#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 -0.33 -0.30 1.61 1.04 -1.26 -5.13 113.70 109.33 1x6g s SER 2 Ca 0.00 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 1x6g s SER 2 Cb 0.00 0.43 0.18 0.00 0.10 0.00 0.00 66.02 66.73 1x6g s SER 2 CO 0.00 -0.03 0.86 -0.94 0.98 0.00 0.00 173.24 174.11 1x6g s SER 3 N 1.73 -0.86 0.05 7.02 1.04 -1.26 -5.17 113.70 116.24 1x6g s SER 3 Ca 0.17 0.50 -0.27 0.00 0.48 0.00 0.00 55.95 56.83 1x6g s SER 3 Cb 0.05 1.71 0.08 0.00 0.10 0.00 0.00 66.02 67.96 1x6g s SER 3 CO -0.14 -0.16 0.74 -0.83 0.98 0.00 0.00 173.24 173.83 1x6g s GLY 4 N 2.91 -0.54 0.21 7.32 0.00 -1.26 -5.18 107.32 110.79 1x6g s GLY 4 Ca 0.09 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.75 1x6g s GLY 4 CO -0.16 0.42 0.05 -0.56 0.00 0.00 0.00 173.10 172.85 1x6g s SER 5 N -2.27 1.15 -0.43 1.64 0.01 -1.26 -5.12 113.70 107.43 1x6g s SER 5 Ca -0.00 -1.28 0.04 0.00 1.31 0.00 0.00 55.95 56.02 1x6g s SER 5 Cb -0.01 0.15 0.19 0.00 0.21 0.00 0.00 66.02 66.56 1x6g s SER 5 CO -0.07 -0.65 0.77 -0.44 0.41 0.00 0.00 173.24 173.26 1x6g s SER 6 N -3.23 -1.22 -0.70 2.44 0.01 -1.26 -5.08 113.70 104.66 1x6g s SER 6 Ca 0.31 -0.97 0.05 0.00 1.31 0.00 0.00 55.95 56.65 1x6g s SER 6 Cb 0.07 1.57 0.17 0.00 0.21 0.00 0.00 66.02 68.04 1x6g s SER 6 CO 0.09 -0.10 0.50 0.61 0.41 0.00 0.00 173.24 174.75 1x6g n GLY 7 N 3.65 3.99 2.90 3.44 0.00 -1.26 -5.05 105.19 112.86 1x6g n GLY 7 Ca 0.13 -2.56 -0.12 0.00 0.00 0.00 0.00 46.02 43.46 1x6g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x6g s ARG 8 N -1.46 0.05 0.11 1.61 0.52 -1.26 -5.16 118.95 113.36 1x6g s ARG 8 Ca 0.25 -0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1x6g s ARG 8 Cb -0.04 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 1x6g s ARG 8 CO -0.17 -0.01 0.25 -1.64 0.02 0.00 0.00 175.30 173.75 1x6g s MET 9 N -0.12 3.44 -1.01 3.54 -1.94 -1.26 -5.02 119.30 116.93 1x6g s MET 9 Ca -0.01 -0.52 -0.23 0.00 -1.71 0.00 0.00 55.69 53.21 1x6g s MET 9 Cb -0.01 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.83 1x6g s MET 9 CO -0.00 0.56 1.71 -1.25 -0.01 0.00 0.00 175.02 176.04 1x6g s PRO 10 N -2.90 3.12 0.06 2.03 0.04 -1.26 -4.82 135.00 131.26 1x6g s PRO 10 Ca 0.35 -0.86 -0.37 0.00 0.04 0.00 0.00 61.00 60.16 1x6g s PRO 10 Cb -0.12 -5.25 -0.20 0.00 0.04 0.00 0.00 34.50 28.97 1x6g s PRO 10 CO 0.28 -2.83 1.55 1.15 0.04 0.00 0.00 177.00 177.19 1x6g h THR 11 N 6.83 0.00 0.00 1.26 2.02 -2.03 -3.46 112.91 117.53 1x6g h THR 11 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1x6g h THR 11 Cb 0.99 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1x6g h THR 11 CO 1.33 0.00 0.00 0.54 0.37 0.00 0.00 175.52 177.76 1x6g n ARG 12 N -5.57 0.00 -1.21 6.66 1.74 -1.26 -5.13 116.66 111.89 1x6g n ARG 12 Ca -0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.54 1x6g n ARG 12 Cb 0.52 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.97 1x6g n ARG 12 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1x6g n ARG 13 N -3.42 0.00 -3.32 5.56 -4.01 -1.26 -4.91 116.66 105.30 1x6g n ARG 13 Ca 0.00 0.00 -0.34 0.00 -1.04 0.00 0.00 57.85 56.47 1x6g n ARG 13 Cb 0.00 -0.97 -0.06 0.00 -3.04 0.00 0.00 32.46 28.39 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 1x6g s TRP 14 N -1.94 3.52 0.55 2.89 0.51 -1.26 -4.97 118.94 118.25 1x6g s TRP 14 Ca 0.55 1.06 -0.01 0.00 -2.12 0.00 0.00 56.10 55.58 1x6g s TRP 14 Cb -0.48 -2.39 0.03 0.00 -0.81 0.00 0.00 33.47 29.82 1x6g s TRP 14 CO 0.64 0.33 0.80 0.00 -0.51 0.00 0.00 176.95 178.21 1x6g s ALA 15 N -1.65 3.69 -0.24 0.98 0.00 -1.26 -4.68 121.76 118.60 1x6g s ALA 15 Ca 0.43 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1x6g s ALA 15 Cb -0.13 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1x6g s ALA 15 CO 0.20 -0.75 1.32 -1.25 0.00 0.00 0.00 175.76 175.28 1x6g s PRO 16 N -4.81 4.02 0.00 0.00 0.04 -1.26 -2.81 135.00 130.18 1x6g s PRO 16 Ca 0.55 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1x6g s PRO 16 Cb -0.10 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1x6g s PRO 16 CO 0.40 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1x6g n GLY 17 N 4.09 1.33 3.79 0.56 0.00 0.29 -4.95 105.19 110.31 1x6g n GLY 17 Ca 0.15 0.00 -0.38 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 -1.67 4.43 -0.26 2.61 2.01 -1.12 -4.71 115.64 116.93 1x6g s THR 18 Ca 0.00 1.57 -0.21 0.00 0.31 0.00 0.00 61.69 63.37 1x6g s THR 18 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1x6g s THR 18 CO 0.00 0.43 0.65 -1.10 -0.69 0.00 0.00 174.62 173.92 1x6g s GLN 19 N -1.39 4.09 0.18 4.92 -0.21 -1.26 -1.67 119.66 124.32 1x6g s GLN 19 Ca 0.38 0.56 0.08 0.00 0.02 0.00 0.00 55.36 56.39 1x6g s GLN 19 Cb -0.21 -3.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 1x6g s GLN 19 CO 0.24 -0.45 -0.02 0.00 -2.12 0.00 0.00 175.29 172.94 1x6g s ILE 21 N -1.73 2.70 0.16 0.00 -1.09 0.78 -2.58 121.20 119.44 1x6g s ILE 21 Ca 0.27 -1.95 -0.23 0.00 -2.23 0.00 0.00 60.65 56.51 1x6g s ILE 21 Cb -0.09 -2.33 -0.08 0.00 -1.58 0.00 0.00 42.46 38.38 1x6g s ILE 21 CO 0.18 -0.16 0.73 0.42 -1.23 0.00 0.00 174.94 174.88 1x6g s THR 22 N -1.81 4.47 0.01 2.92 -4.23 -1.22 0.95 115.64 116.74 1x6g s THR 22 Ca 0.24 1.53 0.11 0.00 -1.18 0.00 0.00 61.69 62.38 1x6g s THR 22 Cb -0.08 -4.04 -0.14 0.00 1.34 0.00 0.00 72.50 69.58 1x6g s THR 22 CO 0.13 0.46 1.18 0.11 -0.54 0.00 0.00 174.62 175.96 1x6g h LYS 23 N 4.17 0.00 -4.87 3.99 1.57 -1.85 -3.18 116.57 116.40 1x6g h LYS 23 Ca -0.48 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.86 1x6g h LYS 23 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.38 1x6g h LYS 23 CO 0.65 0.74 -0.53 0.00 -0.57 0.00 0.00 179.45 179.75 1x6g s GLU 25 N -3.66 3.36 -0.25 0.00 -1.05 -1.26 -3.73 118.70 112.10 1x6g s GLU 25 Ca 0.37 -0.24 -0.01 0.00 -0.15 0.00 0.00 54.97 54.94 1x6g s GLU 25 Cb 0.04 -3.09 0.08 0.00 -0.44 0.00 0.00 34.13 30.71 1x6g s GLU 25 CO 0.22 0.73 0.03 -1.58 0.95 0.00 0.00 175.26 175.61 1x6g s HIS 26 N -1.11 1.81 -0.13 4.83 2.46 0.49 -4.86 115.29 118.77 1x6g s HIS 26 Ca 0.19 -1.54 -0.03 0.00 0.47 0.00 0.00 55.06 54.15 1x6g s HIS 26 Cb -0.12 -1.53 -0.24 0.00 -0.13 0.00 0.00 32.58 30.55 1x6g s HIS 26 CO 0.09 -0.77 0.30 0.25 -2.47 0.00 0.00 174.74 172.14 1x6g n THR 27 N 4.83 1.72 -3.96 0.89 -2.24 -1.26 -0.35 114.28 113.91 1x6g n THR 27 Ca -0.07 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 1x6g n THR 27 Cb 0.44 -1.59 -0.14 0.00 -2.10 0.00 0.00 70.33 66.94 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 1.92 1.04 -0.78 1.81 -1.26 -4.85 118.95 114.28 1x6g s ARG 28 Ca -0.22 -2.53 -0.16 0.00 -1.72 0.00 0.00 55.73 51.10 1x6g s ARG 28 Cb 0.07 -3.31 0.22 0.00 -0.45 0.00 0.00 34.95 31.48 1x6g s ARG 28 CO 0.75 -1.09 1.20 -1.25 -0.68 0.00 0.00 175.30 174.23 1x6g s PRO 29 N -0.14 0.02 1.24 3.54 0.04 -1.26 -5.04 135.00 133.40 1x6g s PRO 29 Ca 0.16 -0.13 -0.18 0.00 0.04 0.00 0.00 61.00 60.90 1x6g s PRO 29 Cb -0.25 -1.75 0.30 0.00 0.04 0.00 0.00 34.50 32.84 1x6g s PRO 29 CO -0.01 -2.87 1.03 0.15 0.04 0.00 0.00 177.00 175.33 1x6g s LYS 30 N -5.57 -1.50 -0.88 4.56 1.02 -1.26 -4.85 119.74 111.26 1x6g s LYS 30 Ca 0.71 0.31 -0.25 0.00 0.02 0.00 0.00 55.97 56.76 1x6g s LYS 30 Cb -0.08 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1x6g s LYS 30 CO 0.54 -3.98 1.66 -1.25 -0.92 0.00 0.00 175.35 171.40 1x6g s PRO 31 N -4.98 3.03 0.00 -1.68 0.04 -1.26 -2.27 135.00 127.88 1x6g s PRO 31 Ca 0.69 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1x6g s PRO 31 Cb -0.16 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1x6g s PRO 31 CO 0.59 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1x6g n GLY 32 N 6.48 1.76 3.75 0.56 0.00 -1.26 -5.13 105.19 111.35 1x6g n GLY 32 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.11 2.16 0.11 1.61 2.02 -0.96 -4.66 118.70 118.87 1x6g s GLU 33 Ca 0.00 -2.18 0.02 0.00 0.02 0.00 0.00 54.97 52.83 1x6g s GLU 33 Cb 0.00 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 1x6g s GLU 33 CO 0.00 -0.28 0.20 -1.17 0.02 0.00 0.00 175.26 174.03 1x6g s LEU 34 N -3.91 4.17 0.24 1.80 2.96 -1.26 -4.81 118.68 117.88 1x6g s LEU 34 Ca 0.23 0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 1x6g s LEU 34 Cb 0.03 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1x6g s LEU 34 CO 0.13 0.11 0.25 0.00 -1.32 0.00 0.00 176.35 175.52 1x6g s ALA 35 N -1.61 3.71 -0.10 5.97 0.00 -1.26 -4.65 121.76 123.82 1x6g s ALA 35 Ca 0.33 -1.34 -0.32 0.00 0.00 0.00 0.00 51.96 50.63 1x6g s ALA 35 Cb -0.12 -1.46 0.12 0.00 0.00 0.00 0.00 23.12 21.67 1x6g s ALA 35 CO 0.26 0.26 1.09 -0.59 0.00 0.00 0.00 175.76 176.78 1x6g s PHE 36 N -2.06 -0.20 0.45 0.00 -0.12 0.53 -5.03 117.98 111.54 1x6g s PHE 36 Ca 0.33 0.11 0.08 0.00 -0.05 0.00 0.00 56.93 57.40 1x6g s PHE 36 Cb -0.08 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 1x6g s PHE 36 CO 0.26 -0.35 0.45 1.03 -0.05 0.00 0.00 175.22 176.56 1x6g s ARG 37 N -2.70 2.52 -0.06 1.99 1.81 -1.26 0.18 118.95 121.43 1x6g s ARG 37 Ca 0.08 -1.57 -0.30 0.00 -1.72 0.00 0.00 55.73 52.23 1x6g s ARG 37 Cb -0.01 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 32.02 1x6g s ARG 37 CO -0.06 -0.32 1.58 0.21 -0.68 0.00 0.00 175.30 176.03 1x6g s LYS 38 N -4.23 4.20 0.00 3.54 2.20 -1.24 -2.94 119.74 121.27 1x6g s LYS 38 Ca 0.49 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1x6g s LYS 38 Cb -0.04 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1x6g s LYS 38 CO 0.29 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1x6g n GLY 39 N 4.00 0.72 3.84 5.54 0.00 -1.20 -4.95 105.19 113.14 1x6g n GLY 39 Ca 0.16 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1x6g n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x6g s ASP 40 N -2.31 6.28 -0.23 1.61 2.15 -1.15 -4.88 116.67 118.15 1x6g s ASP 40 Ca 0.00 0.41 -0.14 0.00 0.43 0.00 0.00 52.55 53.25 1x6g s ASP 40 Cb 0.00 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.54 1x6g s ASP 40 CO 0.00 0.37 0.31 -0.69 -0.17 0.00 0.00 175.17 174.99 1x6g s VAL 41 N -0.78 5.25 0.10 1.11 1.01 -1.26 -3.40 120.40 122.43 1x6g s VAL 41 Ca 0.14 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1x6g s VAL 41 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1x6g s VAL 41 CO 0.03 0.27 -0.07 0.68 0.00 0.00 0.00 175.10 176.01 1x6g s VAL 42 N 1.34 0.72 -0.16 2.92 -7.23 -1.06 -3.11 120.40 113.82 1x6g s VAL 42 Ca 0.14 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1x6g s VAL 42 Cb -0.14 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1x6g s VAL 42 CO 0.07 -0.85 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.10 1x6g s THR 43 N -3.52 4.03 -0.15 5.32 2.01 -0.68 -2.10 115.64 120.54 1x6g s THR 43 Ca 0.11 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1x6g s THR 43 Cb 0.04 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1x6g s THR 43 CO -0.04 0.49 1.79 -0.63 -0.69 0.00 0.00 174.62 175.53 1x6g s ILE 44 N 0.35 3.44 -0.18 1.82 -1.09 -0.67 -0.59 121.20 124.29 1x6g s ILE 44 Ca -0.03 0.50 -0.21 0.00 -2.23 0.00 0.00 60.65 58.68 1x6g s ILE 44 Cb -0.14 -3.43 -0.19 0.00 -1.58 0.00 0.00 42.46 37.12 1x6g s ILE 44 CO 0.03 -0.17 0.32 -0.07 -1.23 0.00 0.00 174.94 173.82 1x6g h LEU 45 N 11.91 0.00 -7.66 2.97 3.38 -0.76 0.85 115.31 126.00 1x6g h LEU 45 Ca -0.38 -0.57 -0.21 0.00 0.09 0.00 0.00 57.88 56.80 1x6g h LEU 45 Cb 1.19 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.66 1x6g h LEU 45 CO 0.98 1.24 -0.64 -0.70 0.09 0.00 0.00 178.44 179.40 1x6g s GLU 46 N -2.27 0.08 -0.32 1.13 2.56 -1.08 -4.76 118.70 114.03 1x6g s GLU 46 Ca -0.23 0.10 -0.16 0.00 0.00 0.00 0.00 54.97 54.67 1x6g s GLU 46 Cb 0.03 0.03 -0.02 0.00 2.00 0.00 0.00 34.13 36.17 1x6g s GLU 46 CO 0.55 -0.01 0.42 0.00 -0.56 0.00 0.00 175.26 175.67 1x6g s ALA 47 N 0.06 3.52 0.15 6.30 0.00 -1.26 -3.45 121.76 127.07 1x6g s ALA 47 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1x6g s ALA 47 Cb -0.01 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1x6g s ALA 47 CO -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 175.76 174.78 1x6g n GLU 49 N 1.21 0.06 0.00 0.00 0.00 -1.26 -5.04 120.64 115.61 1x6g n GLU 49 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 57.16 56.57 1x6g n GLU 49 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 31.44 31.37 1x6g n GLU 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1x6g n ASN 50 N 0.53 0.00 0.00 4.31 4.13 -1.26 -4.96 115.26 118.01 1x6g n ASN 50 Ca -0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1x6g n ASN 50 Cb 0.76 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.00 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 0.00 0.00 -1.78 3.52 4.76 -1.26 -4.99 118.16 118.41 1x6g n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1x6g n LYS 51 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 -1.72 -3.76 4.39 2.88 -1.26 -5.02 113.62 109.12 1x6g n SER 52 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1x6g n SER 52 Cb 0.00 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 62.95 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 -2.74 1.25 -0.19 0.66 0.52 -1.26 -2.32 118.94 114.85 1x6g s TRP 53 Ca 0.00 -1.39 -0.07 0.00 0.02 0.00 0.00 56.10 54.66 1x6g s TRP 53 Cb 0.00 -0.45 0.08 0.00 -1.15 0.00 0.00 33.47 31.95 1x6g s TRP 53 CO 0.00 -0.83 0.42 0.71 0.02 0.00 0.00 176.95 177.27 1x6g s TYR 54 N -3.75 -0.76 -0.47 -1.98 2.02 0.23 -3.78 117.35 108.86 1x6g s TYR 54 Ca 0.36 1.48 -0.26 0.00 -0.37 0.00 0.00 57.07 58.29 1x6g s TYR 54 Cb 0.04 0.30 0.03 0.00 -0.40 0.00 0.00 41.96 41.92 1x6g s TYR 54 CO 0.18 -0.45 0.97 0.50 -1.57 0.00 0.00 175.55 175.17 1x6g s ARG 55 N 2.36 3.54 0.39 -0.62 3.52 -1.22 -1.41 118.95 125.52 1x6g s ARG 55 Ca -0.03 0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.83 1x6g s ARG 55 Cb -0.11 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1x6g s ARG 55 CO -0.13 -1.28 0.15 0.14 -0.81 0.00 0.00 175.30 173.37 1x6g s VAL 56 N 3.91 2.43 -0.17 7.11 -7.23 -1.17 -0.01 120.40 125.27 1x6g s VAL 56 Ca 0.38 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1x6g s VAL 56 Cb -0.10 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1x6g s VAL 56 CO 0.27 -0.05 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.08 1x6g s LYS 57 N -3.87 3.07 0.34 4.82 2.20 0.24 -3.27 119.74 123.28 1x6g s LYS 57 Ca 0.40 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 1x6g s LYS 57 Cb 0.03 -2.58 -0.10 0.00 -1.51 0.00 0.00 37.83 33.66 1x6g s LYS 57 CO 0.22 -0.11 1.31 -1.58 -0.36 0.00 0.00 175.35 174.82 1x6g s HIS 58 N 1.09 3.01 -0.16 4.03 5.65 -0.47 -1.69 115.29 126.75 1x6g s HIS 58 Ca -0.00 1.41 -0.14 0.00 0.25 0.00 0.00 55.06 56.59 1x6g s HIS 58 Cb -0.14 -3.68 -0.10 0.00 -1.18 0.00 0.00 32.58 27.48 1x6g s HIS 58 CO -0.07 -1.90 0.06 0.45 -0.65 0.00 0.00 174.74 172.63 1x6g h HIS 59 N 3.25 0.00 -0.05 3.88 3.86 -1.88 -2.45 115.15 121.77 1x6g h HIS 59 Ca -0.49 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.73 1x6g h HIS 59 Cb 1.23 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.67 1x6g h HIS 59 CO 0.55 0.58 -0.31 1.15 0.86 0.00 0.00 177.93 180.77 1x6g h THR 60 N -1.00 0.00 0.11 2.45 2.02 -1.93 -3.29 112.91 111.27 1x6g h THR 60 Ca -0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1x6g h THR 60 Cb 0.74 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1x6g h THR 60 CO -0.07 0.00 -0.05 0.77 0.37 0.00 0.00 175.52 176.54 1x6g h SER 61 N -0.35 -0.12 0.00 4.18 4.64 -1.98 -3.48 113.55 116.44 1x6g h SER 61 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1x6g h SER 61 Cb 0.39 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1x6g h SER 61 CO -0.23 -0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 1x6g n GLY 62 N 0.41 1.83 3.46 -0.77 0.00 -0.92 -5.06 105.19 104.14 1x6g n GLY 62 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.49 0.67 -3.90 1.61 6.02 -1.25 -4.84 117.38 115.20 1x6g n GLN 63 Ca 0.00 -2.82 -0.18 0.00 -0.01 0.00 0.00 57.00 53.99 1x6g n GLN 63 Cb 0.00 -0.13 -0.16 0.00 1.02 0.00 0.00 30.24 30.96 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 -4.29 0.30 0.33 -1.09 2.02 -1.26 -1.37 118.70 113.34 1x6g s GLU 64 Ca 0.50 0.10 -0.05 0.00 0.02 0.00 0.00 54.97 55.54 1x6g s GLU 64 Cb -0.04 -0.53 0.01 0.00 0.10 0.00 0.00 34.13 33.67 1x6g s GLU 64 CO 0.32 -0.16 0.50 0.20 0.02 0.00 0.00 175.26 176.13 1x6g s GLY 65 N 1.19 1.28 0.01 -1.39 0.00 -1.20 -4.83 107.32 102.37 1x6g s GLY 65 Ca -0.07 -1.38 -0.17 0.00 0.00 0.00 0.00 44.72 43.10 1x6g s GLY 65 CO -0.02 -0.90 0.47 1.08 0.00 0.00 0.00 173.10 173.73 1x6g s LEU 66 N -3.20 4.47 0.21 0.66 1.43 -1.26 -3.06 118.68 117.92 1x6g s LEU 66 Ca 0.28 1.04 0.11 0.00 -1.03 0.00 0.00 54.13 54.53 1x6g s LEU 66 Cb -0.01 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1x6g s LEU 66 CO 0.18 0.27 -0.21 -0.76 0.23 0.00 0.00 176.35 176.06 1x6g s LEU 67 N -0.87 2.48 -0.19 1.79 1.43 -0.50 -4.15 118.68 118.66 1x6g s LEU 67 Ca 0.26 -0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 52.20 1x6g s LEU 67 Cb -0.17 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1x6g s LEU 67 CO 0.15 0.04 0.80 0.00 0.23 0.00 0.00 176.35 177.57 1x6g s ALA 68 N -2.04 3.55 0.58 4.21 0.00 -1.26 -0.60 121.76 126.19 1x6g s ALA 68 Ca 0.22 -0.05 0.29 0.00 0.00 0.00 0.00 51.96 52.41 1x6g s ALA 68 Cb -0.06 -3.20 1.48 0.00 0.00 0.00 0.00 23.12 21.33 1x6g s ALA 68 CO 0.10 -0.70 1.91 0.00 0.00 0.00 0.00 175.76 177.06 1x6g h ALA 69 N 7.44 2.27 -0.82 0.00 0.00 -1.73 0.32 119.26 126.75 1x6g h ALA 69 Ca -0.28 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 1x6g h ALA 69 Cb 1.12 0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.71 1x6g h ALA 69 CO 0.84 -0.75 0.71 0.41 0.00 0.00 0.00 179.25 180.46 1x6g n GLY 70 N -1.54 5.19 0.81 0.00 0.00 -1.26 -3.84 105.19 104.55 1x6g n GLY 70 Ca 0.09 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.50 2.73 -2.47 4.61 0.00 0.11 -5.02 120.51 119.97 1x6g n ALA 71 Ca 0.51 -0.67 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1x6g n ALA 71 Cb 0.68 -0.28 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 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 2.41 0.24 0.00 1.43 -1.24 -3.01 118.68 118.52 1x6g s LEU 72 Ca 0.04 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.25 1x6g s LEU 72 Cb 0.05 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 1x6g s LEU 72 CO -0.02 -0.22 0.35 0.00 0.23 0.00 0.00 176.35 176.69 1x6g s ARG 73 N -2.81 1.47 -0.52 1.70 1.04 0.27 -4.81 118.95 115.29 1x6g s ARG 73 Ca 0.07 -1.46 -0.21 0.00 -1.04 0.00 0.00 55.73 53.09 1x6g s ARG 73 Cb -0.03 0.39 0.05 0.00 -2.04 0.00 0.00 34.95 33.32 1x6g s ARG 73 CO 0.01 -0.57 0.76 -2.00 -0.04 0.00 0.00 175.30 173.46 1x6g s GLU 74 N -3.94 3.21 -0.02 3.89 2.12 -1.26 -0.15 118.70 122.55 1x6g s GLU 74 Ca 0.30 -0.61 -0.38 0.00 0.36 0.00 0.00 54.97 54.63 1x6g s GLU 74 Cb 0.02 -4.08 -0.19 0.00 0.26 0.00 0.00 34.13 30.15 1x6g s GLU 74 CO 0.12 -1.33 1.03 -2.13 -0.54 0.00 0.00 175.26 172.41 1x6g n ARG 75 N 6.72 0.00 -0.07 4.30 0.63 -1.25 -4.88 116.66 122.11 1x6g n ARG 75 Ca -0.03 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.81 1x6g n ARG 75 Cb 0.46 -1.41 -0.03 0.00 0.45 0.00 0.00 32.46 31.93 1x6g n ARG 75 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x6g n SER 76 N 1.52 1.75 0.00 6.15 2.88 -1.26 -5.06 113.62 119.60 1x6g n SER 76 Ca 0.19 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1x6g n SER 76 Cb 0.07 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1x6g n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6g n GLY 77 N 1.85 0.10 0.16 0.46 0.00 -1.26 -4.95 105.19 101.55 1x6g n GLY 77 Ca -0.15 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 1x6g n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6g h PRO 78 N 0.00 0.49 -7.18 1.61 0.13 -2.05 -3.45 132.00 121.54 1x6g h PRO 78 Ca 0.00 -0.48 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 1x6g h PRO 78 Cb 0.00 0.12 0.20 0.00 0.13 0.00 0.00 31.00 31.46 1x6g h PRO 78 CO 0.00 1.12 0.05 -1.12 -0.23 0.00 0.00 178.00 177.82 1x6g s SER 79 N -6.80 1.31 -0.09 1.44 0.01 -1.26 -5.06 113.70 103.25 1x6g s SER 79 Ca -0.13 1.52 -0.11 0.00 1.31 0.00 0.00 55.95 58.55 1x6g s SER 79 Cb 0.05 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 64.04 1x6g s SER 79 CO 0.84 -4.00 0.30 -0.55 0.41 0.00 0.00 173.24 170.24 1x6g s SER 80 N -2.65 -0.28 0.00 2.44 0.15 -1.26 -5.02 113.70 107.08 1x6g s SER 80 Ca 0.68 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1x6g s SER 80 Cb -0.24 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1x6g s SER 80 CO 0.63 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.50