#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 -4.75 -4.85 1.61 2.88 -1.26 -4.97 113.62 102.27 2e7k n SER 2 Ca 0.00 -0.66 -0.37 0.00 -1.33 0.00 0.00 58.87 56.51 2e7k n SER 2 Cb 0.00 -4.55 -0.06 0.00 -0.75 0.00 0.00 64.21 58.85 2e7k n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e7k s SER 3 N -3.56 6.44 -0.17 -3.46 1.04 -1.26 -5.08 113.70 107.65 2e7k s SER 3 Ca 0.48 0.52 -0.05 0.00 0.48 0.00 0.00 55.95 57.38 2e7k s SER 3 Cb -0.22 -2.10 0.06 0.00 0.10 0.00 0.00 66.02 63.85 2e7k s SER 3 CO 0.77 0.36 0.09 -0.83 0.98 0.00 0.00 173.24 174.61 2e7k s GLY 4 N -0.83 0.37 -0.22 7.32 0.00 -1.26 -4.98 107.32 107.71 2e7k s GLY 4 Ca 0.16 -0.32 -0.16 0.00 0.00 0.00 0.00 44.72 44.39 2e7k s GLY 4 CO 0.05 1.72 -0.29 -1.26 0.00 0.00 0.00 173.10 173.31 2e7k n SER 5 N 5.27 1.93 -4.55 1.64 2.88 -1.26 -4.70 113.62 114.83 2e7k n SER 5 Ca -0.07 0.37 -0.34 0.00 -1.33 0.00 0.00 58.87 57.50 2e7k n SER 5 Cb 0.49 -0.80 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 2e7k n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e7k s SER 6 N -6.65 4.77 1.21 -3.46 0.01 -1.26 -4.70 113.70 103.62 2e7k s SER 6 Ca -0.32 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2e7k s SER 6 Cb 0.09 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2e7k s SER 6 CO 0.45 -2.77 0.00 0.61 0.41 0.00 0.00 173.24 171.94 2e7k n GLY 7 N 6.04 1.39 2.68 3.44 0.00 -1.26 -4.47 105.19 113.01 2e7k n GLY 7 Ca 0.31 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 0.73 -0.21 1.61 3.52 -0.67 -4.92 118.95 119.01 2e7k s ARG 8 Ca 0.00 -1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 54.12 2e7k s ARG 8 Cb 0.00 -1.89 -0.00 0.00 -1.56 0.00 0.00 34.95 31.50 2e7k s ARG 8 CO 0.00 -1.04 1.20 -1.64 -0.81 0.00 0.00 175.30 173.01 2e7k s MET 9 N 1.41 4.18 -0.20 5.12 -1.94 -1.26 -2.28 119.30 124.34 2e7k s MET 9 Ca 0.12 1.49 0.00 0.00 -1.71 0.00 0.00 55.69 55.59 2e7k s MET 9 Cb -0.19 -3.75 0.02 0.00 2.01 0.00 0.00 34.83 32.92 2e7k s MET 9 CO -0.20 -0.76 -0.15 0.08 -0.01 0.00 0.00 175.02 173.98 2e7k s VAL 10 N 3.57 2.38 -0.23 -6.03 1.01 -0.51 -4.89 120.40 115.69 2e7k s VAL 10 Ca 0.52 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2e7k s VAL 10 Cb -0.19 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2e7k s VAL 10 CO 0.14 0.43 0.36 -0.83 0.00 0.00 0.00 175.10 175.20 2e7k s GLY 11 N 1.31 1.99 -0.03 4.51 0.00 -1.26 -1.19 107.32 112.67 2e7k s GLY 11 Ca 0.03 -0.68 0.07 0.00 0.00 0.00 0.00 44.72 44.15 2e7k s GLY 11 CO -0.10 0.83 -0.25 -0.42 0.00 0.00 0.00 173.10 173.16 2e7k s ILE 12 N 1.57 1.97 -0.94 0.90 1.01 0.35 -4.92 121.20 121.14 2e7k s ILE 12 Ca 0.16 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 2e7k s ILE 12 Cb -0.15 -1.64 0.25 0.00 0.01 0.00 0.00 42.46 40.93 2e7k s ILE 12 CO 0.08 0.56 0.95 -1.14 0.00 0.00 0.00 174.94 175.39 2e7k n ARG 13 N 2.55 3.07 -2.02 2.79 0.63 -1.26 -0.61 116.66 121.80 2e7k n ARG 13 Ca -0.16 -4.51 -0.19 0.00 -0.92 0.00 0.00 57.85 52.07 2e7k n ARG 13 Cb 0.51 -2.44 0.11 0.00 0.45 0.00 0.00 32.46 31.09 2e7k n ARG 13 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2e7k n LYS 14 N 2.08 -0.14 -5.04 -0.14 2.85 -1.26 -4.98 118.16 111.53 2e7k n LYS 14 Ca 0.24 -2.03 -0.30 0.00 -1.05 0.00 0.00 58.31 55.16 2e7k n LYS 14 Cb 0.37 -0.62 -0.15 0.00 -0.65 0.00 0.00 35.03 33.98 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 -2.53 2.15 -0.35 0.58 2.01 -1.26 -3.83 115.64 112.42 2e7k s THR 15 Ca 0.53 -1.28 -0.36 0.00 0.31 0.00 0.00 61.69 60.89 2e7k s THR 15 Cb -0.03 -1.80 -0.12 0.00 0.01 0.00 0.00 72.50 70.56 2e7k s THR 15 CO 0.36 0.44 2.14 0.00 -0.69 0.00 0.00 174.62 176.87 2e7k n ALA 16 N 2.01 0.92 0.00 7.40 0.00 -1.26 -2.18 120.51 127.40 2e7k n ALA 16 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2e7k n ALA 16 Cb 0.52 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 6.39 0.97 3.27 0.00 0.00 -1.17 -5.07 105.19 109.58 2e7k n GLY 17 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 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 0.06 1.37 0.02 1.61 8.01 -0.92 -5.10 118.70 123.74 2e7k s GLU 18 Ca 0.00 -1.00 0.03 0.00 0.01 0.00 0.00 54.97 54.00 2e7k s GLU 18 Cb 0.00 -1.53 -0.04 0.00 -4.31 0.00 0.00 34.13 28.25 2e7k s GLU 18 CO 0.00 0.38 -0.03 -1.58 0.01 0.00 0.00 175.26 174.05 2e7k s HIS 19 N -0.87 2.98 -0.04 1.61 2.46 -1.26 -4.12 115.29 116.06 2e7k s HIS 19 Ca 0.08 0.02 -0.09 0.00 0.47 0.00 0.00 55.06 55.53 2e7k s HIS 19 Cb -0.09 -1.62 -0.05 0.00 -0.13 0.00 0.00 32.58 30.68 2e7k s HIS 19 CO 0.02 0.43 0.47 -0.07 -2.47 0.00 0.00 174.74 173.12 2e7k h LEU 20 N 4.27 -0.29 0.00 8.88 -0.00 -1.99 -3.41 115.31 122.78 2e7k h LEU 20 Ca -0.49 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2e7k h LEU 20 Cb 1.17 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2e7k h LEU 20 CO 0.56 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.66 2e7k n GLY 21 N 0.73 0.68 3.39 0.83 0.00 -1.26 -2.76 105.19 106.79 2e7k n GLY 21 Ca -0.04 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.75 0.00 -0.08 1.61 -7.23 -1.26 -1.23 120.40 111.45 2e7k s VAL 22 Ca 0.00 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2e7k s VAL 22 Cb 0.00 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.43 2e7k s VAL 22 CO 0.00 0.00 -0.00 0.42 -0.31 0.00 0.00 175.10 175.21 2e7k s THR 23 N -3.41 0.43 0.14 5.32 -4.23 0.07 -4.93 115.64 109.04 2e7k s THR 23 Ca 0.34 0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2e7k s THR 23 Cb 0.02 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 2e7k s THR 23 CO 0.21 0.24 0.32 -0.36 -0.54 0.00 0.00 174.62 174.48 2e7k s PHE 24 N 1.95 3.49 -0.06 3.99 0.08 -1.26 0.13 117.98 126.30 2e7k s PHE 24 Ca 0.05 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.42 2e7k s PHE 24 Cb -0.13 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2e7k s PHE 24 CO -0.06 0.47 -0.13 -0.98 -0.10 0.00 0.00 175.22 174.43 2e7k s ARG 25 N -2.99 1.75 -0.61 0.44 1.70 0.49 -4.76 118.95 114.97 2e7k s ARG 25 Ca 0.37 -0.44 -0.17 0.00 -0.47 0.00 0.00 55.73 55.01 2e7k s ARG 25 Cb -0.12 -1.44 0.13 0.00 -0.57 0.00 0.00 34.95 32.95 2e7k s ARG 25 CO 0.28 0.05 0.64 0.54 -1.08 0.00 0.00 175.30 175.73 2e7k s VAL 26 N 0.59 5.05 -0.62 4.99 0.11 -1.26 -2.74 120.40 126.52 2e7k s VAL 26 Ca -0.14 -1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 57.54 2e7k s VAL 26 Cb -0.15 -4.44 0.44 0.00 -1.53 0.00 0.00 36.38 30.70 2e7k s VAL 26 CO 0.04 -1.03 1.90 -1.84 -3.33 0.00 0.00 175.10 170.84 2e7k n GLU 27 N 5.67 2.84 0.00 1.54 -0.00 -1.25 -4.96 120.64 124.48 2e7k n GLU 27 Ca -0.08 -3.45 0.00 0.00 -0.00 0.00 0.00 57.16 53.63 2e7k n GLU 27 Cb 0.42 -2.29 0.00 0.00 -0.00 0.00 0.00 31.44 29.57 2e7k n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2e7k n GLY 28 N -0.86 0.57 0.83 -1.84 0.00 -1.26 -4.85 105.19 97.77 2e7k n GLY 28 Ca 0.59 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 4.87 3.25 -0.02 0.00 -1.26 -5.02 105.19 107.02 2e7k n GLY 29 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.15 0.96 -0.10 1.61 -1.05 -1.26 -5.00 118.70 110.70 2e7k s GLU 30 Ca 0.41 -1.04 0.04 0.00 -0.15 0.00 0.00 54.97 54.23 2e7k s GLU 30 Cb 0.37 0.35 -0.00 0.00 -0.44 0.00 0.00 34.13 34.41 2e7k s GLU 30 CO -0.01 -0.32 -0.23 -0.51 0.95 0.00 0.00 175.26 175.14 2e7k s LEU 31 N -2.90 2.16 0.05 1.83 1.43 -1.26 -3.78 118.68 116.21 2e7k s LEU 31 Ca 0.09 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2e7k s LEU 31 Cb 0.04 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2e7k s LEU 31 CO -0.07 0.17 -0.14 0.54 0.23 0.00 0.00 176.35 177.08 2e7k s VAL 32 N 0.28 1.12 -0.61 -1.59 0.11 -1.11 -1.73 120.40 116.87 2e7k s VAL 32 Ca -0.16 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 57.51 2e7k s VAL 32 Cb -0.17 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2e7k s VAL 32 CO 0.08 -0.07 1.69 -0.63 -3.33 0.00 0.00 175.10 172.84 2e7k s ILE 33 N -0.99 3.49 0.03 7.04 1.01 -1.20 -0.38 121.20 130.20 2e7k s ILE 33 Ca 0.00 0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 2e7k s ILE 33 Cb -0.09 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.06 2e7k s ILE 33 CO 0.02 -1.08 1.44 0.00 0.00 0.00 0.00 174.94 175.32 2e7k h ALA 34 N 13.38 0.08 -2.62 9.38 0.00 0.77 -2.84 119.26 137.40 2e7k h ALA 34 Ca -0.27 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 2e7k h ALA 34 Cb 1.13 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 2e7k h ALA 34 CO 1.21 -0.23 -0.52 0.50 0.00 0.00 0.00 179.25 180.20 2e7k s ARG 35 N -4.89 0.57 -0.29 0.00 3.52 -0.95 -4.88 118.95 112.03 2e7k s ARG 35 Ca -0.15 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 2e7k s ARG 35 Cb 0.04 0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.74 2e7k s ARG 35 CO 0.69 -0.14 0.02 0.42 -0.81 0.00 0.00 175.30 175.48 2e7k s ILE 36 N -2.48 1.62 0.01 4.11 1.01 -1.26 -0.75 121.20 123.46 2e7k s ILE 36 Ca -0.06 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.65 2e7k s ILE 36 Cb -0.02 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 2e7k s ILE 36 CO -0.04 -0.41 2.00 0.18 0.00 0.00 0.00 174.94 176.67 2e7k n LEU 37 N 4.58 4.09 -4.77 2.97 4.32 -0.37 -4.93 117.00 122.90 2e7k n LEU 37 Ca -0.04 0.84 -0.38 0.00 -0.02 0.00 0.00 56.01 56.41 2e7k n LEU 37 Cb 0.43 -1.53 -0.01 0.00 -1.62 0.00 0.00 43.42 40.69 2e7k n LEU 37 CO 0.18 0.13 0.85 -2.28 -1.22 0.00 0.00 177.39 175.05 2e7k s HIS 38 N 4.81 2.86 0.00 -1.77 2.46 -1.26 -4.10 115.29 118.29 2e7k s HIS 38 Ca 0.90 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.95 2e7k s HIS 38 Cb -0.43 -3.44 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 2e7k s HIS 38 CO 0.42 -1.62 0.00 0.41 -2.47 0.00 0.00 174.74 171.47 2e7k n GLY 39 N 0.52 0.87 0.00 1.59 0.00 -1.26 -5.04 105.19 101.87 2e7k n GLY 39 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.27 4.67 0.25 -0.02 0.00 -1.26 -5.03 105.19 103.53 2e7k n GLY 40 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.53 0.78 1.61 1.85 -1.75 -3.16 114.93 113.74 2e7k h MET 41 Ca 0.00 0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.09 2e7k h MET 41 Cb 0.00 0.12 0.01 0.00 0.43 0.00 0.00 31.60 32.16 2e7k h MET 41 CO 0.00 -0.23 -0.38 0.28 -0.40 0.00 0.00 176.91 176.18 2e7k h VAL 42 N -0.99 0.17 -0.99 -5.77 2.07 -1.84 0.11 116.25 109.01 2e7k h VAL 42 Ca -0.06 -0.11 0.37 0.00 0.82 0.00 0.00 66.70 67.72 2e7k h VAL 42 Cb 0.54 0.19 -0.13 0.00 -1.52 0.00 0.00 31.29 30.38 2e7k h VAL 42 CO 0.09 0.01 0.60 0.00 0.02 0.00 0.00 177.57 178.29 2e7k n ALA 43 N -2.60 0.99 -0.08 1.67 0.00 -1.26 -0.50 120.51 118.73 2e7k n ALA 43 Ca -0.14 0.75 -0.10 0.00 0.00 0.00 0.00 53.44 53.95 2e7k n ALA 43 Cb 0.43 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 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 0.00 -6.24 0.00 1.08 -1.46 -3.45 115.11 105.04 2e7k h GLN 44 Ca 0.70 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 57.34 2e7k h GLN 44 Cb 2.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.51 2e7k h GLN 44 CO -0.48 0.44 1.21 -0.65 -0.95 0.00 0.00 178.83 178.40 2e7k s GLN 45 N -2.13 3.80 -0.02 1.46 -1.52 0.35 -4.86 119.66 116.73 2e7k s GLN 45 Ca -0.16 1.99 -0.00 0.00 -1.95 0.00 0.00 55.36 55.23 2e7k s GLN 45 Cb 0.02 -4.11 0.00 0.00 -0.22 0.00 0.00 33.01 28.70 2e7k s GLN 45 CO 0.35 -1.31 2.09 0.41 -0.25 0.00 0.00 175.29 176.58 2e7k n GLY 46 N 4.75 2.64 0.12 3.09 0.00 -1.26 -4.03 105.19 110.51 2e7k n GLY 46 Ca 0.21 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 1.47 1.91 -4.97 0.99 4.77 -1.26 -5.00 117.00 114.90 2e7k n LEU 47 Ca 0.04 0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 56.23 2e7k n LEU 47 Cb 0.53 -0.88 -0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2e7k n LEU 47 CO 0.03 0.32 0.09 -0.76 -1.33 0.00 0.00 177.39 175.74 2e7k s LEU 48 N -7.74 3.65 0.06 2.23 1.43 -1.26 -5.11 118.68 111.95 2e7k s LEU 48 Ca -0.32 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.05 2e7k s LEU 48 Cb 0.10 -2.53 0.09 0.00 0.03 0.00 0.00 46.19 43.88 2e7k s LEU 48 CO 0.51 -0.66 0.92 -1.38 0.23 0.00 0.00 176.35 175.96 2e7k s HIS 49 N -2.34 -0.26 -0.24 0.29 -3.43 -1.26 -4.97 115.29 103.08 2e7k s HIS 49 Ca 0.51 0.06 -0.34 0.00 -0.80 0.00 0.00 55.06 54.49 2e7k s HIS 49 Cb -0.08 0.58 -0.11 0.00 -1.43 0.00 0.00 32.58 31.54 2e7k s HIS 49 CO 0.31 -0.66 2.05 0.28 -2.00 0.00 0.00 174.74 174.73 2e7k n VAL 50 N -0.34 0.36 0.00 -5.38 0.31 -1.26 -2.29 118.33 109.72 2e7k n VAL 50 Ca -0.08 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2e7k n VAL 50 Cb 0.61 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 5.50 1.87 3.34 2.92 0.00 -1.07 -4.81 105.19 112.93 2e7k n GLY 51 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 5.78 -0.15 1.61 1.01 -0.97 -4.70 116.67 117.25 2e7k s ASP 52 Ca 0.00 -1.23 -0.27 0.00 0.71 0.00 0.00 52.55 51.77 2e7k s ASP 52 Cb 0.00 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 2e7k s ASP 52 CO 0.00 -0.48 0.90 -0.63 0.21 0.00 0.00 175.17 175.17 2e7k s ILE 53 N 1.52 4.83 -0.06 0.77 1.09 -1.15 -3.26 121.20 124.96 2e7k s ILE 53 Ca 0.03 1.79 -0.11 0.00 -1.10 0.00 0.00 60.65 61.26 2e7k s ILE 53 Cb -0.21 -4.21 -0.05 0.00 -1.06 0.00 0.00 42.46 36.93 2e7k s ILE 53 CO 0.05 0.01 0.29 -0.63 -0.10 0.00 0.00 174.94 174.56 2e7k s ILE 54 N 2.18 5.24 -0.05 2.92 1.01 -0.71 -0.88 121.20 130.91 2e7k s ILE 54 Ca 0.42 0.57 -0.05 0.00 0.00 0.00 0.00 60.65 61.58 2e7k s ILE 54 Cb -0.17 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2e7k s ILE 54 CO 0.14 0.59 -0.12 0.29 0.00 0.00 0.00 174.94 175.84 2e7k n LYS 55 N 1.96 0.18 -3.82 2.79 4.76 -0.86 -4.28 118.16 118.90 2e7k n LYS 55 Ca -0.16 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.23 2e7k n LYS 55 Cb 0.53 -0.82 -0.13 0.00 -1.84 0.00 0.00 35.03 32.78 2e7k n LYS 55 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2e7k s GLU 56 N -2.22 0.18 -0.37 1.97 2.02 -1.26 -4.40 118.70 114.62 2e7k s GLU 56 Ca -0.11 0.20 -0.05 0.00 0.02 0.00 0.00 54.97 55.02 2e7k s GLU 56 Cb 0.03 0.09 0.07 0.00 0.10 0.00 0.00 34.13 34.42 2e7k s GLU 56 CO 0.15 -0.02 0.16 0.08 0.02 0.00 0.00 175.26 175.65 2e7k s VAL 57 N 0.06 3.65 -1.18 2.63 1.01 -0.59 -2.10 120.40 123.88 2e7k s VAL 57 Ca -0.00 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2e7k s VAL 57 Cb -0.01 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2e7k s VAL 57 CO 0.00 -0.39 0.00 -0.46 0.00 0.00 0.00 175.10 174.25 2e7k n ASN 58 N 4.75 -3.57 -0.39 3.32 0.23 -0.33 -1.60 115.26 117.67 2e7k n ASN 58 Ca -0.09 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 2e7k n ASN 58 Cb 0.43 -3.19 0.00 0.00 -2.08 0.00 0.00 39.78 34.94 2e7k n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2e7k n GLY 59 N -0.52 0.67 3.26 4.83 0.00 -1.26 -4.97 105.19 107.19 2e7k n GLY 59 Ca -0.13 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.82 0.42 -0.41 1.61 0.74 -0.63 -5.12 119.66 114.46 2e7k s GLN 60 Ca 0.00 0.56 -0.28 0.00 0.05 0.00 0.00 55.36 55.69 2e7k s GLN 60 Cb 0.00 0.16 -0.01 0.00 1.10 0.00 0.00 33.01 34.26 2e7k s GLN 60 CO 0.00 -0.07 1.73 -1.25 -0.55 0.00 0.00 175.29 175.15 2e7k s PRO 61 N 0.43 3.23 0.58 1.67 0.04 -1.26 -1.54 135.00 138.15 2e7k s PRO 61 Ca -0.02 1.16 0.28 0.00 0.04 0.00 0.00 61.00 62.46 2e7k s PRO 61 Cb -0.04 -4.20 1.50 0.00 0.04 0.00 0.00 34.50 31.80 2e7k s PRO 61 CO -0.02 -1.98 1.95 -0.39 0.04 0.00 0.00 177.00 176.60 2e7k h VAL 62 N 6.75 0.45 -1.52 -0.36 -1.51 -1.95 -3.47 116.25 114.64 2e7k h VAL 62 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2e7k h VAL 62 Cb 1.15 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2e7k h VAL 62 CO 1.08 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.03 2e7k n GLY 63 N -1.52 -2.79 0.33 5.19 0.00 -1.26 -3.86 105.19 101.28 2e7k n GLY 63 Ca 0.08 -0.68 0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.18 -4.64 1.61 3.41 -1.26 -4.15 113.62 108.76 2e7k n SER 64 Ca 0.00 1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 59.25 2e7k n SER 64 Cb 0.00 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 2e7k n SER 64 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2e7k s ASP 65 N -4.41 6.36 0.17 4.04 1.01 -1.26 -4.70 116.67 117.87 2e7k s ASP 65 Ca -0.06 2.20 -0.08 0.00 0.71 0.00 0.00 52.55 55.32 2e7k s ASP 65 Cb 0.23 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.67 2e7k s ASP 65 CO 0.60 -1.19 1.51 1.55 0.21 0.00 0.00 175.17 177.85 2e7k h PRO 66 N 10.93 0.83 0.00 8.23 0.13 -1.88 -2.32 132.00 147.92 2e7k h PRO 66 Ca -0.42 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2e7k h PRO 66 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2e7k h PRO 66 CO 0.96 1.07 0.00 0.00 -0.23 0.00 0.00 178.00 179.81 2e7k h ARG 67 N 0.68 0.00 0.00 0.86 3.08 -1.90 -2.60 114.38 114.49 2e7k h ARG 67 Ca 0.05 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.83 2e7k h ARG 67 Cb 0.97 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 2e7k h ARG 67 CO 0.09 0.00 -1.67 0.00 -1.07 0.00 0.00 179.97 177.32 2e7k n ALA 68 N -2.03 1.58 0.23 0.04 0.00 -1.09 -4.18 120.51 115.05 2e7k n ALA 68 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.57 2e7k n ALA 68 Cb 0.25 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 2e7k n ALA 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2e7k h LEU 69 N 0.00 -0.51 -1.33 0.00 5.85 -1.04 -2.37 115.31 115.90 2e7k h LEU 69 Ca -0.27 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2e7k h LEU 69 Cb 1.94 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 2e7k h LEU 69 CO 0.07 -0.15 0.57 1.56 -0.34 0.00 0.00 178.44 180.16 2e7k h GLN 70 N -0.94 0.00 0.05 1.25 4.20 -1.71 0.83 115.11 118.80 2e7k h GLN 70 Ca -0.06 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.35 2e7k h GLN 70 Cb 0.58 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 2e7k h GLN 70 CO 0.10 0.00 -1.65 0.93 -0.67 0.00 0.00 178.83 177.54 2e7k h GLU 71 N 0.00 0.11 -0.73 1.46 5.08 -1.66 -3.25 114.58 115.60 2e7k h GLU 71 Ca 0.02 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2e7k h GLU 71 Cb 1.17 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2e7k h GLU 71 CO -0.00 0.84 0.48 1.37 -1.00 0.00 0.00 179.01 180.70 2e7k h LEU 72 N 0.03 0.81 -0.12 1.33 8.10 0.12 -2.86 115.31 122.72 2e7k h LEU 72 Ca -0.27 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.67 2e7k h LEU 72 Cb 1.99 -0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 42.02 2e7k h LEU 72 CO 0.11 0.58 -0.05 -0.07 -4.11 0.00 0.00 178.44 174.90 2e7k h LEU 73 N 0.96 0.26 -0.85 0.17 3.38 -1.65 -3.26 115.31 114.31 2e7k h LEU 73 Ca 0.28 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2e7k h LEU 73 Cb -0.06 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.50 2e7k h LEU 73 CO -0.08 0.60 -0.45 -1.14 0.09 0.00 0.00 178.44 177.46 2e7k n ARG 74 N -4.70 -0.32 -0.85 1.13 0.63 -1.08 0.16 116.66 111.62 2e7k n ARG 74 Ca -0.06 1.29 -0.13 0.00 -0.92 0.00 0.00 57.85 58.03 2e7k n ARG 74 Cb 0.27 -1.90 0.01 0.00 0.45 0.00 0.00 32.46 31.29 2e7k n ARG 74 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2e7k n ASN 75 N -5.12 6.15 -3.77 6.15 3.02 -1.19 -3.02 115.26 117.47 2e7k n ASN 75 Ca 0.04 -2.89 -0.28 0.00 -0.03 0.00 0.00 54.58 51.42 2e7k n ASN 75 Cb 0.26 -1.11 -0.12 0.00 -0.61 0.00 0.00 39.78 38.20 2e7k n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2e7k s ALA 76 N -1.24 2.98 0.70 5.41 0.00 0.43 -5.03 121.76 125.01 2e7k s ALA 76 Ca 0.27 -3.29 -0.09 0.00 0.00 0.00 0.00 51.96 48.86 2e7k s ALA 76 Cb 0.20 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.36 2e7k s ALA 76 CO -0.02 -2.06 1.04 0.45 0.00 0.00 0.00 175.76 175.17 2e7k s SER 77 N -0.72 5.06 0.02 0.00 0.15 -1.26 -4.79 113.70 112.16 2e7k s SER 77 Ca 0.25 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2e7k s SER 77 Cb -0.08 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2e7k s SER 77 CO -0.13 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.43 2e7k n GLY 78 N -2.95 -2.15 3.55 9.45 0.00 -1.25 -4.67 105.19 107.16 2e7k n GLY 78 Ca 0.07 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.24 5.09 -0.03 1.61 0.15 -1.26 -4.01 113.70 112.01 2e7k s SER 79 Ca 0.00 0.54 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 2e7k s SER 79 Cb 0.00 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2e7k s SER 79 CO 0.00 -2.48 0.41 -0.69 1.20 0.00 0.00 173.24 171.68 2e7k s VAL 80 N 9.76 5.07 -0.06 4.45 1.01 0.22 -4.85 120.40 136.01 2e7k s VAL 80 Ca 0.75 0.84 -0.02 0.00 0.00 0.00 0.00 61.98 63.54 2e7k s VAL 80 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2e7k s VAL 80 CO 0.22 0.52 0.07 -0.63 0.00 0.00 0.00 175.10 175.28 2e7k s ILE 81 N -0.69 4.75 -0.14 2.22 1.09 -1.26 -0.50 121.20 126.68 2e7k s ILE 81 Ca 0.24 -0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.55 2e7k s ILE 81 Cb -0.16 -3.09 0.04 0.00 -1.06 0.00 0.00 42.46 38.19 2e7k s ILE 81 CO 0.12 0.50 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.69 2e7k s LEU 82 N -1.29 1.10 -0.45 2.97 1.43 -0.33 -1.18 118.68 120.93 2e7k s LEU 82 Ca 0.18 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 2e7k s LEU 82 Cb -0.12 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 45.48 2e7k s LEU 82 CO 0.08 -0.22 0.62 -0.75 0.23 0.00 0.00 176.35 176.31 2e7k s LYS 83 N 1.82 3.23 0.30 1.70 2.20 -0.89 -1.43 119.74 126.67 2e7k s LYS 83 Ca 0.02 -0.49 0.07 0.00 -0.36 0.00 0.00 55.97 55.21 2e7k s LYS 83 Cb -0.15 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2e7k s LYS 83 CO -0.07 -1.03 0.28 0.42 -0.36 0.00 0.00 175.35 174.60 2e7k s ILE 84 N 2.73 4.04 0.02 5.43 -1.09 -0.96 -2.02 121.20 129.35 2e7k s ILE 84 Ca 0.20 -1.31 -0.13 0.00 -2.23 0.00 0.00 60.65 57.18 2e7k s ILE 84 Cb -0.15 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 2e7k s ILE 84 CO 0.17 -0.25 0.28 -0.76 -1.23 0.00 0.00 174.94 173.16 2e7k s LEU 85 N -3.96 0.99 1.19 2.97 1.02 -0.06 -1.67 118.68 119.16 2e7k s LEU 85 Ca 0.38 -0.12 -0.17 0.00 0.02 0.00 0.00 54.13 54.24 2e7k s LEU 85 Cb -0.07 1.22 0.28 0.00 0.02 0.00 0.00 46.19 47.64 2e7k s LEU 85 CO 0.27 -0.53 1.06 -0.94 0.02 0.00 0.00 176.35 176.23 2e7k s SER 86 N -1.77 0.97 0.00 2.29 1.04 -1.26 -2.92 113.70 112.05 2e7k s SER 86 Ca -0.09 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2e7k s SER 86 Cb -0.03 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.72 2e7k s SER 86 CO -0.00 -4.12 0.00 0.61 0.98 0.00 0.00 173.24 170.70 2e7k n GLY 87 N -0.34 -0.79 3.60 7.32 0.00 -1.26 -4.81 105.19 108.90 2e7k n GLY 87 Ca 0.09 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.74 3.35 0.57 1.61 0.04 -1.26 -4.99 135.00 132.59 2e7k s PRO 88 Ca 0.00 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.39 2e7k s PRO 88 Cb 0.00 -4.17 0.08 0.00 0.04 0.00 0.00 34.50 30.45 2e7k s PRO 88 CO 0.00 -1.84 0.69 -1.54 0.04 0.00 0.00 177.00 174.35 2e7k s SER 89 N 5.68 4.93 0.27 6.66 1.04 -1.26 -4.97 113.70 126.06 2e7k s SER 89 Ca 0.75 -0.99 -0.20 0.00 0.48 0.00 0.00 55.95 55.99 2e7k s SER 89 Cb -0.20 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.33 2e7k s SER 89 CO 0.33 -1.31 0.68 -0.44 0.98 0.00 0.00 173.24 173.48 2e7k s SER 90 N -4.57 -0.23 0.00 7.02 0.01 -1.26 -5.12 113.70 109.54 2e7k s SER 90 Ca 0.54 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2e7k s SER 90 Cb -0.05 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2e7k s SER 90 CO 0.34 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.28