#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7k s SER 2 N 0.00 6.28 -0.25 1.61 1.04 -1.26 -4.98 113.70 116.14 2e7k s SER 2 Ca 0.00 0.32 -0.07 0.00 0.48 0.00 0.00 55.95 56.67 2e7k s SER 2 Cb 0.00 -2.12 -0.16 0.00 0.10 0.00 0.00 66.02 63.84 2e7k s SER 2 CO 0.00 0.14 -0.20 -1.20 0.98 0.00 0.00 173.24 172.96 2e7k n SER 3 N 3.61 1.97 -4.15 7.02 7.64 -1.26 -4.90 113.62 123.55 2e7k n SER 3 Ca -0.14 0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2e7k n SER 3 Cb 0.52 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.90 2e7k n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e7k s GLY 4 N -5.88 1.59 -0.33 0.23 0.00 -1.26 -5.06 107.32 96.60 2e7k s GLY 4 Ca -0.35 -1.50 -0.31 0.00 0.00 0.00 0.00 44.72 42.56 2e7k s GLY 4 CO 0.57 0.50 2.25 -1.26 0.00 0.00 0.00 173.10 175.15 2e7k n SER 5 N 4.60 2.57 -0.04 1.64 2.88 -1.26 -4.84 113.62 119.17 2e7k n SER 5 Ca -0.17 0.19 -0.08 0.00 -1.33 0.00 0.00 58.87 57.48 2e7k n SER 5 Cb 0.46 -1.42 -0.02 0.00 -0.75 0.00 0.00 64.21 62.48 2e7k n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2e7k h SER 6 N 14.46 -0.28 0.00 -3.46 0.87 -1.97 -3.48 113.55 119.70 2e7k h SER 6 Ca -0.32 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2e7k h SER 6 Cb 1.28 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2e7k h SER 6 CO 1.02 -0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.83 2e7k n GLY 7 N -1.24 2.84 2.92 5.77 0.00 -1.26 -4.82 105.19 109.40 2e7k n GLY 7 Ca -0.02 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 2e7k n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2e7k n ARG 8 N 0.00 3.38 -1.00 1.61 1.85 -1.25 -4.95 116.66 116.30 2e7k n ARG 8 Ca 0.00 -4.86 -0.47 0.00 -1.00 0.00 0.00 57.85 51.53 2e7k n ARG 8 Cb 0.00 -2.25 -0.09 0.00 -1.05 0.00 0.00 32.46 29.06 2e7k n ARG 8 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 2e7k n MET 9 N -0.22 0.00 -3.54 2.89 2.81 -1.26 -4.63 117.12 113.17 2e7k n MET 9 Ca 0.32 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.81 2e7k n MET 9 Cb 0.38 -1.15 -0.11 0.00 -0.71 0.00 0.00 33.22 31.63 2e7k n MET 9 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2e7k s VAL 10 N 4.41 5.19 -0.17 2.03 1.01 -0.95 -4.89 120.40 127.03 2e7k s VAL 10 Ca 0.91 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 2e7k s VAL 10 Cb -1.15 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 2e7k s VAL 10 CO 0.52 -0.02 0.34 -0.83 0.00 0.00 0.00 175.10 175.10 2e7k s GLY 11 N 1.70 2.19 -0.03 4.51 0.00 -1.26 -2.53 107.32 111.90 2e7k s GLY 11 Ca 0.06 -0.45 0.06 0.00 0.00 0.00 0.00 44.72 44.38 2e7k s GLY 11 CO 0.10 0.57 -0.22 -0.42 0.00 0.00 0.00 173.10 173.13 2e7k s ILE 12 N 0.73 1.77 -0.60 0.90 1.01 -0.89 -4.99 121.20 119.14 2e7k s ILE 12 Ca 0.18 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 2e7k s ILE 12 Cb -0.14 -1.49 0.51 0.00 0.01 0.00 0.00 42.46 41.36 2e7k s ILE 12 CO 0.06 0.50 1.98 -2.11 0.00 0.00 0.00 174.94 175.37 2e7k n ARG 13 N 2.78 2.57 -0.33 2.79 1.85 -1.26 -2.43 116.66 122.63 2e7k n ARG 13 Ca -0.17 -3.23 -0.29 0.00 -1.00 0.00 0.00 57.85 53.16 2e7k n ARG 13 Cb 0.52 -2.25 0.28 0.00 -1.05 0.00 0.00 32.46 29.96 2e7k n ARG 13 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2e7k n LYS 14 N -0.98 -3.96 -4.22 2.89 2.85 -1.26 -4.96 118.16 108.52 2e7k n LYS 14 Ca 0.61 -1.16 -0.20 0.00 -1.05 0.00 0.00 58.31 56.51 2e7k n LYS 14 Cb 0.96 -1.98 -0.12 0.00 -0.65 0.00 0.00 35.03 33.23 2e7k n LYS 14 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2e7k s THR 15 N -2.21 1.32 -0.57 0.58 2.01 -1.26 -4.03 115.64 111.48 2e7k s THR 15 Ca 0.67 -1.37 -0.35 0.00 0.31 0.00 0.00 61.69 60.94 2e7k s THR 15 Cb -0.17 -1.24 -0.15 0.00 0.01 0.00 0.00 72.50 70.95 2e7k s THR 15 CO 0.59 -0.16 2.33 0.00 -0.69 0.00 0.00 174.62 176.70 2e7k n ALA 16 N 1.24 0.63 0.00 7.40 0.00 -1.26 -2.14 120.51 126.38 2e7k n ALA 16 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2e7k n ALA 16 Cb 0.54 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 6.72 0.93 2.92 0.00 0.00 -0.93 -5.04 105.19 109.79 2e7k n GLY 17 Ca 0.51 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 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 0.13 1.14 0.22 1.61 0.41 -0.91 -5.06 118.70 116.25 2e7k s GLU 18 Ca 0.00 -0.19 0.01 0.00 -0.41 0.00 0.00 54.97 54.38 2e7k s GLU 18 Cb 0.00 -1.10 -0.04 0.00 -1.78 0.00 0.00 34.13 31.21 2e7k s GLU 18 CO 0.00 -0.09 0.39 -1.01 -0.49 0.00 0.00 175.26 174.06 2e7k s HIS 19 N 1.04 3.48 0.00 1.61 3.76 -1.26 -3.85 115.29 120.07 2e7k s HIS 19 Ca -0.09 0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2e7k s HIS 19 Cb -0.14 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.77 2e7k s HIS 19 CO -0.00 0.37 0.00 1.28 -0.85 0.00 0.00 174.74 175.54 2e7k n LEU 20 N -0.94 0.01 0.00 0.89 4.32 -1.26 -4.51 117.00 115.51 2e7k n LEU 20 Ca -0.06 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 2e7k n LEU 20 Cb 0.55 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2e7k n LEU 20 CO 0.48 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.77 2e7k n GLY 21 N 1.67 0.52 3.08 -0.72 0.00 -1.26 -3.04 105.19 105.44 2e7k n GLY 21 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.14 0.05 -0.19 1.61 -7.23 -1.26 -0.79 120.40 112.45 2e7k s VAL 22 Ca 0.00 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 2e7k s VAL 22 Cb 0.00 -0.36 -0.00 0.00 0.56 0.00 0.00 36.38 36.58 2e7k s VAL 22 CO 0.00 -0.23 -0.10 0.42 -0.31 0.00 0.00 175.10 174.88 2e7k s THR 23 N -0.80 2.96 0.40 5.32 -4.23 0.24 -4.97 115.64 114.57 2e7k s THR 23 Ca -0.09 -0.65 0.08 0.00 -1.18 0.00 0.00 61.69 59.85 2e7k s THR 23 Cb -0.05 -2.30 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 2e7k s THR 23 CO 0.01 0.48 0.50 -0.36 -0.54 0.00 0.00 174.62 174.71 2e7k s PHE 24 N 1.14 2.87 0.01 3.99 0.08 -1.26 0.43 117.98 125.25 2e7k s PHE 24 Ca 0.01 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 2e7k s PHE 24 Cb -0.14 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.07 2e7k s PHE 24 CO -0.03 -0.25 0.03 -0.98 -0.10 0.00 0.00 175.22 173.89 2e7k s ARG 25 N -4.26 0.36 -0.33 0.44 1.70 -0.57 -4.70 118.95 111.60 2e7k s ARG 25 Ca 0.51 -0.52 -0.09 0.00 -0.47 0.00 0.00 55.73 55.16 2e7k s ARG 25 Cb -0.09 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 2e7k s ARG 25 CO 0.31 -0.07 0.16 0.08 -1.08 0.00 0.00 175.30 174.70 2e7k s VAL 26 N -1.39 4.46 -0.22 4.99 1.01 -1.26 -2.97 120.40 125.03 2e7k s VAL 26 Ca -0.15 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.30 2e7k s VAL 26 Cb -0.09 -3.36 0.43 0.00 0.00 0.00 0.00 36.38 33.36 2e7k s VAL 26 CO -0.00 -0.04 1.24 -0.62 0.00 0.00 0.00 175.10 175.68 2e7k n GLU 27 N 4.96 1.61 0.00 2.72 1.02 -1.26 -5.02 120.64 124.67 2e7k n GLU 27 Ca -0.13 -3.30 0.00 0.00 -0.02 0.00 0.00 57.16 53.71 2e7k n GLU 27 Cb 0.48 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2e7k n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e7k n GLY 28 N -1.12 -0.21 0.96 0.62 0.00 -1.26 -4.90 105.19 99.27 2e7k n GLY 28 Ca 0.20 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 3.19 3.34 -0.02 0.00 -1.26 -5.02 105.19 105.42 2e7k n GLY 29 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.72 1.29 -0.20 1.61 4.04 -1.26 -4.98 118.70 117.48 2e7k s GLU 30 Ca 0.35 -1.45 0.01 0.00 0.04 0.00 0.00 54.97 53.92 2e7k s GLU 30 Cb 0.36 0.34 0.04 0.00 0.02 0.00 0.00 34.13 34.89 2e7k s GLU 30 CO -0.11 -0.47 -0.14 -0.51 -1.84 0.00 0.00 175.26 172.20 2e7k s LEU 31 N -3.09 2.47 0.21 1.83 1.43 -1.26 -4.15 118.68 116.11 2e7k s LEU 31 Ca 0.31 -0.90 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2e7k s LEU 31 Cb 0.04 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2e7k s LEU 31 CO 0.09 -0.10 0.03 0.54 0.23 0.00 0.00 176.35 177.14 2e7k s VAL 32 N 1.30 3.77 -0.81 -1.59 0.11 -1.16 -1.78 120.40 120.24 2e7k s VAL 32 Ca -0.01 -1.54 -0.24 0.00 -2.93 0.00 0.00 61.98 57.26 2e7k s VAL 32 Cb -0.16 -2.95 0.06 0.00 -1.53 0.00 0.00 36.38 31.80 2e7k s VAL 32 CO -0.09 -0.21 1.22 -0.63 -3.33 0.00 0.00 175.10 172.06 2e7k s ILE 33 N -1.94 4.04 0.07 7.04 1.01 -1.09 -1.51 121.20 128.81 2e7k s ILE 33 Ca 0.29 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.38 2e7k s ILE 33 Cb -0.08 -4.88 -0.16 0.00 0.01 0.00 0.00 42.46 37.34 2e7k s ILE 33 CO 0.20 -1.74 1.64 0.00 0.00 0.00 0.00 174.94 175.05 2e7k h ALA 34 N 9.71 -0.22 -2.55 9.38 0.00 -0.30 -3.15 119.26 132.13 2e7k h ALA 34 Ca -0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2e7k h ALA 34 Cb 1.04 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2e7k h ALA 34 CO 1.27 -0.59 -0.34 0.50 0.00 0.00 0.00 179.25 180.09 2e7k s ARG 35 N -5.90 0.92 -0.22 0.00 3.52 -0.60 -4.91 118.95 111.75 2e7k s ARG 35 Ca -0.14 -0.98 -0.01 0.00 -0.13 0.00 0.00 55.73 54.46 2e7k s ARG 35 Cb 0.05 0.36 0.07 0.00 -1.56 0.00 0.00 34.95 33.86 2e7k s ARG 35 CO 0.64 -0.31 0.02 0.42 -0.81 0.00 0.00 175.30 175.26 2e7k s ILE 36 N -3.88 0.90 0.83 4.11 1.01 -1.26 -0.59 121.20 122.32 2e7k s ILE 36 Ca 0.07 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 2e7k s ILE 36 Cb 0.04 -1.36 -0.08 0.00 0.01 0.00 0.00 42.46 41.07 2e7k s ILE 36 CO -0.09 -0.24 -0.06 0.18 0.00 0.00 0.00 174.94 174.73 2e7k n LEU 37 N 4.90 -2.48 -4.41 2.97 4.32 0.03 -4.89 117.00 117.45 2e7k n LEU 37 Ca -0.09 0.41 -0.44 0.00 -0.02 0.00 0.00 56.01 55.87 2e7k n LEU 37 Cb 0.45 -1.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.20 2e7k n LEU 37 CO 0.14 -4.50 0.28 -2.28 -1.22 0.00 0.00 177.39 169.82 2e7k s HIS 38 N -2.06 3.08 0.00 -1.77 2.46 -1.26 -4.53 115.29 111.22 2e7k s HIS 38 Ca 0.54 -0.78 0.00 0.00 0.47 0.00 0.00 55.06 55.29 2e7k s HIS 38 Cb -0.29 -3.62 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 2e7k s HIS 38 CO 0.70 -1.06 0.00 0.41 -2.47 0.00 0.00 174.74 172.32 2e7k n GLY 39 N 5.21 0.92 0.00 1.59 0.00 -1.26 -5.10 105.19 106.55 2e7k n GLY 39 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.02 -0.71 0.20 -0.02 0.00 -1.26 -4.95 105.19 98.47 2e7k n GLY 40 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.40 0.65 1.61 1.85 -1.77 -1.45 114.93 115.43 2e7k h MET 41 Ca 0.00 0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 2e7k h MET 41 Cb 0.00 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 2e7k h MET 41 CO 0.00 -0.27 -0.45 0.28 -0.40 0.00 0.00 176.91 176.07 2e7k h VAL 42 N -0.41 0.09 -0.88 -5.77 2.07 -1.83 0.29 116.25 109.81 2e7k h VAL 42 Ca -0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 2e7k h VAL 42 Cb 0.35 0.09 -0.16 0.00 -1.52 0.00 0.00 31.29 30.06 2e7k h VAL 42 CO -0.02 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.32 2e7k n ALA 43 N -2.71 0.12 0.03 1.67 0.00 -1.23 0.10 120.51 118.50 2e7k n ALA 43 Ca -0.13 0.95 -0.13 0.00 0.00 0.00 0.00 53.44 54.12 2e7k n ALA 43 Cb 0.46 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 2e7k n ALA 43 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e7k h GLN 44 N 0.00 0.56 -6.17 0.00 1.08 -1.02 -3.42 115.11 106.13 2e7k h GLN 44 Ca 0.39 -0.47 -0.60 0.00 -1.45 0.00 0.00 58.65 56.52 2e7k h GLN 44 Cb 0.61 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 28.04 2e7k h GLN 44 CO -0.90 1.10 0.60 -0.65 -0.95 0.00 0.00 178.83 178.03 2e7k s GLN 45 N -3.61 3.57 -0.02 1.46 -1.52 0.28 -4.91 119.66 114.91 2e7k s GLN 45 Ca -0.07 0.21 -0.00 0.00 -1.95 0.00 0.00 55.36 53.55 2e7k s GLN 45 Cb 0.09 -3.91 0.01 0.00 -0.22 0.00 0.00 33.01 28.98 2e7k s GLN 45 CO 0.87 -1.21 1.89 0.41 -0.25 0.00 0.00 175.29 177.00 2e7k n GLY 46 N 4.88 2.53 0.14 3.09 0.00 -1.26 -3.87 105.19 110.70 2e7k n GLY 46 Ca 0.06 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.32 2.33 -4.84 0.99 4.77 -1.26 -4.99 117.00 115.32 2e7k n LEU 47 Ca 0.02 0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 2e7k n LEU 47 Cb 0.51 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 2e7k n LEU 47 CO 0.02 0.71 -0.19 -0.76 -1.33 0.00 0.00 177.39 175.83 2e7k s LEU 48 N -7.16 3.99 0.24 2.23 1.43 -1.25 -5.12 118.68 113.04 2e7k s LEU 48 Ca -0.37 0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 2e7k s LEU 48 Cb 0.13 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2e7k s LEU 48 CO 0.54 0.10 0.80 -1.00 0.23 0.00 0.00 176.35 177.01 2e7k s HIS 49 N -1.63 -0.17 0.19 0.29 3.76 -1.26 -4.91 115.29 111.55 2e7k s HIS 49 Ca 0.32 -0.24 -0.32 0.00 -0.15 0.00 0.00 55.06 54.66 2e7k s HIS 49 Cb -0.11 0.69 -0.15 0.00 1.11 0.00 0.00 32.58 34.12 2e7k s HIS 49 CO 0.25 -1.11 1.24 0.28 -0.85 0.00 0.00 174.74 174.55 2e7k n VAL 50 N -0.46 0.90 0.00 -0.90 0.31 -1.26 -1.72 118.33 115.20 2e7k n VAL 50 Ca -0.05 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2e7k n VAL 50 Cb 0.60 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 2.07 2.51 3.67 2.92 0.00 -1.19 -4.99 105.19 110.18 2e7k n GLY 51 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 2e7k n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2e7k n ASP 52 N 0.00 2.93 -4.56 1.61 8.00 -0.70 -4.38 116.55 119.46 2e7k n ASP 52 Ca 0.00 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.28 2e7k n ASP 52 Cb 0.00 -1.43 -0.11 0.00 -0.02 0.00 0.00 41.12 39.56 2e7k n ASP 52 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2e7k s ILE 53 N 0.36 4.30 -0.49 0.53 -1.09 -1.11 -2.69 121.20 121.00 2e7k s ILE 53 Ca 0.73 -0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.75 2e7k s ILE 53 Cb -0.66 -2.91 0.05 0.00 -1.58 0.00 0.00 42.46 37.36 2e7k s ILE 53 CO 0.45 0.48 0.61 -0.63 -1.23 0.00 0.00 174.94 174.61 2e7k s ILE 54 N 0.38 4.89 -0.10 2.92 1.01 -0.73 0.26 121.20 129.83 2e7k s ILE 54 Ca -0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 2e7k s ILE 54 Cb -0.13 -4.27 -0.15 0.00 0.01 0.00 0.00 42.46 37.91 2e7k s ILE 54 CO 0.02 -0.76 0.58 0.50 0.00 0.00 0.00 174.94 175.27 2e7k h LYS 55 N 8.96 -0.06 -4.00 2.79 1.63 -1.40 -3.38 116.57 121.11 2e7k h LYS 55 Ca -0.27 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.40 2e7k h LYS 55 Cb 1.10 0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 32.63 2e7k h LYS 55 CO 0.95 0.49 -0.30 -1.83 -3.45 0.00 0.00 179.45 175.30 2e7k s GLU 56 N -2.37 1.44 -0.05 1.90 -1.05 -1.23 -4.41 118.70 112.92 2e7k s GLU 56 Ca -0.12 -1.40 -0.02 0.00 -0.15 0.00 0.00 54.97 53.28 2e7k s GLU 56 Cb -0.01 0.40 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2e7k s GLU 56 CO 0.43 -0.56 0.09 0.08 0.95 0.00 0.00 175.26 176.25 2e7k s VAL 57 N -4.04 -0.16 -1.57 1.83 1.01 0.77 -0.73 120.40 117.51 2e7k s VAL 57 Ca 0.29 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2e7k s VAL 57 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.20 2e7k s VAL 57 CO 0.10 0.17 0.00 0.59 0.00 0.00 0.00 175.10 175.96 2e7k n ASN 58 N 5.27 -4.95 -0.75 3.32 3.02 -0.87 -1.87 115.26 118.44 2e7k n ASN 58 Ca -0.04 0.16 -0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2e7k n ASN 58 Cb 0.50 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 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 -0.77 0.72 3.48 7.41 0.00 -1.26 -5.05 105.19 109.72 2e7k n GLY 59 Ca -0.20 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.57 1.12 0.59 1.61 -0.21 -0.78 -5.16 119.66 112.26 2e7k s GLN 60 Ca 0.00 0.02 -0.18 0.00 0.02 0.00 0.00 55.36 55.23 2e7k s GLN 60 Cb -0.00 0.52 -0.04 0.00 1.00 0.00 0.00 33.01 34.50 2e7k s GLN 60 CO 0.01 -0.40 1.12 -1.25 -2.12 0.00 0.00 175.29 172.65 2e7k s PRO 61 N -2.00 3.14 -0.02 2.91 0.04 -1.26 -0.17 135.00 137.65 2e7k s PRO 61 Ca -0.07 1.52 0.22 0.00 0.04 0.00 0.00 61.00 62.71 2e7k s PRO 61 Cb -0.00 -1.98 -0.30 0.00 0.04 0.00 0.00 34.50 32.25 2e7k s PRO 61 CO 0.03 -1.00 0.52 1.33 0.04 0.00 0.00 177.00 177.91 2e7k n VAL 62 N -1.74 0.13 -0.29 -0.36 0.24 -1.26 -4.80 118.33 110.25 2e7k n VAL 62 Ca 0.11 -0.52 0.04 0.00 -2.04 0.00 0.00 64.34 61.93 2e7k n VAL 62 Cb 0.51 -0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.81 2e7k n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2e7k n GLY 63 N 1.28 -1.48 1.86 7.63 0.00 -1.26 -4.30 105.19 108.92 2e7k n GLY 63 Ca -0.05 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 2e7k n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e7k n SER 64 N -1.81 3.72 -4.03 1.61 3.41 -1.26 -4.76 113.62 110.50 2e7k n SER 64 Ca 0.00 -3.12 -0.32 0.00 -0.26 0.00 0.00 58.87 55.17 2e7k n SER 64 Cb 0.13 -0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 63.20 2e7k n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2e7k s ASP 65 N -0.69 4.82 0.08 4.04 2.15 -1.26 -4.92 116.67 120.89 2e7k s ASP 65 Ca 0.42 -2.20 -0.16 0.00 0.43 0.00 0.00 52.55 51.04 2e7k s ASP 65 Cb 0.35 -1.66 -0.10 0.00 -0.30 0.00 0.00 42.92 41.21 2e7k s ASP 65 CO 0.09 -0.40 1.40 1.55 -0.17 0.00 0.00 175.17 177.64 2e7k h PRO 66 N 7.61 0.61 -0.31 4.34 0.13 -1.90 -2.33 132.00 140.15 2e7k h PRO 66 Ca -0.06 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2e7k h PRO 66 Cb 1.02 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2e7k h PRO 66 CO 0.56 0.92 0.19 0.00 -0.23 0.00 0.00 178.00 179.44 2e7k h ARG 67 N 0.32 0.41 0.02 0.86 3.08 -1.93 -1.54 114.38 115.60 2e7k h ARG 67 Ca 0.04 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 2e7k h ARG 67 Cb 0.80 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2e7k h ARG 67 CO 0.06 0.28 -0.94 0.00 -1.07 0.00 0.00 179.97 178.30 2e7k h ALA 68 N 1.80 0.45 0.45 0.04 0.00 -1.95 -3.28 119.26 116.76 2e7k h ALA 68 Ca 0.11 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2e7k h ALA 68 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2e7k h ALA 68 CO -0.02 1.05 -0.22 1.25 0.00 0.00 0.00 179.25 181.31 2e7k h LEU 69 N 0.04 -0.51 -1.47 0.00 5.85 -0.74 -2.43 115.31 116.04 2e7k h LEU 69 Ca -0.04 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2e7k h LEU 69 Cb 1.62 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 2e7k h LEU 69 CO 0.13 -0.12 0.58 1.56 -0.34 0.00 0.00 178.44 180.26 2e7k h GLN 70 N -1.00 0.00 0.03 1.25 4.20 -1.46 0.87 115.11 119.00 2e7k h GLN 70 Ca -0.06 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.37 2e7k h GLN 70 Cb 0.57 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 2e7k h GLN 70 CO 0.10 0.00 -1.49 0.93 -0.67 0.00 0.00 178.83 177.70 2e7k h GLU 71 N 0.00 0.06 -0.82 1.46 5.08 -1.57 -3.31 114.58 115.48 2e7k h GLU 71 Ca 0.08 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2e7k h GLU 71 Cb 1.23 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2e7k h GLU 71 CO -0.00 0.79 0.45 1.37 -1.00 0.00 0.00 179.01 180.62 2e7k h LEU 72 N 0.02 1.02 -0.63 1.33 8.10 0.13 -2.48 115.31 122.79 2e7k h LEU 72 Ca -0.21 -0.09 -0.10 0.00 0.11 0.00 0.00 57.88 57.59 2e7k h LEU 72 Cb 1.95 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 41.89 2e7k h LEU 72 CO 0.11 0.82 -0.02 -0.07 -4.11 0.00 0.00 178.44 175.17 2e7k h LEU 73 N 1.15 1.04 0.30 0.17 3.38 -1.63 0.76 115.31 120.47 2e7k h LEU 73 Ca 0.29 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2e7k h LEU 73 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2e7k h LEU 73 CO -0.05 1.10 -0.32 -0.09 0.09 0.00 0.00 178.44 179.17 2e7k h ARG 74 N 0.96 -0.60 -0.09 1.13 2.43 -1.53 -2.67 114.38 114.00 2e7k h ARG 74 Ca 0.17 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2e7k h ARG 74 Cb 0.58 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2e7k h ARG 74 CO 0.03 -0.40 -0.22 -0.91 -1.51 0.00 0.00 179.97 176.97 2e7k h ASN 75 N -0.62 0.14 -1.32 -3.80 2.35 -1.56 -2.47 115.58 108.31 2e7k h ASN 75 Ca -0.04 -0.03 -0.69 0.00 -0.55 0.00 0.00 56.30 54.99 2e7k h ASN 75 Cb 0.55 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2e7k h ASN 75 CO -0.05 0.37 1.22 0.00 -1.65 0.00 0.00 177.43 177.32 2e7k n ALA 76 N -2.49 0.64 -2.57 -0.83 0.00 0.26 -4.60 120.51 110.92 2e7k n ALA 76 Ca -0.01 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 2e7k n ALA 76 Cb 0.31 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 17.23 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 5.70 4.45 0.00 0.00 0.15 -1.26 -4.44 113.70 118.29 2e7k s SER 77 Ca 1.04 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2e7k s SER 77 Cb -0.92 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2e7k s SER 77 CO 0.55 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.85 2e7k n GLY 78 N 1.33 -1.97 3.59 9.45 0.00 -1.26 -4.84 105.19 111.50 2e7k n GLY 78 Ca -0.15 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.73 5.48 -0.13 1.61 0.01 -1.26 -4.42 113.70 111.25 2e7k s SER 79 Ca 0.00 1.31 -0.07 0.00 1.31 0.00 0.00 55.95 58.50 2e7k s SER 79 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2e7k s SER 79 CO 0.00 -2.03 0.13 -0.69 0.41 0.00 0.00 173.24 171.05 2e7k s VAL 80 N 8.33 5.41 -0.04 3.43 1.01 -1.02 -4.95 120.40 132.57 2e7k s VAL 80 Ca 0.86 0.18 0.04 0.00 0.00 0.00 0.00 61.98 63.06 2e7k s VAL 80 Cb -0.23 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2e7k s VAL 80 CO 0.31 0.59 -0.13 -0.63 0.00 0.00 0.00 175.10 175.24 2e7k s ILE 81 N -0.77 3.14 -0.17 2.22 1.09 -1.26 -2.10 121.20 123.35 2e7k s ILE 81 Ca 0.14 -0.74 -0.00 0.00 -1.10 0.00 0.00 60.65 58.94 2e7k s ILE 81 Cb -0.12 -2.25 0.04 0.00 -1.06 0.00 0.00 42.46 39.07 2e7k s ILE 81 CO 0.03 0.56 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.60 2e7k s LEU 82 N -0.84 1.76 -0.42 2.97 1.43 -1.05 -2.05 118.68 120.48 2e7k s LEU 82 Ca 0.12 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 2e7k s LEU 82 Cb -0.11 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2e7k s LEU 82 CO 0.01 -0.17 0.87 -0.75 0.23 0.00 0.00 176.35 176.54 2e7k s LYS 83 N 1.58 3.61 0.27 1.70 2.20 0.09 -2.24 119.74 126.95 2e7k s LYS 83 Ca 0.01 0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.89 2e7k s LYS 83 Cb -0.15 -3.88 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 2e7k s LYS 83 CO -0.08 -1.07 0.34 0.42 -0.36 0.00 0.00 175.35 174.60 2e7k s ILE 84 N 3.47 4.75 -0.17 5.43 -1.09 -1.26 -1.04 121.20 131.28 2e7k s ILE 84 Ca 0.34 -1.10 -0.07 0.00 -2.23 0.00 0.00 60.65 57.59 2e7k s ILE 84 Cb -0.11 -3.63 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2e7k s ILE 84 CO 0.22 -0.29 0.39 -0.76 -1.23 0.00 0.00 174.94 173.27 2e7k s LEU 85 N -3.99 -0.36 0.40 2.97 1.02 0.14 -3.84 118.68 115.03 2e7k s LEU 85 Ca 0.36 0.88 -0.23 0.00 0.02 0.00 0.00 54.13 55.17 2e7k s LEU 85 Cb -0.09 1.23 -0.13 0.00 0.02 0.00 0.00 46.19 47.23 2e7k s LEU 85 CO 0.28 -0.22 0.57 -0.24 0.02 0.00 0.00 176.35 176.77 2e7k n SER 86 N 4.95 -0.78 -4.74 2.29 2.88 -1.26 -2.77 113.62 114.20 2e7k n SER 86 Ca -0.14 0.93 -0.32 0.00 -1.33 0.00 0.00 58.87 58.01 2e7k n SER 86 Cb 0.52 -1.12 -0.08 0.00 -0.75 0.00 0.00 64.21 62.78 2e7k n SER 86 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e7k s GLY 87 N -0.93 2.92 0.17 0.46 0.00 -1.26 -4.86 107.32 103.83 2e7k s GLY 87 Ca 0.63 -0.76 -0.30 0.00 0.00 0.00 0.00 44.72 44.29 2e7k s GLY 87 CO 0.58 -2.18 1.32 2.56 0.00 0.00 0.00 173.10 175.39 2e7k s PRO 88 N -3.85 4.38 -0.13 2.90 0.04 -1.26 -4.97 135.00 132.11 2e7k s PRO 88 Ca 0.12 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.00 2e7k s PRO 88 Cb 0.03 -3.21 -0.18 0.00 0.04 0.00 0.00 34.50 31.18 2e7k s PRO 88 CO 0.06 -0.29 0.51 0.66 0.04 0.00 0.00 177.00 177.98 2e7k h SER 89 N 5.75 0.00 -3.07 6.66 4.64 -2.00 -3.46 113.55 122.06 2e7k h SER 89 Ca -0.44 -0.67 -0.53 0.00 -0.47 0.00 0.00 61.79 59.67 2e7k h SER 89 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2e7k h SER 89 CO 0.79 0.86 -0.23 -0.55 -0.87 0.00 0.00 176.83 176.83 2e7k s SER 90 N -6.03 6.44 0.00 4.97 0.15 -1.26 -5.24 113.70 112.73 2e7k s SER 90 Ca -0.13 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2e7k s SER 90 Cb -0.02 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2e7k s SER 90 CO 0.47 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.42