58 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 1x6g s LEU 67 Cb -0.13 0.37 -0.02 0.00 0.03 0.00 0.00 46.19 46.44 1x6g s LEU 67 CO 0.54 -0.39 1.31 0.00 0.23 0.00 0.00 176.35 178.04 1x6g s ALA 68 N -1.92 3.66 0.64 4.21 0.00 -1.26 0.08 121.76 127.17 1x6g s ALA 68 Ca -0.11 0.52 0.37 0.00 0.00 0.00 0.00 51.96 52.74 1x6g s ALA 68 Cb -0.06 -3.64 2.08 0.00 0.00 0.00 0.00 23.12 21.51 1x6g s ALA 68 CO -0.02 -1.20 2.24 0.00 0.00 0.00 0.00 175.76 176.78 1x6g h ALA 69 N 8.37 1.28 -0.89 0.00 0.00 -0.94 0.12 119.26 127.20 1x6g h ALA 69 Ca -0.28 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 1x6g h ALA 69 Cb 1.11 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 1x6g h ALA 69 CO 0.97 -0.10 0.53 0.41 0.00 0.00 0.00 179.25 181.06 1x6g n GLY 70 N -1.20 5.22 0.73 0.00 0.00 -1.26 -4.11 105.19 104.58 1x6g n GLY 70 Ca -0.02 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.03 2.34 -2.57 4.61 0.00 0.43 -5.03 120.51 119.26 1x6g n ALA 71 Ca 0.56 -0.80 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1x6g n ALA 71 Cb 1.15 -0.33 -0.14 0.00 0.00 0.00 0.00 19.45 20.14 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 2.18 0.25 0.00 1.43 -1.22 -2.70 118.68 118.62 1x6g s LEU 72 Ca 0.05 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1x6g s LEU 72 Cb 0.06 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1x6g s LEU 72 CO -0.03 0.09 0.13 0.00 0.23 0.00 0.00 176.35 176.77 1x6g s ARG 73 N -1.23 1.40 -0.43 1.70 1.04 0.28 -4.86 118.95 116.84 1x6g s ARG 73 Ca 0.04 -1.76 -0.21 0.00 -1.04 0.00 0.00 55.73 52.76 1x6g s ARG 73 Cb -0.08 -0.04 0.02 0.00 -2.04 0.00 0.00 34.95 32.81 1x6g s ARG 73 CO 0.02 -0.37 0.67 -2.00 -0.04 0.00 0.00 175.30 173.58 1x6g s GLU 74 N -4.01 3.37 0.02 3.89 2.12 -1.26 -0.07 118.70 122.77 1x6g s GLU 74 Ca 0.38 -0.25 -0.38 0.00 0.36 0.00 0.00 54.97 55.08 1x6g s GLU 74 Cb 0.07 -3.92 -0.17 0.00 0.26 0.00 0.00 34.13 30.36 1x6g s GLU 74 CO 0.14 -0.99 1.32 -2.13 -0.54 0.00 0.00 175.26 173.07 1x6g n ARG 75 N 6.32 0.86 -0.13 4.30 0.63 -1.25 -4.88 116.66 122.50 1x6g n ARG 75 Ca -0.01 0.31 -0.24 0.00 -0.92 0.00 0.00 57.85 56.99 1x6g n ARG 75 Cb 0.48 -1.92 -0.08 0.00 0.45 0.00 0.00 32.46 31.39 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 2.56 1.95 -0.22 6.15 7.64 -1.26 -5.06 113.62 125.38 1x6g n SER 76 Ca 0.20 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1x6g n SER 76 Cb 0.15 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.31 2.23 3.55 0.23 0.00 -1.26 -5.10 105.19 106.15 1x6g n GLY 77 Ca -0.44 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1x6g n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6g s PRO 78 N 0.34 2.91 0.63 1.61 0.04 -1.26 -4.76 135.00 134.50 1x6g s PRO 78 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1x6g s PRO 78 Cb 0.00 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1x6g s PRO 78 CO 0.00 -2.44 0.00 0.43 0.04 0.00 0.00 177.00 175.03 1x6g n SER 79 N 11.05 -8.29 0.07 6.66 7.64 -1.26 -5.00 113.62 124.49 1x6g n SER 79 Ca 0.12 1.69 0.00 0.00 1.01 0.00 0.00 58.87 61.68 1x6g n SER 79 Cb 0.51 -5.17 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 1x6g n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x6g n SER 80 N -3.65 0.71 0.00 6.43 2.88 -1.26 -5.06 113.62 113.67 1x6g n SER 80 Ca -0.06 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1x6g n SER 80 Cb 0.61 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1x6g n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42