#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 1.57 -0.09 1.61 7.64 -1.26 -4.82 113.62 118.27 2e7k n SER 2 Ca 0.00 0.50 -0.10 0.00 1.01 0.00 0.00 58.87 60.28 2e7k n SER 2 Cb 0.00 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.05 2e7k n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2e7k h SER 3 N 11.14 0.40 0.00 6.43 0.87 -2.05 -3.47 113.55 126.88 2e7k h SER 3 Ca -0.20 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2e7k h SER 3 Cb 1.36 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2e7k h SER 3 CO 1.05 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 178.47 2e7k n GLY 4 N -0.62 -1.35 3.57 5.77 0.00 -1.26 -5.07 105.19 106.23 2e7k n GLY 4 Ca -0.03 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2e7k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7k s SER 5 N 0.11 6.12 0.04 1.61 0.01 -1.26 -4.89 113.70 115.44 2e7k s SER 5 Ca 0.00 0.25 -0.27 0.00 1.31 0.00 0.00 55.95 57.24 2e7k s SER 5 Cb 0.00 -2.55 -0.17 0.00 0.21 0.00 0.00 66.02 63.51 2e7k s SER 5 CO 0.00 -1.72 1.46 0.28 0.41 0.00 0.00 173.24 173.67 2e7k h SER 6 N 11.05 -0.36 0.00 2.44 0.02 -1.97 -3.44 113.55 121.28 2e7k h SER 6 Ca -0.27 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2e7k h SER 6 Cb 1.09 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2e7k h SER 6 CO 1.18 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.37 2e7k n GLY 7 N -0.78 0.74 2.75 -3.77 0.00 -1.26 -5.08 105.19 97.79 2e7k n GLY 7 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 1.47 0.19 -0.39 1.61 3.52 -0.80 -4.92 118.95 119.64 2e7k s ARG 8 Ca 0.00 0.21 -0.20 0.00 -0.13 0.00 0.00 55.73 55.61 2e7k s ARG 8 Cb 0.00 -1.20 0.01 0.00 -1.56 0.00 0.00 34.95 32.20 2e7k s ARG 8 CO 0.00 -0.66 0.59 -1.64 -0.81 0.00 0.00 175.30 172.78 2e7k s MET 9 N 2.33 3.45 -0.18 5.12 -1.94 -1.25 -1.05 119.30 125.77 2e7k s MET 9 Ca 0.07 -0.25 -0.07 0.00 -1.71 0.00 0.00 55.69 53.73 2e7k s MET 9 Cb -0.16 -3.88 -0.04 0.00 2.01 0.00 0.00 34.83 32.76 2e7k s MET 9 CO -0.12 -0.84 0.04 0.08 -0.01 0.00 0.00 175.02 174.17 2e7k s VAL 10 N 2.63 4.53 0.11 -6.03 1.01 -0.81 -4.85 120.40 116.99 2e7k s VAL 10 Ca 0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 2e7k s VAL 10 Cb -0.15 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 2e7k s VAL 10 CO 0.16 0.46 0.43 -0.83 0.00 0.00 0.00 175.10 175.32 2e7k s GLY 11 N 0.48 2.33 0.01 4.51 0.00 -1.26 -1.78 107.32 111.60 2e7k s GLY 11 Ca 0.01 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.37 2e7k s GLY 11 CO 0.01 -0.17 -0.03 -0.42 0.00 0.00 0.00 173.10 172.49 2e7k s ILE 12 N -1.49 0.22 -0.76 0.90 1.01 -0.82 -4.97 121.20 115.30 2e7k s ILE 12 Ca 0.36 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2e7k s ILE 12 Cb -0.13 -0.24 0.36 0.00 0.01 0.00 0.00 42.46 42.45 2e7k s ILE 12 CO 0.20 -0.09 1.64 -2.11 0.00 0.00 0.00 174.94 174.58 2e7k n ARG 13 N 2.60 3.59 -2.36 2.79 1.85 -1.26 -2.75 116.66 121.11 2e7k n ARG 13 Ca -0.16 -4.18 -0.25 0.00 -1.00 0.00 0.00 57.85 52.27 2e7k n ARG 13 Cb 0.58 -2.31 0.11 0.00 -1.05 0.00 0.00 32.46 29.79 2e7k n ARG 13 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2e7k s LYS 14 N -3.94 1.70 0.07 2.89 -2.85 -1.25 -4.98 119.74 111.37 2e7k s LYS 14 Ca 0.48 -0.71 0.06 0.00 -1.00 0.00 0.00 55.97 54.80 2e7k s LYS 14 Cb 0.35 -2.21 -0.03 0.00 -2.06 0.00 0.00 37.83 33.89 2e7k s LYS 14 CO -0.27 -1.51 -0.17 -0.08 0.10 0.00 0.00 175.35 173.43 2e7k s THR 15 N -3.28 1.33 -0.41 3.79 -1.32 -1.26 -2.78 115.64 111.71 2e7k s THR 15 Ca 0.65 -1.33 -0.43 0.00 -1.21 0.00 0.00 61.69 59.37 2e7k s THR 15 Cb -0.07 -1.23 -0.18 0.00 -1.51 0.00 0.00 72.50 69.51 2e7k s THR 15 CO 0.45 -0.12 1.77 0.00 -2.21 0.00 0.00 174.62 174.52 2e7k n ALA 16 N 1.34 -0.55 0.00 11.08 0.00 -1.26 -1.08 120.51 130.04 2e7k n ALA 16 Ca -0.20 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2e7k n ALA 16 Cb 0.54 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 4.75 3.06 3.69 0.00 0.00 -0.51 -5.05 105.19 111.13 2e7k n GLY 17 Ca 0.34 -0.83 -0.57 0.00 0.00 0.00 0.00 46.02 44.96 2e7k n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2e7k n GLU 18 N 0.00 1.13 -2.78 1.61 4.71 -0.24 -4.89 120.64 120.18 2e7k n GLU 18 Ca 0.00 0.41 -0.22 0.00 -0.01 0.00 0.00 57.16 57.34 2e7k n GLU 18 Cb 0.00 -2.08 0.10 0.00 -1.01 0.00 0.00 31.44 28.44 2e7k n GLU 18 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2e7k s HIS 19 N 2.99 1.37 -0.02 -0.32 3.76 -1.26 -4.72 115.29 117.09 2e7k s HIS 19 Ca 0.96 -0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 55.33 2e7k s HIS 19 Cb -1.06 -2.67 -0.01 0.00 1.11 0.00 0.00 32.58 29.94 2e7k s HIS 19 CO 0.63 -1.56 -0.08 1.28 -0.85 0.00 0.00 174.74 174.16 2e7k n LEU 20 N -2.63 0.63 0.00 0.89 4.77 -1.26 -4.49 117.00 114.90 2e7k n LEU 20 Ca 0.16 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2e7k n LEU 20 Cb 0.61 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2e7k n LEU 20 CO 0.41 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2e7k n GLY 21 N 2.40 0.63 3.08 -0.72 0.00 -1.26 -3.29 105.19 106.03 2e7k n GLY 21 Ca -0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.89 0.27 -0.13 1.61 -7.23 -1.26 -0.59 120.40 112.19 2e7k s VAL 22 Ca 0.00 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2e7k s VAL 22 Cb 0.00 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.62 2e7k s VAL 22 CO 0.00 -0.89 -0.22 0.42 -0.31 0.00 0.00 175.10 174.10 2e7k s THR 23 N -3.44 2.03 -0.07 5.32 -4.23 0.42 -4.96 115.64 110.71 2e7k s THR 23 Ca 0.04 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2e7k s THR 23 Cb 0.04 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 2e7k s THR 23 CO -0.08 0.55 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.17 2e7k s PHE 24 N 0.69 3.08 0.16 3.99 0.08 -1.26 0.17 117.98 124.89 2e7k s PHE 24 Ca -0.10 0.13 0.09 0.00 0.12 0.00 0.00 56.93 57.17 2e7k s PHE 24 Cb -0.16 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 2e7k s PHE 24 CO 0.01 0.42 -0.14 -0.98 -0.10 0.00 0.00 175.22 174.44 2e7k s ARG 25 N -0.91 1.93 -0.31 0.44 1.70 -0.34 -4.61 118.95 116.86 2e7k s ARG 25 Ca 0.13 -1.25 -0.06 0.00 -0.47 0.00 0.00 55.73 54.09 2e7k s ARG 25 Cb -0.11 -2.13 0.02 0.00 -0.57 0.00 0.00 34.95 32.16 2e7k s ARG 25 CO 0.03 0.45 0.08 0.08 -1.08 0.00 0.00 175.30 174.85 2e7k s VAL 26 N -1.49 3.78 -0.53 4.99 1.01 -1.26 -2.46 120.40 124.44 2e7k s VAL 26 Ca 0.22 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2e7k s VAL 26 Cb -0.09 -3.03 0.45 0.00 0.00 0.00 0.00 36.38 33.71 2e7k s VAL 26 CO 0.13 -0.02 1.71 -0.62 0.00 0.00 0.00 175.10 176.31 2e7k n GLU 27 N 4.82 3.05 0.00 2.72 4.71 -1.25 -4.95 120.64 129.74 2e7k n GLU 27 Ca -0.14 -3.64 0.00 0.00 -0.01 0.00 0.00 57.16 53.38 2e7k n GLU 27 Cb 0.46 -2.29 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 2e7k n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2e7k n GLY 28 N -0.83 1.52 1.31 0.62 0.00 -1.26 -4.79 105.19 101.77 2e7k n GLY 28 Ca 0.55 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 1.72 3.22 -0.02 0.00 -1.26 -5.09 105.19 103.76 2e7k n GLY 29 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.57 1.10 -0.15 1.61 4.04 -1.26 -5.02 118.70 118.45 2e7k s GLU 30 Ca 0.34 -1.47 0.01 0.00 0.04 0.00 0.00 54.97 53.88 2e7k s GLU 30 Cb 0.38 0.28 0.02 0.00 0.02 0.00 0.00 34.13 34.83 2e7k s GLU 30 CO -0.15 -0.35 -0.16 -0.51 -1.84 0.00 0.00 175.26 172.25 2e7k s LEU 31 N -3.08 1.79 0.12 1.83 1.43 -1.26 -3.80 118.68 115.71 2e7k s LEU 31 Ca 0.29 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2e7k s LEU 31 Cb 0.06 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2e7k s LEU 31 CO 0.06 -0.03 -0.27 0.54 0.23 0.00 0.00 176.35 176.88 2e7k s VAL 32 N 1.35 2.26 -0.81 -1.59 0.11 -1.03 -1.80 120.40 118.89 2e7k s VAL 32 Ca 0.03 -1.73 -0.25 0.00 -2.93 0.00 0.00 61.98 57.10 2e7k s VAL 32 Cb -0.13 -1.99 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 2e7k s VAL 32 CO -0.09 0.11 1.74 -0.63 -3.33 0.00 0.00 175.10 172.89 2e7k s ILE 33 N -1.04 3.54 0.03 7.04 1.01 -1.06 -1.20 121.20 129.52 2e7k s ILE 33 Ca 0.14 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 2e7k s ILE 33 Cb -0.10 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 2e7k s ILE 33 CO 0.06 -1.24 1.24 0.00 0.00 0.00 0.00 174.94 175.00 2e7k h ALA 34 N 11.98 -1.04 -2.31 9.38 0.00 0.15 -2.62 119.26 134.80 2e7k h ALA 34 Ca -0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2e7k h ALA 34 Cb 1.06 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 19.05 2e7k h ALA 34 CO 1.26 -1.02 -0.67 0.50 0.00 0.00 0.00 179.25 179.32 2e7k s ARG 35 N -4.26 0.80 -0.26 0.00 3.52 -0.94 -4.78 118.95 113.02 2e7k s ARG 35 Ca -0.08 -1.34 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 2e7k s ARG 35 Cb 0.01 0.13 0.08 0.00 -1.56 0.00 0.00 34.95 33.61 2e7k s ARG 35 CO 0.26 -0.16 0.01 0.42 -0.81 0.00 0.00 175.30 175.03 2e7k s ILE 36 N -3.91 1.27 0.99 4.11 1.01 -1.26 -0.44 121.20 122.98 2e7k s ILE 36 Ca 0.15 -1.29 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 2e7k s ILE 36 Cb 0.07 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2e7k s ILE 36 CO -0.04 -0.33 -0.11 0.18 0.00 0.00 0.00 174.94 174.64 2e7k n LEU 37 N 4.73 -2.27 -4.80 2.97 4.32 0.25 -4.91 117.00 117.28 2e7k n LEU 37 Ca -0.07 0.20 -0.38 0.00 -0.02 0.00 0.00 56.01 55.73 2e7k n LEU 37 Cb 0.44 -1.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.18 2e7k n LEU 37 CO 0.16 -4.11 0.22 -1.38 -1.22 0.00 0.00 177.39 171.06 2e7k s HIS 38 N -2.24 3.74 -0.10 -1.77 -3.43 -1.26 -4.56 115.29 105.66 2e7k s HIS 38 Ca 0.51 1.14 -0.00 0.00 -0.80 0.00 0.00 55.06 55.91 2e7k s HIS 38 Cb -0.17 -2.46 0.00 0.00 -1.43 0.00 0.00 32.58 28.52 2e7k s HIS 38 CO 0.71 0.52 0.10 0.41 -2.00 0.00 0.00 174.74 174.49 2e7k n GLY 39 N 2.02 -0.45 0.15 -1.38 0.00 -1.26 -5.09 105.19 99.18 2e7k n GLY 39 Ca -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.08 1.92 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.75 2e7k n GLY 40 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.00 2e7k n GLY 40 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2e7k h MET 41 N 0.00 -0.01 -0.83 1.61 1.85 -1.78 -2.60 114.93 113.17 2e7k h MET 41 Ca -0.01 0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.20 2e7k h MET 41 Cb 0.05 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.02 2e7k h MET 41 CO 0.02 -0.01 0.54 0.28 -0.40 0.00 0.00 176.91 177.34 2e7k h VAL 42 N -0.02 0.89 0.49 -5.77 2.07 -1.88 0.09 116.25 112.12 2e7k h VAL 42 Ca -0.00 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2e7k h VAL 42 Cb 0.01 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2e7k h VAL 42 CO 0.00 0.13 -0.41 0.00 0.02 0.00 0.00 177.57 177.31 2e7k h ALA 43 N 1.60 -1.12 0.46 1.67 0.00 -1.81 -3.23 119.26 116.83 2e7k h ALA 43 Ca 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2e7k h ALA 43 Cb 0.58 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2e7k h ALA 43 CO -0.16 -1.13 -0.22 1.96 0.00 0.00 0.00 179.25 179.70 2e7k h GLN 44 N -0.87 -0.60 -6.19 0.00 1.08 -1.15 -3.43 115.11 103.95 2e7k h GLN 44 Ca -0.06 0.04 -0.72 0.00 -1.45 0.00 0.00 58.65 56.46 2e7k h GLN 44 Cb 0.74 0.14 0.03 0.00 -0.05 0.00 0.00 27.48 28.33 2e7k h GLN 44 CO -0.01 -0.34 0.68 1.04 -0.95 0.00 0.00 178.83 179.25 2e7k n GLN 45 N -5.31 1.08 -0.99 1.46 6.02 -0.01 -4.82 117.38 114.81 2e7k n GLN 45 Ca -0.11 0.39 -0.18 0.00 -0.01 0.00 0.00 57.00 57.09 2e7k n GLN 45 Cb 0.29 -2.05 0.01 0.00 1.02 0.00 0.00 30.24 29.51 2e7k n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7k n GLY 46 N 3.40 4.05 0.74 1.08 0.00 -1.26 -4.25 105.19 108.95 2e7k n GLY 46 Ca 0.23 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 2e7k n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e7k n LEU 47 N 0.56 1.13 -4.81 0.99 4.77 -1.26 -5.03 117.00 113.34 2e7k n LEU 47 Ca 0.33 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 56.09 2e7k n LEU 47 Cb 0.58 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2e7k n LEU 47 CO 0.35 -0.59 0.30 -0.76 -1.33 0.00 0.00 177.39 175.36 2e7k s LEU 48 N -6.87 4.52 0.00 2.23 1.43 -1.26 -5.07 118.68 113.66 2e7k s LEU 48 Ca -0.07 1.31 -0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2e7k s LEU 48 Cb 0.01 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2e7k s LEU 48 CO 0.11 0.25 0.33 0.00 0.23 0.00 0.00 176.35 177.27 2e7k n HIS 49 N 1.61 -1.10 -1.77 0.29 1.44 -1.26 -4.84 115.22 109.60 2e7k n HIS 49 Ca -0.09 -1.73 -0.43 0.00 -2.01 0.00 0.00 57.72 53.46 2e7k n HIS 49 Cb 0.51 0.38 -0.03 0.00 0.12 0.00 0.00 29.99 30.96 2e7k n HIS 49 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2e7k s VAL 50 N -2.74 3.20 0.00 0.61 1.01 -1.26 -2.80 120.40 118.42 2e7k s VAL 50 Ca 0.22 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2e7k s VAL 50 Cb -0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2e7k s VAL 50 CO 0.16 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2e7k n GLY 51 N 5.41 1.92 3.44 4.51 0.00 -0.99 -4.98 105.19 114.50 2e7k n GLY 51 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 5.83 -0.22 1.61 1.11 -1.12 -4.85 116.67 117.04 2e7k s ASP 52 Ca 0.00 -0.77 -0.24 0.00 0.18 0.00 0.00 52.55 51.72 2e7k s ASP 52 Cb 0.00 -2.07 -0.01 0.00 1.07 0.00 0.00 42.92 41.91 2e7k s ASP 52 CO 0.00 -0.33 0.81 -0.63 1.18 0.00 0.00 175.17 176.20 2e7k s ILE 53 N 1.63 4.86 0.07 0.77 1.01 -1.08 -2.56 121.20 125.90 2e7k s ILE 53 Ca 0.04 1.55 -0.14 0.00 0.00 0.00 0.00 60.65 62.11 2e7k s ILE 53 Cb -0.18 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 2e7k s ILE 53 CO 0.08 -0.03 0.46 -0.63 0.00 0.00 0.00 174.94 174.82 2e7k s ILE 54 N 2.58 4.98 -0.03 2.92 1.01 -0.75 0.55 121.20 132.46 2e7k s ILE 54 Ca 0.35 0.76 -0.08 0.00 0.00 0.00 0.00 60.65 61.69 2e7k s ILE 54 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2e7k s ILE 54 CO 0.09 0.41 -0.15 1.17 0.00 0.00 0.00 174.94 176.46 2e7k n LYS 55 N 1.29 0.22 -3.97 2.79 3.00 0.43 -4.48 118.16 117.43 2e7k n LYS 55 Ca -0.10 0.09 -0.09 0.00 -0.00 0.00 0.00 58.31 58.21 2e7k n LYS 55 Cb 0.52 -0.87 -0.08 0.00 0.00 0.00 0.00 35.03 34.60 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 -2.31 1.01 -0.04 1.64 2.12 -1.25 -4.42 118.70 115.45 2e7k s GLU 56 Ca -0.12 -1.17 -0.01 0.00 0.36 0.00 0.00 54.97 54.03 2e7k s GLU 56 Cb 0.02 0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.78 2e7k s GLU 56 CO 0.18 -0.34 0.08 0.54 -0.54 0.00 0.00 175.26 175.18 2e7k s VAL 57 N -3.95 -0.06 -0.83 3.70 0.11 -0.52 -1.80 120.40 117.04 2e7k s VAL 57 Ca 0.15 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2e7k s VAL 57 Cb 0.05 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 2e7k s VAL 57 CO -0.03 0.09 0.00 0.59 -3.33 0.00 0.00 175.10 172.41 2e7k n ASN 58 N 4.23 -3.03 -0.89 3.54 3.02 -1.15 0.49 115.26 121.47 2e7k n ASN 58 Ca -0.27 0.26 -0.06 0.00 -0.03 0.00 0.00 54.58 54.48 2e7k n ASN 58 Cb 0.51 -2.68 0.01 0.00 -0.61 0.00 0.00 39.78 37.00 2e7k n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e7k n GLY 59 N -0.61 0.27 3.04 7.41 0.00 -1.26 -5.05 105.19 108.98 2e7k n GLY 59 Ca -0.11 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 2e7k n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e7k s GLN 60 N -4.64 0.45 0.11 1.61 -0.21 0.18 -5.14 119.66 112.03 2e7k s GLN 60 Ca 0.05 -0.84 -0.31 0.00 0.02 0.00 0.00 55.36 54.29 2e7k s GLN 60 Cb -0.02 0.16 -0.08 0.00 1.00 0.00 0.00 33.01 34.07 2e7k s GLN 60 CO 0.07 -0.08 1.36 -1.25 -2.12 0.00 0.00 175.29 173.26 2e7k s PRO 61 N -2.46 4.34 0.40 2.91 0.04 -1.26 -1.44 135.00 137.52 2e7k s PRO 61 Ca -0.07 2.03 0.21 0.00 0.04 0.00 0.00 61.00 63.22 2e7k s PRO 61 Cb -0.03 -3.26 0.60 0.00 0.04 0.00 0.00 34.50 31.86 2e7k s PRO 61 CO -0.05 -0.40 1.69 -0.39 0.04 0.00 0.00 177.00 177.89 2e7k h VAL 62 N 4.26 0.56 -1.55 -0.36 -1.51 -1.93 -3.47 116.25 112.25 2e7k h VAL 62 Ca -0.42 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.63 2e7k h VAL 62 Cb 1.21 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 2e7k h VAL 62 CO 0.85 0.27 0.00 0.61 -1.23 0.00 0.00 177.57 178.07 2e7k n GLY 63 N 0.60 -2.98 0.27 5.19 0.00 -1.26 -4.10 105.19 102.91 2e7k n GLY 63 Ca 0.01 -0.67 0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.27 -4.66 1.61 7.64 -1.26 -4.22 113.62 112.99 2e7k n SER 64 Ca 0.00 1.30 -0.42 0.00 1.01 0.00 0.00 58.87 60.76 2e7k n SER 64 Cb 0.00 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 2e7k n SER 64 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2e7k s ASP 65 N -4.58 6.53 -0.02 6.43 1.01 -1.26 -4.81 116.67 119.97 2e7k s ASP 65 Ca -0.07 2.52 -0.26 0.00 0.71 0.00 0.00 52.55 55.46 2e7k s ASP 65 Cb 0.27 -2.54 -0.20 0.00 1.01 0.00 0.00 42.92 41.46 2e7k s ASP 65 CO 0.63 -1.00 1.27 1.55 0.21 0.00 0.00 175.17 177.83 2e7k h PRO 66 N 9.93 0.01 -0.37 8.23 0.13 -1.82 -2.57 132.00 145.55 2e7k h PRO 66 Ca -0.45 -0.01 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 2e7k h PRO 66 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2e7k h PRO 66 CO 0.94 0.50 0.27 0.00 -0.23 0.00 0.00 178.00 179.48 2e7k h ARG 67 N -0.47 0.00 0.00 0.86 3.08 -1.91 0.81 114.38 116.75 2e7k h ARG 67 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2e7k h ARG 67 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2e7k h ARG 67 CO 0.00 0.00 -0.76 0.00 -1.07 0.00 0.00 179.97 178.14 2e7k h ALA 68 N 1.81 0.55 0.42 0.04 0.00 -1.89 -3.32 119.26 116.86 2e7k h ALA 68 Ca 0.17 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2e7k h ALA 68 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2e7k h ALA 68 CO -0.00 0.95 -0.20 1.25 0.00 0.00 0.00 179.25 181.24 2e7k h LEU 69 N 0.00 -0.48 -1.31 0.00 5.85 -0.43 -2.40 115.31 116.54 2e7k h LEU 69 Ca -0.01 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2e7k h LEU 69 Cb 1.54 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.69 2e7k h LEU 69 CO 0.10 -0.09 0.50 1.56 -0.34 0.00 0.00 178.44 180.17 2e7k h GLN 70 N -0.95 0.00 0.02 1.25 4.20 -1.58 0.83 115.11 118.89 2e7k h GLN 70 Ca -0.06 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.36 2e7k h GLN 70 Cb 0.56 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 2e7k h GLN 70 CO 0.09 0.00 -1.69 1.49 -0.67 0.00 0.00 178.83 178.06 2e7k h GLU 71 N 0.00 0.05 -0.70 1.46 4.81 -1.60 -3.29 114.58 115.30 2e7k h GLU 71 Ca 0.00 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2e7k h GLU 71 Cb 1.01 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2e7k h GLU 71 CO 0.00 0.66 0.35 1.37 -0.73 0.00 0.00 179.01 180.66 2e7k h LEU 72 N 0.01 0.91 -0.66 1.64 8.10 0.12 -2.71 115.31 122.72 2e7k h LEU 72 Ca -0.28 -0.12 -0.11 0.00 0.11 0.00 0.00 57.88 57.48 2e7k h LEU 72 Cb 2.00 -0.23 -0.02 0.00 -0.44 0.00 0.00 40.66 41.97 2e7k h LEU 72 CO 0.09 0.78 -0.13 -0.07 -4.11 0.00 0.00 178.44 175.00 2e7k h LEU 73 N 0.98 0.91 -0.89 0.17 3.38 -1.65 -2.94 115.31 115.27 2e7k h LEU 73 Ca 0.24 -0.30 0.24 0.00 0.09 0.00 0.00 57.88 58.15 2e7k h LEU 73 Cb 0.10 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 40.45 2e7k h LEU 73 CO -0.03 1.04 0.16 -0.09 0.09 0.00 0.00 178.44 179.60 2e7k h ARG 74 N 0.81 0.13 -0.05 1.13 2.43 -1.55 0.34 114.38 117.63 2e7k h ARG 74 Ca 0.13 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 59.07 2e7k h ARG 74 Cb 0.66 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2e7k h ARG 74 CO 0.05 0.09 -0.87 -0.91 -1.51 0.00 0.00 179.97 176.82 2e7k h ASN 75 N 0.14 0.64 -1.76 -3.80 2.35 -1.56 -1.34 115.58 110.24 2e7k h ASN 75 Ca 0.55 -0.47 -0.64 0.00 -0.55 0.00 0.00 56.30 55.19 2e7k h ASN 75 Cb 1.11 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 39.29 2e7k h ASN 75 CO -0.72 1.25 1.21 0.00 -1.65 0.00 0.00 177.43 177.52 2e7k n ALA 76 N -2.56 0.94 -2.56 -0.83 0.00 0.12 -4.69 120.51 110.93 2e7k n ALA 76 Ca -0.07 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 2e7k n ALA 76 Cb 0.79 -2.54 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 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 5.34 4.03 0.77 0.00 0.15 -1.26 -4.46 113.70 118.26 2e7k s SER 77 Ca 0.98 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2e7k s SER 77 Cb -0.72 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 2e7k s SER 77 CO 0.50 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2e7k n GLY 78 N -1.03 1.00 3.60 9.45 0.00 -1.12 -4.53 105.19 112.57 2e7k n GLY 78 Ca -0.04 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2e7k n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7k s SER 79 N -4.00 6.15 -0.04 1.61 0.01 -1.26 -3.95 113.70 112.22 2e7k s SER 79 Ca 0.00 1.13 0.02 0.00 1.31 0.00 0.00 55.95 58.41 2e7k s SER 79 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2e7k s SER 79 CO 0.00 -1.53 -0.08 -0.69 0.41 0.00 0.00 173.24 171.35 2e7k s VAL 80 N 6.03 3.60 -0.05 3.43 1.01 -1.11 -4.94 120.40 128.36 2e7k s VAL 80 Ca 0.70 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2e7k s VAL 80 Cb -0.19 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2e7k s VAL 80 CO 0.33 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 175.17 2e7k s ILE 81 N -0.87 2.95 -0.19 2.22 -1.09 -1.26 -1.93 121.20 121.03 2e7k s ILE 81 Ca 0.14 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 2e7k s ILE 81 Cb -0.11 -2.15 0.04 0.00 -1.58 0.00 0.00 42.46 38.66 2e7k s ILE 81 CO 0.03 0.58 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.47 2e7k s LEU 82 N -0.60 2.12 -0.54 2.97 1.43 -0.73 -2.91 118.68 120.41 2e7k s LEU 82 Ca 0.09 -0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 2e7k s LEU 82 Cb -0.11 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.98 2e7k s LEU 82 CO 0.01 -0.15 0.94 -0.75 0.23 0.00 0.00 176.35 176.63 2e7k s LYS 83 N 1.45 3.36 0.27 1.70 2.20 -0.74 -1.92 119.74 126.05 2e7k s LYS 83 Ca -0.01 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.46 2e7k s LYS 83 Cb -0.16 -4.04 -0.02 0.00 -1.51 0.00 0.00 37.83 32.10 2e7k s LYS 83 CO -0.08 -1.45 0.37 0.42 -0.36 0.00 0.00 175.35 174.25 2e7k s ILE 84 N 3.92 4.73 0.02 5.43 -1.09 -0.22 -0.43 121.20 133.57 2e7k s ILE 84 Ca 0.31 -1.06 -0.15 0.00 -2.23 0.00 0.00 60.65 57.52 2e7k s ILE 84 Cb -0.12 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2e7k s ILE 84 CO 0.20 -0.27 0.34 -0.76 -1.23 0.00 0.00 174.94 173.21 2e7k s LEU 85 N -4.02 0.74 0.55 2.97 1.02 0.19 -1.90 118.68 118.24 2e7k s LEU 85 Ca 0.37 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.50 2e7k s LEU 85 Cb -0.09 1.43 0.05 0.00 0.02 0.00 0.00 46.19 47.60 2e7k s LEU 85 CO 0.29 -0.57 0.77 -0.55 0.02 0.00 0.00 176.35 176.31 2e7k s SER 86 N -1.81 5.20 0.03 2.29 0.15 -1.26 -2.62 113.70 115.68 2e7k s SER 86 Ca -0.08 -0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 2e7k s SER 86 Cb -0.02 -0.63 0.01 0.00 -1.71 0.00 0.00 66.02 63.67 2e7k s SER 86 CO -0.00 -1.19 0.08 0.61 1.20 0.00 0.00 173.24 173.94 2e7k n GLY 87 N -2.32 1.54 3.56 9.45 0.00 -1.26 -4.98 105.19 111.19 2e7k n GLY 87 Ca 0.10 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2e7k n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7k s PRO 88 N -2.01 2.81 0.40 1.61 0.04 -1.26 -4.98 135.00 131.61 2e7k s PRO 88 Ca 0.02 0.78 -0.08 0.00 0.04 0.00 0.00 61.00 61.76 2e7k s PRO 88 Cb -0.00 -4.33 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 2e7k s PRO 88 CO 0.01 -2.51 0.73 -1.54 0.04 0.00 0.00 177.00 173.74 2e7k s SER 89 N 7.50 6.44 0.11 6.66 1.04 -1.26 -5.09 113.70 129.10 2e7k s SER 89 Ca 0.69 1.00 0.03 0.00 0.48 0.00 0.00 55.95 58.15 2e7k s SER 89 Cb -0.14 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 2e7k s SER 89 CO 0.24 -0.41 0.16 -0.44 0.98 0.00 0.00 173.24 173.77 2e7k s SER 90 N -3.40 5.87 0.00 7.02 0.01 -1.26 -5.33 113.70 116.61 2e7k s SER 90 Ca 0.49 0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.88 2e7k s SER 90 Cb -0.10 -1.66 0.05 0.00 0.21 0.00 0.00 66.02 64.52 2e7k s SER 90 CO 0.34 0.13 0.72 0.61 0.41 0.00 0.00 173.24 175.45