#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal s ILE 4 N 0.00 0.06 0.11 3.15 -5.25 -1.26 -5.14 121.20 112.88 2qal s ILE 4 Ca 0.00 -0.52 -0.30 0.00 -0.99 0.00 0.00 60.65 58.84 2qal s ILE 4 Cb 0.00 -0.36 -0.06 0.00 2.95 0.00 0.00 42.46 44.99 2qal s ILE 4 CO 0.00 -0.29 1.12 -0.13 -1.79 0.00 0.00 174.94 173.85 2qal s ARG 5 N -0.99 4.53 -0.13 0.37 0.52 -1.26 -5.04 118.95 116.96 2qal s ARG 5 Ca -0.11 1.70 -0.05 0.00 -0.52 0.00 0.00 55.73 56.74 2qal s ARG 5 Cb -0.06 -3.33 0.06 0.00 0.52 0.00 0.00 34.95 32.14 2qal s ARG 5 CO 0.01 -0.06 0.28 0.95 0.02 0.00 0.00 175.30 176.50 2qal s THR 6 N 0.38 -0.24 -0.07 0.02 -4.23 -1.26 -4.55 115.64 105.69 2qal s THR 6 Ca 0.53 0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 61.10 2qal s THR 6 Cb -0.28 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.07 2qal s THR 6 CO 0.32 0.09 0.39 -0.76 -0.54 0.00 0.00 174.62 174.11 2qal s LEU 7 N 1.88 4.38 -0.12 4.79 1.43 -0.80 -4.84 118.68 125.39 2qal s LEU 7 Ca -0.04 0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 2qal s LEU 7 Cb -0.11 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2qal s LEU 7 CO -0.09 0.21 -0.02 0.00 0.23 0.00 0.00 176.35 176.68 2qal s GLN 8 N -0.38 3.35 0.21 1.70 -2.07 -1.26 -1.47 119.66 119.75 2qal s GLN 8 Ca 0.22 -0.48 -0.14 0.00 -1.82 0.00 0.00 55.36 53.14 2qal s GLN 8 Cb -0.15 -2.85 0.01 0.00 -1.09 0.00 0.00 33.01 28.92 2qal s GLN 8 CO 0.10 0.44 0.47 0.20 -1.32 0.00 0.00 175.29 175.19 2qal s GLY 9 N -0.18 0.26 0.08 2.60 0.00 0.10 -4.86 107.32 105.32 2qal s GLY 9 Ca 0.04 -0.61 -0.27 0.00 0.00 0.00 0.00 44.72 43.89 2qal s GLY 9 CO 0.02 -0.50 0.83 1.09 0.00 0.00 0.00 173.10 174.54 2qal s ARG 10 N -3.95 4.58 0.04 2.90 1.70 -1.19 -0.68 118.95 122.35 2qal s ARG 10 Ca 0.16 1.21 -0.31 0.00 -0.47 0.00 0.00 55.73 56.32 2qal s ARG 10 Cb -0.00 -3.36 -0.06 0.00 -0.57 0.00 0.00 34.95 30.96 2qal s ARG 10 CO 0.03 0.29 1.35 0.08 -1.08 0.00 0.00 175.30 175.97 2qal s VAL 11 N -0.16 3.68 -0.07 4.99 1.01 -1.15 -2.15 120.40 126.55 2qal s VAL 11 Ca 0.41 1.14 0.18 0.00 0.00 0.00 0.00 61.98 63.71 2qal s VAL 11 Cb -0.22 -3.73 -0.27 0.00 0.00 0.00 0.00 36.38 32.16 2qal s VAL 11 CO 0.26 0.04 0.30 0.55 0.00 0.00 0.00 175.10 176.25 2qal n VAL 12 N 4.31 0.37 -3.76 2.92 3.14 -0.74 -0.63 118.33 123.94 2qal n VAL 12 Ca 0.12 -0.53 -0.13 0.00 -2.96 0.00 0.00 64.34 60.84 2qal n VAL 12 Cb 0.44 -0.12 -0.11 0.00 -1.06 0.00 0.00 33.84 32.99 2qal n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2qal s SER 13 N -4.47 -0.34 -0.46 6.55 0.15 -0.97 -4.93 113.70 109.25 2qal s SER 13 Ca -0.07 0.65 0.06 0.00 0.70 0.00 0.00 55.95 57.29 2qal s SER 13 Cb 0.10 0.66 0.22 0.00 -1.71 0.00 0.00 66.02 65.29 2qal s SER 13 CO 0.76 -0.11 0.66 -0.67 1.20 0.00 0.00 173.24 175.08 2qal n ASP 14 N 2.91 -1.77 0.00 5.45 4.64 -1.26 -1.30 116.55 125.21 2qal n ASP 14 Ca -0.13 -2.90 0.00 0.00 -1.38 0.00 0.00 54.79 50.38 2qal n ASP 14 Cb 0.58 0.74 0.00 0.00 -1.04 0.00 0.00 41.12 41.40 2qal n ASP 14 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2qal n LYS 15 N 2.04 0.82 -4.19 -0.67 5.02 -1.26 -4.95 118.16 114.97 2qal n LYS 15 Ca 0.18 -0.73 -0.24 0.00 -2.02 0.00 0.00 58.31 55.49 2qal n LYS 15 Cb 0.56 -0.71 -0.06 0.00 -0.02 0.00 0.00 35.03 34.80 2qal n LYS 15 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qal s MET 16 N -0.31 2.57 -0.23 1.97 -1.94 -1.25 -5.08 119.30 115.02 2qal s MET 16 Ca 0.00 -1.15 -0.29 0.00 -1.71 0.00 0.00 55.69 52.53 2qal s MET 16 Cb 0.00 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 2qal s MET 16 CO 0.00 0.42 1.27 -1.21 -0.01 0.00 0.00 175.02 175.49 2qal s GLU 17 N -3.41 4.08 0.00 2.03 2.02 -1.26 -3.26 118.70 118.91 2qal s GLU 17 Ca 0.30 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.75 2qal s GLU 17 Cb -0.08 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 30.33 2qal s GLU 17 CO 0.21 -0.90 0.00 1.63 0.02 0.00 0.00 175.26 176.22 2qal n LYS 18 N 6.94 0.00 -4.03 1.61 5.02 -1.26 -4.93 118.16 121.52 2qal n LYS 18 Ca 0.14 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.11 2qal n LYS 18 Cb 0.46 -3.64 -0.06 0.00 -0.02 0.00 0.00 35.03 31.76 2qal n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qal s SER 19 N -2.38 5.91 -0.14 4.39 0.01 -1.20 0.17 113.70 120.46 2qal s SER 19 Ca 0.00 0.20 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 2qal s SER 19 Cb 0.00 -1.75 0.05 0.00 0.21 0.00 0.00 66.02 64.53 2qal s SER 19 CO 0.00 0.25 0.34 -0.63 0.41 0.00 0.00 173.24 173.62 2qal s ILE 20 N -1.27 -0.02 -0.16 1.44 1.01 -0.72 -3.93 121.20 117.55 2qal s ILE 20 Ca 0.25 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.83 2qal s ILE 20 Cb -0.12 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 2qal s ILE 20 CO 0.17 0.03 0.33 -0.69 0.00 0.00 0.00 174.94 174.77 2qal s VAL 21 N 0.89 5.28 0.01 2.92 1.01 -0.42 -0.27 120.40 129.82 2qal s VAL 21 Ca -0.06 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.59 2qal s VAL 21 Cb -0.07 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2qal s VAL 21 CO -0.07 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.56 2qal s VAL 22 N 0.58 1.21 0.09 2.92 1.01 0.82 -1.80 120.40 125.24 2qal s VAL 22 Ca 0.18 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2qal s VAL 22 Cb -0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2qal s VAL 22 CO 0.05 0.23 0.14 0.00 0.00 0.00 0.00 175.10 175.51 2qal s ALA 23 N -0.54 3.72 -0.15 5.51 0.00 -0.91 -1.08 121.76 128.30 2qal s ALA 23 Ca 0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2qal s ALA 23 Cb -0.07 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.55 2qal s ALA 23 CO 0.00 0.73 0.10 0.96 0.00 0.00 0.00 175.76 177.55 2qal s ILE 24 N -1.49 -0.12 0.71 0.00 -4.36 -0.06 -3.14 121.20 112.74 2qal s ILE 24 Ca 0.31 -0.06 -0.11 0.00 -0.26 0.00 0.00 60.65 60.54 2qal s ILE 24 Cb -0.12 -0.51 0.02 0.00 1.25 0.00 0.00 42.46 43.09 2qal s ILE 24 CO 0.24 -0.20 1.07 -1.61 0.24 0.00 0.00 174.94 174.68 2qal s GLU 25 N 2.17 2.78 -0.30 0.37 2.02 -1.26 -0.81 118.70 123.67 2qal s GLU 25 Ca 0.03 0.90 -0.15 0.00 0.02 0.00 0.00 54.97 55.76 2qal s GLU 25 Cb -0.15 -1.98 0.15 0.00 0.10 0.00 0.00 34.13 32.26 2qal s GLU 25 CO -0.08 -1.20 0.96 -0.98 0.02 0.00 0.00 175.26 173.98 2qal s ARG 26 N -5.06 0.35 1.06 1.61 1.70 0.30 -4.90 118.95 114.00 2qal s ARG 26 Ca 0.59 0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 56.47 2qal s ARG 26 Cb -0.14 0.31 0.22 0.00 -0.57 0.00 0.00 34.95 34.77 2qal s ARG 26 CO 0.55 -0.10 1.07 -0.06 -1.08 0.00 0.00 175.30 175.68 2qal s PHE 27 N 2.02 1.81 -0.30 5.89 0.08 -1.26 -0.59 117.98 125.63 2qal s PHE 27 Ca -0.05 1.10 -0.18 0.00 0.12 0.00 0.00 56.93 57.91 2qal s PHE 27 Cb -0.05 -3.19 0.19 0.00 -0.57 0.00 0.00 43.02 39.40 2qal s PHE 27 CO -0.17 -3.25 1.23 0.54 -0.10 0.00 0.00 175.22 173.47 2qal s VAL 28 N -2.76 -0.09 0.14 -0.44 0.11 -0.95 -4.80 120.40 111.60 2qal s VAL 28 Ca 0.66 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.41 2qal s VAL 28 Cb -0.21 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.56 2qal s VAL 28 CO 0.60 0.00 1.29 -0.75 -3.33 0.00 0.00 175.10 172.92 2qal s LYS 29 N 1.81 4.39 0.03 1.54 2.20 -1.26 -0.76 119.74 127.69 2qal s LYS 29 Ca -0.02 1.97 -0.30 0.00 -0.36 0.00 0.00 55.97 57.25 2qal s LYS 29 Cb -0.02 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2qal s LYS 29 CO -0.15 -0.29 1.59 -1.58 -0.36 0.00 0.00 175.35 174.56 2qal s HIS 30 N 0.61 2.47 -0.45 4.03 5.65 -0.45 -4.84 115.29 122.31 2qal s HIS 30 Ca 0.59 0.43 0.00 0.00 0.25 0.00 0.00 55.06 56.33 2qal s HIS 30 Cb -0.34 -3.88 0.00 0.00 -1.18 0.00 0.00 32.58 27.18 2qal s HIS 30 CO 0.33 -3.50 0.06 -0.35 -0.65 0.00 0.00 174.74 170.64 2qal n PRO 31 N 5.75 0.08 0.00 2.88 -0.04 -1.26 -1.36 135.00 141.05 2qal n PRO 31 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2qal n PRO 31 Cb 0.42 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2qal n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2qal n ILE 32 N 0.73 0.00 0.02 0.52 3.06 -1.26 -4.97 119.36 117.47 2qal n ILE 32 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2qal n ILE 32 Cb 0.03 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.21 2qal n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2qal n TYR 33 N 0.00 0.00 0.00 9.51 0.53 -0.99 -5.02 117.16 121.19 2qal n TYR 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2qal n TYR 33 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 2qal n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qal n GLY 34 N 0.91 1.10 2.59 2.72 0.00 -0.47 -4.85 105.19 107.19 2qal n GLY 34 Ca 0.00 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2qal n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qal n LYS 35 N 0.00 0.00 -2.89 1.61 3.00 -1.26 -2.80 118.16 115.82 2qal n LYS 35 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 2qal n LYS 35 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 35.03 33.91 2qal n LYS 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2qal s PHE 36 N 0.81 3.52 -0.05 5.64 0.40 -1.26 -1.34 117.98 125.70 2qal s PHE 36 Ca 0.69 1.36 0.01 0.00 -0.60 0.00 0.00 56.93 58.39 2qal s PHE 36 Cb -0.98 -2.98 -0.03 0.00 0.51 0.00 0.00 43.02 39.54 2qal s PHE 36 CO 0.48 -0.10 -0.04 0.42 0.70 0.00 0.00 175.22 176.68 2qal s ILE 37 N 1.51 3.90 -0.67 0.64 1.09 0.06 -4.81 121.20 122.91 2qal s ILE 37 Ca 0.41 -0.48 -0.23 0.00 -1.10 0.00 0.00 60.65 59.25 2qal s ILE 37 Cb -0.18 -2.64 0.06 0.00 -1.06 0.00 0.00 42.46 38.65 2qal s ILE 37 CO 0.17 0.54 1.01 -0.75 -0.10 0.00 0.00 174.94 175.82 2qal s LYS 38 N -1.01 3.12 0.40 2.79 2.20 -1.26 -2.25 119.74 123.73 2qal s LYS 38 Ca 0.14 -0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 54.99 2qal s LYS 38 Cb -0.11 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 31.95 2qal s LYS 38 CO 0.04 -1.87 0.65 1.03 -0.36 0.00 0.00 175.35 174.83 2qal s ARG 39 N 4.32 3.51 0.04 4.03 3.00 0.24 -4.80 118.95 129.30 2qal s ARG 39 Ca 0.24 -0.10 0.04 0.00 0.00 0.00 0.00 55.73 55.90 2qal s ARG 39 Cb -0.15 -2.54 -0.02 0.00 0.00 0.00 0.00 34.95 32.23 2qal s ARG 39 CO 0.11 0.01 -0.11 0.99 0.00 0.00 0.00 175.30 176.30 2qal s THR 40 N -2.48 0.82 -0.03 0.02 2.01 -1.26 0.11 115.64 114.83 2qal s THR 40 Ca 0.43 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.44 2qal s THR 40 Cb -0.10 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 2qal s THR 40 CO 0.39 -0.20 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.05 2qal s THR 41 N -1.10 1.55 -0.35 -0.82 2.01 0.01 -4.89 115.64 112.04 2qal s THR 41 Ca -0.04 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 2qal s THR 41 Cb -0.09 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.15 2qal s THR 41 CO 0.01 0.44 0.14 -0.54 -0.69 0.00 0.00 174.62 173.98 2qal s LYS 42 N -0.20 2.69 0.17 4.92 1.02 -1.26 -0.88 119.74 126.20 2qal s LYS 42 Ca 0.01 -1.14 0.08 0.00 0.02 0.00 0.00 55.97 54.94 2qal s LYS 42 Cb -0.10 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2qal s LYS 42 CO 0.01 -0.68 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.21 2qal s LEU 43 N 1.46 3.16 -0.93 3.17 1.02 -0.24 -4.95 118.68 121.37 2qal s LEU 43 Ca -0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.67 2qal s LEU 43 Cb -0.19 -1.84 0.27 0.00 0.02 0.00 0.00 46.19 44.44 2qal s LEU 43 CO 0.04 0.10 1.07 1.41 0.02 0.00 0.00 176.35 178.99 2qal n HIS 44 N 0.00 3.48 -0.67 0.29 8.25 -1.26 -0.13 115.22 125.19 2qal n HIS 44 Ca -0.10 -3.55 -0.31 0.00 -0.26 0.00 0.00 57.72 53.49 2qal n HIS 44 Cb 0.55 -1.10 0.17 0.00 1.12 0.00 0.00 29.99 30.73 2qal n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2qal n VAL 45 N 1.63 0.00 -3.73 1.59 0.31 0.62 -4.46 118.33 114.30 2qal n VAL 45 Ca 0.25 -0.12 -0.37 0.00 -0.01 0.00 0.00 64.34 64.10 2qal n VAL 45 Cb 0.37 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 32.29 2qal n VAL 45 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2qal s HIS 46 N -2.54 3.21 -0.59 3.52 2.46 0.24 -1.76 115.29 119.83 2qal s HIS 46 Ca 0.65 -0.00 0.06 0.00 0.47 0.00 0.00 55.06 56.23 2qal s HIS 46 Cb -0.23 -2.26 0.21 0.00 -0.13 0.00 0.00 32.58 30.17 2qal s HIS 46 CO 0.61 -0.10 0.56 -3.47 -2.47 0.00 0.00 174.74 169.88 2qal n ASP 47 N 4.56 2.34 0.07 9.88 4.64 0.46 -2.15 116.55 136.35 2qal n ASP 47 Ca -0.15 -3.09 0.18 0.00 -1.38 0.00 0.00 54.79 50.35 2qal n ASP 47 Cb 0.52 -0.68 0.70 0.00 -1.04 0.00 0.00 41.12 40.62 2qal n ASP 47 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2qal h GLU 48 N 4.81 0.00 -0.00 -0.67 4.22 -1.95 -1.43 114.58 119.55 2qal h GLU 48 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.61 2qal h GLU 48 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2qal h GLU 48 CO 0.67 0.00 -0.80 0.09 -2.18 0.00 0.00 179.01 176.79 2qal n ASN 49 N -4.29 1.01 -0.35 1.04 4.13 -1.26 -4.79 115.26 110.75 2qal n ASN 49 Ca 0.07 -0.89 -0.05 0.00 1.68 0.00 0.00 54.58 55.39 2qal n ASN 49 Cb 0.49 0.74 -0.02 0.00 -1.54 0.00 0.00 39.78 39.45 2qal n ASN 49 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qal n ASN 50 N -1.29 -5.73 -0.28 6.41 4.13 -0.54 -4.84 115.26 113.12 2qal n ASN 50 Ca 0.05 0.11 0.09 0.00 1.68 0.00 0.00 54.58 56.52 2qal n ASN 50 Cb 0.35 -3.63 0.24 0.00 -1.54 0.00 0.00 39.78 35.20 2qal n ASN 50 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2qal h GLU 51 N 0.04 0.31 -6.47 3.52 4.11 -1.92 -3.41 114.58 110.76 2qal h GLU 51 Ca -0.09 -0.02 -0.53 0.00 0.07 0.00 0.00 59.36 58.79 2qal h GLU 51 Cb 1.02 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2qal h GLU 51 CO 0.14 0.20 -0.09 0.00 0.07 0.00 0.00 179.01 179.33 2qal n GLY 53 N -0.18 6.15 3.76 0.00 0.00 -1.26 -5.07 105.19 108.59 2qal n GLY 53 Ca 0.01 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 2qal n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qal s ILE 54 N 0.87 3.90 0.00 -0.61 2.07 -1.26 -3.30 121.20 122.88 2qal s ILE 54 Ca 0.00 1.82 0.00 0.00 -1.41 0.00 0.00 60.65 61.06 2qal s ILE 54 Cb 0.00 -4.12 0.00 0.00 0.13 0.00 0.00 42.46 38.47 2qal s ILE 54 CO 0.00 0.36 0.00 0.61 -1.91 0.00 0.00 174.94 174.00 2qal n GLY 55 N 1.15 2.97 3.61 1.50 0.00 0.20 -4.70 105.19 109.92 2qal n GLY 55 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2qal n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qal s ASP 56 N -0.80 5.67 -0.69 1.61 1.11 -1.21 -4.19 116.67 118.16 2qal s ASP 56 Ca 0.00 1.96 -0.26 0.00 0.18 0.00 0.00 52.55 54.43 2qal s ASP 56 Cb 0.00 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.40 2qal s ASP 56 CO 0.00 -1.78 2.18 -0.69 1.18 0.00 0.00 175.17 176.06 2qal s VAL 57 N 7.51 3.19 0.39 -1.27 1.01 -1.00 -2.95 120.40 127.28 2qal s VAL 57 Ca 0.96 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.98 2qal s VAL 57 Cb -0.33 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2qal s VAL 57 CO 0.36 -0.44 0.51 0.68 0.00 0.00 0.00 175.10 176.21 2qal s VAL 58 N 11.70 3.40 -0.01 2.92 -7.23 0.14 -0.57 120.40 130.74 2qal s VAL 58 Ca 0.83 -1.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.02 2qal s VAL 58 Cb -0.12 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.65 2qal s VAL 58 CO 0.14 -0.06 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.01 2qal s GLU 59 N -4.26 1.27 0.27 4.82 2.12 -0.89 0.01 118.70 122.04 2qal s GLU 59 Ca 0.51 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.30 2qal s GLU 59 Cb -0.09 -1.23 -0.03 0.00 0.26 0.00 0.00 34.13 33.04 2qal s GLU 59 CO 0.32 0.33 0.25 0.96 -0.54 0.00 0.00 175.26 176.58 2qal s ILE 60 N -0.35 0.00 0.07 -3.70 -0.00 -0.54 -0.31 121.20 116.36 2qal s ILE 60 Ca 0.06 -1.92 -0.02 0.00 -0.00 0.00 0.00 60.65 58.77 2qal s ILE 60 Cb -0.06 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.46 39.87 2qal s ILE 60 CO -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 174.94 174.96 2qal s ARG 61 N -3.73 0.71 0.49 0.37 1.04 -1.07 -1.90 118.95 114.86 2qal s ARG 61 Ca 0.38 -1.21 -0.20 0.00 -1.04 0.00 0.00 55.73 53.65 2qal s ARG 61 Cb 0.04 0.24 -0.08 0.00 -2.04 0.00 0.00 34.95 33.11 2qal s ARG 61 CO 0.19 -0.16 1.05 -2.00 -0.04 0.00 0.00 175.30 174.34 2qal s GLU 62 N -3.93 3.75 0.00 3.89 2.12 -1.26 -2.11 118.70 121.15 2qal s GLU 62 Ca 0.10 1.37 0.00 0.00 0.36 0.00 0.00 54.97 56.80 2qal s GLU 62 Cb 0.07 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.38 2qal s GLU 62 CO -0.08 -0.48 0.00 0.00 -0.54 0.00 0.00 175.26 174.16 2qal s ARG 64 N -1.98 3.67 -0.69 0.00 3.52 -1.26 -4.71 118.95 117.50 2qal s ARG 64 Ca 0.00 2.40 -0.26 0.00 -0.13 0.00 0.00 55.73 57.74 2qal s ARG 64 Cb 0.00 -2.64 -0.09 0.00 -1.56 0.00 0.00 34.95 30.65 2qal s ARG 64 CO 0.00 -0.83 2.31 -1.25 -0.81 0.00 0.00 175.30 174.72 2qal s PRO 65 N -2.46 1.96 0.59 5.12 0.04 -1.26 -4.65 135.00 134.34 2qal s PRO 65 Ca 0.61 0.72 0.35 0.00 0.04 0.00 0.00 61.00 62.72 2qal s PRO 65 Cb -0.43 -4.72 1.88 0.00 0.04 0.00 0.00 34.50 31.27 2qal s PRO 65 CO 0.56 -3.80 2.21 -0.07 0.04 0.00 0.00 177.00 175.94 2qal h LEU 66 N 20.54 0.00 0.00 -3.56 3.38 -1.75 -3.46 115.31 130.46 2qal h LEU 66 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qal h LEU 66 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2qal h LEU 66 CO 1.10 0.04 0.00 -0.24 0.09 0.00 0.00 178.44 179.42 2qal n SER 67 N -3.38 0.00 -4.52 -0.43 2.88 -1.02 -5.05 113.62 102.10 2qal n SER 67 Ca -0.02 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.14 2qal n SER 67 Cb 0.16 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.66 2qal n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2qal n LYS 68 N -0.15 0.64 -3.64 -1.46 4.81 -1.26 -1.04 118.16 116.06 2qal n LYS 68 Ca 0.00 0.25 -0.25 0.00 -0.87 0.00 0.00 58.31 57.44 2qal n LYS 68 Cb 0.00 -1.87 -0.04 0.00 0.02 0.00 0.00 35.03 33.14 2qal n LYS 68 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2qal n THR 69 N -1.73 -0.14 -3.36 3.15 -2.24 -1.26 -4.86 114.28 103.84 2qal n THR 69 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2qal n THR 69 Cb 0.48 -0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.16 2qal n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qal s LYS 70 N -6.26 0.48 0.00 -0.78 2.20 -0.21 -4.26 119.74 110.92 2qal s LYS 70 Ca 0.47 0.98 0.02 0.00 -0.36 0.00 0.00 55.97 57.09 2qal s LYS 70 Cb -0.27 0.33 0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2qal s LYS 70 CO 0.58 -0.50 0.78 0.45 -0.36 0.00 0.00 175.35 176.30 2qal n SER 71 N 5.41 -0.09 -4.00 1.43 2.88 -1.26 -2.14 113.62 115.85 2qal n SER 71 Ca -0.05 -1.52 -0.19 0.00 -1.33 0.00 0.00 58.87 55.78 2qal n SER 71 Cb 0.50 -0.02 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 2qal n SER 71 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2qal s TRP 72 N 0.00 0.83 -0.07 0.66 0.52 -1.26 -0.58 118.94 119.05 2qal s TRP 72 Ca 0.03 -0.18 0.05 0.00 0.02 0.00 0.00 56.10 56.02 2qal s TRP 72 Cb 0.04 -0.58 -0.01 0.00 -1.15 0.00 0.00 33.47 31.77 2qal s TRP 72 CO -0.02 -0.06 -0.22 0.99 0.02 0.00 0.00 176.95 177.67 2qal s THR 73 N 0.03 2.35 0.16 2.01 2.01 -0.90 0.81 115.64 122.11 2qal s THR 73 Ca -0.00 -0.96 -0.32 0.00 0.31 0.00 0.00 61.69 60.73 2qal s THR 73 Cb -0.06 -1.89 -0.11 0.00 0.01 0.00 0.00 72.50 70.46 2qal s THR 73 CO 0.00 0.57 1.67 -0.22 -0.69 0.00 0.00 174.62 175.94 2qal s LEU 74 N -0.15 4.37 -0.21 4.42 1.98 -0.91 -2.60 118.68 125.57 2qal s LEU 74 Ca -0.03 2.71 -0.19 0.00 -2.89 0.00 0.00 54.13 53.73 2qal s LEU 74 Cb -0.14 -3.59 -0.19 0.00 0.66 0.00 0.00 46.19 42.94 2qal s LEU 74 CO 0.04 -0.91 0.15 1.33 -1.89 0.00 0.00 176.35 175.07 2qal n VAL 75 N 4.17 1.55 -3.60 1.68 0.24 0.58 -4.96 118.33 117.98 2qal n VAL 75 Ca 0.15 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 62.24 2qal n VAL 75 Cb 0.37 -1.99 -0.06 0.00 -1.47 0.00 0.00 33.84 30.69 2qal n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qal s ARG 76 N -2.40 0.49 0.44 7.34 1.70 -1.19 -5.04 118.95 120.29 2qal s ARG 76 Ca -0.30 0.23 -0.21 0.00 -0.47 0.00 0.00 55.73 54.99 2qal s ARG 76 Cb 0.07 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.58 2qal s ARG 76 CO 0.59 -0.13 0.98 0.08 -1.08 0.00 0.00 175.30 175.74 2qal s VAL 77 N -0.72 4.21 0.00 4.99 1.01 -1.26 -2.10 120.40 126.53 2qal s VAL 77 Ca 0.01 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2qal s VAL 77 Cb -0.02 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2qal s VAL 77 CO -0.02 -0.29 0.63 0.52 0.00 0.00 0.00 175.10 175.94 2qal n VAL 78 N -0.72 0.35 -3.39 2.92 0.31 0.26 -4.93 118.33 113.14 2qal n VAL 78 Ca 0.08 -0.59 0.03 0.00 -0.01 0.00 0.00 64.34 63.84 2qal n VAL 78 Cb 0.53 0.92 -0.05 0.00 -0.91 0.00 0.00 33.84 34.33 2qal n VAL 78 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2qal s GLU 79 N -0.35 0.03 -0.13 5.55 2.56 -1.18 -4.90 118.70 120.28 2qal s GLU 79 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.97 54.99 2qal s GLU 79 Cb 0.00 0.03 -0.13 0.00 2.00 0.00 0.00 34.13 36.03 2qal s GLU 79 CO 0.00 -0.01 3.13 1.63 -0.56 0.00 0.00 175.26 179.45 2qal n LYS 80 N 3.86 1.97 -1.59 4.30 4.01 -1.26 -2.37 118.16 127.07 2qal n LYS 80 Ca -0.11 -1.25 0.00 0.00 -0.51 0.00 0.00 58.31 56.44 2qal n LYS 80 Cb 0.56 -1.90 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 2qal n LYS 80 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qal n ALA 81 N 1.85 -1.97 1.46 7.82 0.00 -1.26 -4.87 120.51 123.54 2qal n ALA 81 Ca 0.39 0.49 0.14 0.00 0.00 0.00 0.00 53.44 54.45 2qal n ALA 81 Cb 0.76 -1.48 0.49 0.00 0.00 0.00 0.00 19.45 19.22 2qal n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05