#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7k n SER 2 N 0.00 -0.17 -3.97 1.61 2.88 -1.26 -5.00 113.62 107.71 2e7k n SER 2 Ca 0.00 0.68 -0.29 0.00 -1.33 0.00 0.00 58.87 57.92 2e7k n SER 2 Cb 0.00 -1.32 -0.16 0.00 -0.75 0.00 0.00 64.21 61.98 2e7k n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e7k s SER 3 N -1.46 2.94 0.00 -3.46 0.15 -1.26 -5.11 113.70 105.51 2e7k s SER 3 Ca 0.71 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2e7k s SER 3 Cb -0.37 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2e7k s SER 3 CO 0.52 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2e7k n GLY 4 N 4.78 -1.48 3.99 9.45 0.00 -1.26 -4.64 105.19 116.03 2e7k n GLY 4 Ca -0.14 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2e7k n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e7k n SER 5 N 0.00 -1.42 -4.06 1.61 3.41 -1.26 -4.87 113.62 107.03 2e7k n SER 5 Ca 0.00 -1.02 -0.31 0.00 -0.26 0.00 0.00 58.87 57.28 2e7k n SER 5 Cb 0.00 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 62.48 2e7k n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e7k s SER 6 N -2.88 2.86 0.00 4.04 0.01 -1.26 -5.12 113.70 111.34 2e7k s SER 6 Ca 0.67 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2e7k s SER 6 Cb -0.39 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.55 2e7k s SER 6 CO 0.84 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.06 2e7k n GLY 7 N 4.72 -2.46 3.03 3.44 0.00 -1.26 -4.96 105.19 107.69 2e7k n GLY 7 Ca -0.18 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 2e7k n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e7k s ARG 8 N 0.00 1.74 0.20 1.61 3.52 0.63 -4.92 118.95 121.72 2e7k s ARG 8 Ca 0.00 -2.06 -0.30 0.00 -0.13 0.00 0.00 55.73 53.25 2e7k s ARG 8 Cb 0.00 -3.33 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 2e7k s ARG 8 CO 0.00 -1.01 1.10 -1.64 -0.81 0.00 0.00 175.30 172.94 2e7k s MET 9 N 0.65 4.60 -0.12 5.12 -1.94 -1.26 -1.84 119.30 124.52 2e7k s MET 9 Ca 0.12 1.74 -0.01 0.00 -1.71 0.00 0.00 55.69 55.83 2e7k s MET 9 Cb -0.21 -3.26 0.03 0.00 2.01 0.00 0.00 34.83 33.40 2e7k s MET 9 CO -0.05 0.11 -0.04 0.08 -0.01 0.00 0.00 175.02 175.11 2e7k s VAL 10 N -0.45 0.78 -0.25 -6.03 1.01 -0.99 -4.96 120.40 109.51 2e7k s VAL 10 Ca 0.48 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 2e7k s VAL 10 Cb -0.30 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2e7k s VAL 10 CO 0.36 0.23 0.69 -0.83 0.00 0.00 0.00 175.10 175.56 2e7k s GLY 11 N 1.80 1.79 0.17 4.51 0.00 -1.26 -2.65 107.32 111.69 2e7k s GLY 11 Ca 0.04 -0.35 0.07 0.00 0.00 0.00 0.00 44.72 44.48 2e7k s GLY 11 CO -0.07 1.56 0.04 -0.42 0.00 0.00 0.00 173.10 174.21 2e7k s ILE 12 N 2.62 3.93 -0.58 0.90 1.01 -0.78 -4.95 121.20 123.35 2e7k s ILE 12 Ca 0.29 -1.34 0.04 0.00 0.00 0.00 0.00 60.65 59.64 2e7k s ILE 12 Cb -0.15 -2.99 0.15 0.00 0.01 0.00 0.00 42.46 39.48 2e7k s ILE 12 CO 0.08 -0.12 0.37 -0.13 0.00 0.00 0.00 174.94 175.14 2e7k s ARG 13 N -3.01 1.99 0.42 2.79 1.81 -1.26 -2.58 118.95 119.11 2e7k s ARG 13 Ca 0.29 -2.80 0.07 0.00 -1.72 0.00 0.00 55.73 51.56 2e7k s ARG 13 Cb -0.09 -3.03 -0.05 0.00 -0.45 0.00 0.00 34.95 31.32 2e7k s ARG 13 CO 0.20 -1.22 0.16 -1.59 -0.68 0.00 0.00 175.30 172.17 2e7k s LYS 14 N -0.68 2.19 0.00 3.54 -2.85 -1.24 -5.05 119.74 115.66 2e7k s LYS 14 Ca 0.22 -1.90 -0.00 0.00 -1.00 0.00 0.00 55.97 53.28 2e7k s LYS 14 Cb -0.13 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.67 2e7k s LYS 14 CO -0.09 -0.13 0.10 0.99 0.10 0.00 0.00 175.35 176.32 2e7k s THR 15 N -2.63 4.84 -0.87 3.79 2.01 -1.26 -3.16 115.64 118.36 2e7k s THR 15 Ca 0.39 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 2e7k s THR 15 Cb 0.04 -3.24 -0.22 0.00 0.01 0.00 0.00 72.50 69.10 2e7k s THR 15 CO 0.21 0.32 2.38 0.00 -0.69 0.00 0.00 174.62 176.84 2e7k n ALA 16 N 1.05 0.69 0.00 7.40 0.00 -1.26 -2.52 120.51 125.87 2e7k n ALA 16 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2e7k n ALA 16 Cb 0.52 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2e7k n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e7k n GLY 17 N 6.14 0.61 3.04 0.00 0.00 -0.73 -5.00 105.19 109.26 2e7k n GLY 17 Ca 0.57 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2e7k n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e7k s GLU 18 N -0.41 0.28 -0.09 1.61 0.41 -1.05 -5.05 118.70 114.40 2e7k s GLU 18 Ca 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 54.97 54.49 2e7k s GLU 18 Cb 0.00 0.12 -0.03 0.00 -1.78 0.00 0.00 34.13 32.44 2e7k s GLU 18 CO 0.00 -0.05 -0.05 -1.01 -0.49 0.00 0.00 175.26 173.66 2e7k s HIS 19 N -0.51 3.01 -0.08 1.61 3.76 -1.26 -4.15 115.29 117.67 2e7k s HIS 19 Ca -0.06 0.00 -0.27 0.00 -0.15 0.00 0.00 55.06 54.58 2e7k s HIS 19 Cb -0.04 -1.77 -0.24 0.00 1.11 0.00 0.00 32.58 31.64 2e7k s HIS 19 CO 0.01 0.29 1.00 -0.07 -0.85 0.00 0.00 174.74 175.12 2e7k h LEU 20 N 5.50 0.06 0.00 0.89 3.38 -2.00 -3.45 115.31 119.69 2e7k h LEU 20 Ca -0.46 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 56.73 2e7k h LEU 20 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2e7k h LEU 20 CO 0.55 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2e7k n GLY 21 N 1.02 0.66 3.09 0.83 0.00 -1.26 -3.26 105.19 106.27 2e7k n GLY 21 Ca -0.09 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 2e7k n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e7k s VAL 22 N -1.07 0.20 -0.15 1.61 -7.23 -1.26 -0.10 120.40 112.41 2e7k s VAL 22 Ca 0.00 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2e7k s VAL 22 Cb 0.00 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.57 2e7k s VAL 22 CO 0.00 -0.93 -0.14 0.42 -0.31 0.00 0.00 175.10 174.14 2e7k s THR 23 N -3.69 1.59 0.06 5.32 -4.23 0.71 -4.91 115.64 110.49 2e7k s THR 23 Ca 0.05 -0.67 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 2e7k s THR 23 Cb 0.06 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.35 2e7k s THR 23 CO -0.09 0.44 0.26 -0.36 -0.54 0.00 0.00 174.62 174.32 2e7k s PHE 24 N 1.47 3.53 0.14 3.99 0.08 -1.26 0.12 117.98 126.05 2e7k s PHE 24 Ca 0.04 0.40 0.09 0.00 0.12 0.00 0.00 56.93 57.58 2e7k s PHE 24 Cb -0.13 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 2e7k s PHE 24 CO -0.11 0.57 -0.20 -0.98 -0.10 0.00 0.00 175.22 174.40 2e7k s ARG 25 N -2.31 1.23 -0.55 0.44 1.70 0.27 -4.75 118.95 114.98 2e7k s ARG 25 Ca 0.34 -1.32 -0.18 0.00 -0.47 0.00 0.00 55.73 54.10 2e7k s ARG 25 Cb -0.13 -1.39 0.10 0.00 -0.57 0.00 0.00 34.95 32.96 2e7k s ARG 25 CO 0.23 0.30 0.60 0.08 -1.08 0.00 0.00 175.30 175.44 2e7k s VAL 26 N -1.66 4.99 -0.16 4.99 1.01 -1.26 -2.18 120.40 126.12 2e7k s VAL 26 Ca 0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2e7k s VAL 26 Cb -0.08 -4.38 0.05 0.00 0.00 0.00 0.00 36.38 31.97 2e7k s VAL 26 CO 0.06 -0.95 0.01 -1.83 0.00 0.00 0.00 175.10 172.39 2e7k s GLU 27 N 2.25 0.76 0.00 2.72 4.04 -0.86 -4.78 118.70 122.83 2e7k s GLU 27 Ca 0.09 -0.31 0.00 0.00 0.04 0.00 0.00 54.97 54.78 2e7k s GLU 27 Cb -0.25 -1.83 0.00 0.00 0.02 0.00 0.00 34.13 32.07 2e7k s GLU 27 CO 0.06 -0.53 0.00 0.41 -1.84 0.00 0.00 175.26 173.36 2e7k n GLY 28 N 5.05 0.38 3.27 -3.83 0.00 -1.26 -3.42 105.19 105.37 2e7k n GLY 28 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2e7k n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7k n GLY 29 N -2.13 3.03 4.00 -0.02 0.00 -1.26 -4.99 105.19 103.82 2e7k n GLY 29 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2e7k n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e7k s GLU 30 N -0.16 2.69 0.01 1.61 -1.05 -1.22 -4.66 118.70 115.92 2e7k s GLU 30 Ca 0.00 -1.18 0.03 0.00 -0.15 0.00 0.00 54.97 53.68 2e7k s GLU 30 Cb 0.00 -2.68 -0.03 0.00 -0.44 0.00 0.00 34.13 30.97 2e7k s GLU 30 CO 0.00 -0.45 -0.06 -0.51 0.95 0.00 0.00 175.26 175.19 2e7k s LEU 31 N -4.49 3.20 -0.07 1.83 1.43 -1.26 -2.03 118.68 117.29 2e7k s LEU 31 Ca 0.56 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.43 2e7k s LEU 31 Cb -0.10 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.30 2e7k s LEU 31 CO 0.35 0.27 0.22 0.54 0.23 0.00 0.00 176.35 177.96 2e7k s VAL 32 N -1.03 0.02 -0.81 -1.59 0.11 -0.93 -2.49 120.40 113.68 2e7k s VAL 32 Ca 0.18 -0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.84 2e7k s VAL 32 Cb -0.11 -0.36 -0.10 0.00 -1.53 0.00 0.00 36.38 34.28 2e7k s VAL 32 CO 0.09 -0.07 2.24 -0.63 -3.33 0.00 0.00 175.10 173.40 2e7k s ILE 33 N -0.19 3.16 0.23 7.04 1.01 -0.91 -0.56 121.20 130.98 2e7k s ILE 33 Ca -0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 2e7k s ILE 33 Cb -0.03 -3.37 0.19 0.00 0.01 0.00 0.00 42.46 39.26 2e7k s ILE 33 CO 0.01 -0.35 1.85 0.00 0.00 0.00 0.00 174.94 176.45 2e7k h ALA 34 N 12.59 1.09 -2.49 9.38 0.00 0.67 -2.68 119.26 137.82 2e7k h ALA 34 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2e7k h ALA 34 Cb 1.02 -0.23 -0.17 0.00 0.00 0.00 0.00 17.79 18.40 2e7k h ALA 34 CO 1.09 0.27 -0.10 0.50 0.00 0.00 0.00 179.25 181.00 2e7k s ARG 35 N -6.08 0.90 -0.29 0.00 3.52 -0.91 -4.82 118.95 111.27 2e7k s ARG 35 Ca -0.13 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.21 2e7k s ARG 35 Cb 0.17 0.41 0.07 0.00 -1.56 0.00 0.00 34.95 34.04 2e7k s ARG 35 CO 0.78 -0.30 -0.05 0.42 -0.81 0.00 0.00 175.30 175.34 2e7k s ILE 36 N -2.25 2.26 -0.47 4.11 1.01 -1.26 -0.20 121.20 124.40 2e7k s ILE 36 Ca -0.07 -1.87 -0.42 0.00 0.00 0.00 0.00 60.65 58.29 2e7k s ILE 36 Cb -0.01 -2.45 -0.18 0.00 0.01 0.00 0.00 42.46 39.83 2e7k s ILE 36 CO -0.01 -0.23 2.11 0.18 0.00 0.00 0.00 174.94 176.99 2e7k n LEU 37 N 4.38 1.07 -4.69 2.97 4.77 0.86 -4.74 117.00 121.62 2e7k n LEU 37 Ca -0.08 0.67 -0.53 0.00 -0.03 0.00 0.00 56.01 56.04 2e7k n LEU 37 Cb 0.42 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 2e7k n LEU 37 CO 0.22 -0.76 1.43 0.00 -1.33 0.00 0.00 177.39 176.94 2e7k n HIS 38 N 7.68 2.19 -0.81 -1.77 1.44 -1.26 -4.14 115.22 118.55 2e7k n HIS 38 Ca 0.50 0.25 0.00 0.00 -2.01 0.00 0.00 57.72 56.47 2e7k n HIS 38 Cb 0.01 -2.57 0.00 0.00 0.12 0.00 0.00 29.99 27.55 2e7k n HIS 38 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2e7k n GLY 39 N 4.37 -1.59 0.00 -1.39 0.00 -1.26 -5.10 105.19 100.22 2e7k n GLY 39 Ca 0.25 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2e7k n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7k n GLY 40 N 0.16 -1.28 0.00 -0.02 0.00 -1.26 -4.95 105.19 97.84 2e7k n GLY 40 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2e7k n GLY 40 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2e7k n MET 41 N -0.00 0.00 -0.24 1.61 0.00 -1.20 -1.91 117.12 115.38 2e7k n MET 41 Ca 0.00 0.45 -0.01 0.00 -0.00 0.00 0.00 57.70 58.15 2e7k n MET 41 Cb 0.00 -1.38 0.11 0.00 0.00 0.00 0.00 33.22 31.96 2e7k n MET 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2e7k h VAL 42 N 0.00 0.94 -1.00 1.12 2.07 -1.89 -1.63 116.25 115.86 2e7k h VAL 42 Ca 0.00 -0.24 0.29 0.00 0.82 0.00 0.00 66.70 67.57 2e7k h VAL 42 Cb 0.00 0.19 -0.14 0.00 -1.52 0.00 0.00 31.29 29.82 2e7k h VAL 42 CO 0.00 0.13 0.57 0.00 0.02 0.00 0.00 177.57 178.28 2e7k h ALA 43 N 1.38 1.87 0.11 1.67 0.00 -1.82 -2.65 119.26 119.82 2e7k h ALA 43 Ca 0.32 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2e7k h ALA 43 Cb 0.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2e7k h ALA 43 CO -0.21 -0.45 -0.05 1.96 0.00 0.00 0.00 179.25 180.50 2e7k h GLN 44 N 0.42 -0.15 -6.03 0.00 1.08 -0.60 -3.44 115.11 106.40 2e7k h GLN 44 Ca 0.69 0.01 -0.69 0.00 -1.45 0.00 0.00 58.65 57.22 2e7k h GLN 44 Cb 1.48 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.93 2e7k h GLN 44 CO -0.56 -0.10 1.32 0.00 -0.95 0.00 0.00 178.83 178.54 2e7k n GLN 45 N -3.44 1.08 0.00 1.46 10.64 -0.97 -4.77 117.38 121.38 2e7k n GLN 45 Ca -0.02 0.32 0.04 0.00 -1.83 0.00 0.00 57.00 55.51 2e7k n GLN 45 Cb 0.06 -2.35 0.24 0.00 -0.86 0.00 0.00 30.24 27.33 2e7k n GLN 45 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2e7k n GLY 46 N 6.15 -0.44 0.47 2.61 0.00 -1.26 -3.23 105.19 109.49 2e7k n GLY 46 Ca 0.39 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 2e7k n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2e7k h LEU 47 N 0.00 -1.00 -9.76 0.99 3.38 -1.87 -3.42 115.31 103.62 2e7k h LEU 47 Ca 0.00 0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.45 2e7k h LEU 47 Cb 0.04 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2e7k h LEU 47 CO 0.00 -0.68 0.05 -0.76 0.09 0.00 0.00 178.44 177.14 2e7k s LEU 48 N -9.92 4.48 0.20 1.67 1.43 -1.20 -5.07 118.68 110.27 2e7k s LEU 48 Ca -0.18 1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 2e7k s LEU 48 Cb 0.02 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 43.05 2e7k s LEU 48 CO 0.57 0.18 0.50 -1.38 0.23 0.00 0.00 176.35 176.45 2e7k s HIS 49 N -1.26 -0.01 -0.15 0.29 -3.43 -1.26 -4.87 115.29 104.60 2e7k s HIS 49 Ca 0.35 -0.34 -0.36 0.00 -0.80 0.00 0.00 55.06 53.92 2e7k s HIS 49 Cb -0.19 0.33 -0.13 0.00 -1.43 0.00 0.00 32.58 31.16 2e7k s HIS 49 CO 0.21 -0.91 1.87 0.28 -2.00 0.00 0.00 174.74 174.19 2e7k n VAL 50 N -0.33 0.50 0.00 -5.38 0.31 -1.26 -2.08 118.33 110.09 2e7k n VAL 50 Ca -0.09 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2e7k n VAL 50 Cb 0.62 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2e7k n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2e7k n GLY 51 N 4.46 1.30 3.59 2.92 0.00 -1.01 -5.02 105.19 111.42 2e7k n GLY 51 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 2e7k n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e7k s ASP 52 N -2.00 6.28 0.04 1.61 1.11 -0.89 -4.51 116.67 118.32 2e7k s ASP 52 Ca 0.00 0.17 -0.20 0.00 0.18 0.00 0.00 52.55 52.70 2e7k s ASP 52 Cb 0.00 -2.23 -0.06 0.00 1.07 0.00 0.00 42.92 41.70 2e7k s ASP 52 CO 0.00 -0.29 0.59 -0.63 1.18 0.00 0.00 175.17 176.02 2e7k s ILE 53 N 2.18 4.80 -0.08 0.77 1.09 -0.95 -2.13 121.20 126.88 2e7k s ILE 53 Ca 0.16 1.25 -0.05 0.00 -1.10 0.00 0.00 60.65 60.91 2e7k s ILE 53 Cb -0.16 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 2e7k s ILE 53 CO 0.11 0.49 0.14 -0.63 -0.10 0.00 0.00 174.94 174.95 2e7k s ILE 54 N -0.69 5.38 -0.08 2.92 1.09 -1.04 0.02 121.20 128.81 2e7k s ILE 54 Ca 0.30 0.06 -0.11 0.00 -1.10 0.00 0.00 60.65 59.80 2e7k s ILE 54 Cb -0.19 -3.39 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 2e7k s ILE 54 CO 0.18 0.53 -0.22 1.17 -0.10 0.00 0.00 174.94 176.51 2e7k n LYS 55 N 1.69 0.33 -3.61 2.79 3.00 -0.35 -4.59 118.16 117.43 2e7k n LYS 55 Ca -0.17 0.13 -0.16 0.00 -0.00 0.00 0.00 58.31 58.11 2e7k n LYS 55 Cb 0.54 -1.08 -0.07 0.00 0.00 0.00 0.00 35.03 34.42 2e7k n LYS 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2e7k s GLU 56 N -2.55 0.89 -0.05 1.64 2.12 -1.26 -4.42 118.70 115.08 2e7k s GLU 56 Ca -0.19 0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.42 2e7k s GLU 56 Cb 0.03 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.85 2e7k s GLU 56 CO 0.27 -0.25 -0.12 0.54 -0.54 0.00 0.00 175.26 175.16 2e7k s VAL 57 N -0.96 1.10 -0.85 3.70 0.11 -0.98 -2.39 120.40 120.12 2e7k s VAL 57 Ca -0.10 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2e7k s VAL 57 Cb -0.02 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2e7k s VAL 57 CO 0.07 0.34 0.00 0.59 -3.33 0.00 0.00 175.10 172.76 2e7k n ASN 58 N 3.51 -2.78 -1.39 3.54 4.13 -1.10 -0.20 115.26 120.96 2e7k n ASN 58 Ca -0.21 0.25 -0.06 0.00 1.68 0.00 0.00 54.58 56.25 2e7k n ASN 58 Cb 0.53 -2.55 0.02 0.00 -1.54 0.00 0.00 39.78 36.24 2e7k n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e7k n GLY 59 N -0.47 0.47 2.99 7.41 0.00 -1.26 -5.06 105.19 109.26 2e7k n GLY 59 Ca -0.10 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 2e7k n GLY 59 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2e7k s GLN 60 N -5.06 0.13 0.05 1.61 0.74 0.73 -5.13 119.66 112.72 2e7k s GLN 60 Ca 0.11 0.21 -0.31 0.00 0.05 0.00 0.00 55.36 55.42 2e7k s GLN 60 Cb -0.05 0.02 -0.07 0.00 1.10 0.00 0.00 33.01 34.02 2e7k s GLN 60 CO 0.19 -0.05 1.41 -1.25 -0.55 0.00 0.00 175.29 175.05 2e7k s PRO 61 N 0.27 4.29 0.37 1.67 0.04 -1.26 -2.32 135.00 138.06 2e7k s PRO 61 Ca -0.02 2.03 0.26 0.00 0.04 0.00 0.00 61.00 63.31 2e7k s PRO 61 Cb -0.03 -3.46 0.82 0.00 0.04 0.00 0.00 34.50 31.87 2e7k s PRO 61 CO -0.01 -0.53 1.76 -0.39 0.04 0.00 0.00 177.00 177.87 2e7k h VAL 62 N 4.67 0.00 0.00 -0.36 -1.51 -1.95 -3.49 116.25 113.61 2e7k h VAL 62 Ca -0.40 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 2e7k h VAL 62 Cb 1.19 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 2e7k h VAL 62 CO 0.89 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.84 2e7k n GLY 63 N 0.72 2.18 0.61 5.19 0.00 -1.26 -4.44 105.19 108.19 2e7k n GLY 63 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2e7k n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e7k n SER 64 N 5.20 1.34 -4.52 1.61 7.64 -1.26 -4.67 113.62 118.95 2e7k n SER 64 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 2e7k n SER 64 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2e7k n SER 64 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2e7k n ASP 65 N -2.39 2.60 -0.07 6.43 2.03 -1.26 -4.70 116.55 119.19 2e7k n ASP 65 Ca 0.00 0.21 -0.13 0.00 0.52 0.00 0.00 54.79 55.39 2e7k n ASP 65 Cb 0.29 -1.42 -0.06 0.00 -0.72 0.00 0.00 41.12 39.22 2e7k n ASP 65 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2e7k h PRO 66 N 14.35 0.49 -0.49 -0.67 0.13 -1.89 -2.72 132.00 141.20 2e7k h PRO 66 Ca -0.32 -0.26 0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2e7k h PRO 66 Cb 1.28 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2e7k h PRO 66 CO 1.02 0.83 0.33 0.00 -0.23 0.00 0.00 178.00 179.95 2e7k h ARG 67 N 0.17 0.27 0.02 0.86 3.08 -1.88 -0.36 114.38 116.54 2e7k h ARG 67 Ca 0.03 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 2e7k h ARG 67 Cb 0.74 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2e7k h ARG 67 CO 0.05 0.18 -0.93 0.00 -1.07 0.00 0.00 179.97 178.20 2e7k h ALA 68 N 1.75 0.47 0.63 0.04 0.00 -1.93 -3.29 119.26 116.92 2e7k h ALA 68 Ca 0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2e7k h ALA 68 Cb 0.52 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2e7k h ALA 68 CO -0.05 0.98 -0.30 1.25 0.00 0.00 0.00 179.25 181.13 2e7k h LEU 69 N 0.08 -0.71 -1.52 0.00 5.85 -0.77 -2.59 115.31 115.65 2e7k h LEU 69 Ca -0.05 0.02 0.29 0.00 0.84 0.00 0.00 57.88 58.99 2e7k h LEU 69 Cb 1.59 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.76 2e7k h LEU 69 CO 0.14 -0.35 1.00 1.56 -0.34 0.00 0.00 178.44 180.45 2e7k h GLN 70 N -1.16 0.00 0.13 1.25 4.20 -1.48 1.46 115.11 119.50 2e7k h GLN 70 Ca -0.09 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.35 2e7k h GLN 70 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2e7k h GLN 70 CO 0.14 0.00 -1.25 1.49 -0.67 0.00 0.00 178.83 178.55 2e7k h GLU 71 N 0.00 0.27 -0.96 1.46 4.22 -1.58 -3.22 114.58 114.77 2e7k h GLU 71 Ca 0.48 -0.47 0.04 0.00 0.08 0.00 0.00 59.36 59.49 2e7k h GLU 71 Cb 2.48 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 31.84 2e7k h GLU 71 CO -0.01 1.22 0.63 1.37 -2.18 0.00 0.00 179.01 180.04 2e7k h LEU 72 N 0.07 1.03 -0.12 1.64 8.10 0.24 -2.64 115.31 123.65 2e7k h LEU 72 Ca -0.14 -0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.83 2e7k h LEU 72 Cb 1.97 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 41.96 2e7k h LEU 72 CO 0.20 0.69 0.01 -0.07 -4.11 0.00 0.00 178.44 175.17 2e7k h LEU 73 N 1.19 0.20 -0.85 0.17 3.38 -1.59 -2.80 115.31 115.02 2e7k h LEU 73 Ca 0.39 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2e7k h LEU 73 Cb 0.05 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 2e7k h LEU 73 CO -0.14 0.44 -0.50 -1.14 0.09 0.00 0.00 178.44 177.19 2e7k n ARG 74 N -4.81 -0.37 -0.21 1.13 0.63 -1.00 0.34 116.66 112.37 2e7k n ARG 74 Ca -0.06 1.31 -0.06 0.00 -0.92 0.00 0.00 57.85 58.12 2e7k n ARG 74 Cb 0.19 -1.92 0.04 0.00 0.45 0.00 0.00 32.46 31.22 2e7k n ARG 74 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2e7k h ASN 75 N 0.00 0.70 -1.36 6.15 2.35 -1.58 -1.94 115.58 119.90 2e7k h ASN 75 Ca 0.14 -0.04 -0.66 0.00 -0.55 0.00 0.00 56.30 55.19 2e7k h ASN 75 Cb 0.35 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2e7k h ASN 75 CO -0.80 0.53 1.36 0.00 -1.65 0.00 0.00 177.43 176.88 2e7k n ALA 76 N -2.28 1.08 -2.39 -0.83 0.00 0.15 -4.46 120.51 111.79 2e7k n ALA 76 Ca 0.04 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 2e7k n ALA 76 Cb 0.04 -2.58 -0.02 0.00 0.00 0.00 0.00 19.45 16.89 2e7k n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2e7k s SER 77 N 6.85 4.64 0.40 0.00 0.15 -1.26 -4.73 113.70 119.75 2e7k s SER 77 Ca 1.06 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2e7k s SER 77 Cb -0.78 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 2e7k s SER 77 CO 0.48 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2e7k n GLY 78 N -1.67 1.30 3.46 9.45 0.00 -1.19 -4.52 105.19 112.02 2e7k n GLY 78 Ca -0.02 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2e7k n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e7k s SER 79 N -4.00 6.23 0.03 1.61 0.15 -1.26 -3.59 113.70 112.87 2e7k s SER 79 Ca 0.00 -0.86 -0.19 0.00 0.70 0.00 0.00 55.95 55.61 2e7k s SER 79 Cb 0.00 -2.37 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 2e7k s SER 79 CO 0.00 -1.19 0.54 -0.69 1.20 0.00 0.00 173.24 173.09 2e7k s VAL 80 N 3.46 4.86 -0.29 4.45 1.01 -1.07 -4.89 120.40 127.92 2e7k s VAL 80 Ca 0.21 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 2e7k s VAL 80 Cb -0.17 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2e7k s VAL 80 CO 0.13 0.52 0.02 -0.63 0.00 0.00 0.00 175.10 175.14 2e7k s ILE 81 N -0.83 3.32 -0.30 2.22 1.09 -1.26 -1.86 121.20 123.58 2e7k s ILE 81 Ca 0.28 -1.09 -0.07 0.00 -1.10 0.00 0.00 60.65 58.67 2e7k s ILE 81 Cb -0.18 -2.80 0.01 0.00 -1.06 0.00 0.00 42.46 38.42 2e7k s ILE 81 CO 0.17 -0.00 0.09 -0.76 -0.10 0.00 0.00 174.94 174.34 2e7k s LEU 82 N 1.35 3.89 -0.44 2.97 1.43 -1.08 -2.73 118.68 124.08 2e7k s LEU 82 Ca -0.01 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 2e7k s LEU 82 Cb -0.18 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2e7k s LEU 82 CO -0.00 -0.20 0.83 -0.75 0.23 0.00 0.00 176.35 176.46 2e7k s LYS 83 N 1.50 3.50 0.27 1.70 2.20 -1.01 -2.34 119.74 125.56 2e7k s LYS 83 Ca 0.02 0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.75 2e7k s LYS 83 Cb -0.17 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 2e7k s LYS 83 CO 0.03 -1.11 0.24 0.42 -0.36 0.00 0.00 175.35 174.57 2e7k s ILE 84 N 3.42 4.41 0.05 5.43 -1.09 -0.77 -1.21 121.20 131.44 2e7k s ILE 84 Ca 0.32 -1.33 -0.13 0.00 -2.23 0.00 0.00 60.65 57.28 2e7k s ILE 84 Cb -0.12 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 2e7k s ILE 84 CO 0.23 -0.32 0.30 -0.76 -1.23 0.00 0.00 174.94 173.16 2e7k s LEU 85 N -3.89 0.92 0.58 2.97 1.02 0.10 -0.27 118.68 120.10 2e7k s LEU 85 Ca 0.35 -0.24 -0.15 0.00 0.02 0.00 0.00 54.13 54.11 2e7k s LEU 85 Cb -0.08 1.34 -0.05 0.00 0.02 0.00 0.00 46.19 47.42 2e7k s LEU 85 CO 0.26 -0.63 1.02 -0.55 0.02 0.00 0.00 176.35 176.47 2e7k s SER 86 N -2.16 6.17 0.00 2.29 0.15 -1.26 -2.23 113.70 116.67 2e7k s SER 86 Ca -0.04 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.22 2e7k s SER 86 Cb -0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2e7k s SER 86 CO -0.04 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.11 2e7k n GLY 87 N -1.69 6.94 0.00 9.45 0.00 -1.26 -4.88 105.19 113.75 2e7k n GLY 87 Ca 0.07 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.33 2e7k n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7k n PRO 88 N 0.00 0.34 -4.42 1.61 -0.04 -1.26 -4.86 135.00 126.37 2e7k n PRO 88 Ca 0.00 0.08 -0.37 0.00 -0.04 0.00 0.00 63.50 63.17 2e7k n PRO 88 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2e7k n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2e7k n SER 89 N -1.15 -0.33 -4.33 3.54 3.41 -1.26 0.42 113.62 113.92 2e7k n SER 89 Ca 0.09 -1.26 -0.33 0.00 -0.26 0.00 0.00 58.87 57.10 2e7k n SER 89 Cb 0.09 -1.59 -0.08 0.00 -0.26 0.00 0.00 64.21 62.36 2e7k n SER 89 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e7k n SER 90 N -2.69 -0.04 -0.58 4.04 7.64 -1.26 -5.25 113.62 115.48 2e7k n SER 90 Ca -0.12 -1.23 0.07 0.00 1.01 0.00 0.00 58.87 58.60 2e7k n SER 90 Cb 0.58 -1.81 0.06 0.00 -1.01 0.00 0.00 64.21 62.04 2e7k n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64