#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 -0.72 -3.98 1.61 7.64 -1.26 -4.45 113.62 112.47 2e7k n SER 2 Ca 0.00 1.31 -0.30 0.00 1.01 0.00 0.00 58.87 60.89 2e7k n SER 2 Cb 0.00 -0.21 0.21 0.00 -1.01 0.00 0.00 64.21 63.20 2e7k n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e7k s SER 3 N -5.08 2.00 0.39 6.43 0.01 -1.26 -4.82 113.70 111.38 2e7k s SER 3 Ca -0.08 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2e7k s SER 3 Cb 0.07 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2e7k s SER 3 CO 0.42 -3.44 0.00 0.61 0.41 0.00 0.00 173.24 171.24 2e7k n GLY 4 N -2.33 0.74 3.61 3.44 0.00 -1.26 -4.97 105.19 104.42 2e7k n GLY 4 Ca 0.14 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 2e7k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e7k s SER 5 N -4.00 -0.24 0.32 1.61 0.15 -1.26 -5.12 113.70 105.16 2e7k s SER 5 Ca 0.00 0.30 0.08 0.00 0.70 0.00 0.00 55.95 57.03 2e7k s SER 5 Cb 0.00 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 2e7k s SER 5 CO 0.00 -0.20 0.12 -0.44 1.20 0.00 0.00 173.24 173.92 2e7k s SER 6 N -0.91 4.72 0.00 5.45 0.01 -1.26 -5.04 113.70 116.67 2e7k s SER 6 Ca 0.03 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2e7k s SER 6 Cb -0.01 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2e7k s SER 6 CO -0.03 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2e7k n GLY 7 N -1.11 4.90 2.38 3.44 0.00 -1.26 -4.94 105.19 108.60 2e7k n GLY 7 Ca -0.04 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 2e7k n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2e7k n ARG 8 N 0.00 2.87 -1.52 1.61 0.63 0.03 -4.79 116.66 115.49 2e7k n ARG 8 Ca 0.00 -2.31 -0.30 0.00 -0.92 0.00 0.00 57.85 54.32 2e7k n ARG 8 Cb 0.00 -2.26 -0.14 0.00 0.45 0.00 0.00 32.46 30.51 2e7k n ARG 8 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 2e7k n MET 9 N 1.54 0.26 -3.83 -0.14 1.56 -1.24 -4.15 117.12 111.12 2e7k n MET 9 Ca 0.53 -0.13 -0.35 0.00 -0.27 0.00 0.00 57.70 57.47 2e7k n MET 9 Cb 0.54 -2.01 -0.08 0.00 2.15 0.00 0.00 33.22 33.82 2e7k n MET 9 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2e7k s VAL 10 N 7.63 5.29 -0.33 1.12 1.01 -0.91 -4.88 120.40 129.33 2e7k s VAL 10 Ca 1.22 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.23 2e7k s VAL 10 Cb -0.77 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 2e7k s VAL 10 CO 0.41 0.49 0.18 -0.83 0.00 0.00 0.00 175.10 175.36 2e7k s GLY 11 N 0.01 1.90 -0.08 4.51 0.00 -1.26 -2.19 107.32 110.21 2e7k s GLY 11 Ca 0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.32 2e7k s GLY 11 CO -0.00 0.75 0.05 -0.42 0.00 0.00 0.00 173.10 173.47 2e7k s ILE 12 N 1.62 4.68 -0.65 0.90 1.09 0.11 -4.92 121.20 124.03 2e7k s ILE 12 Ca 0.04 -0.16 -0.06 0.00 -1.10 0.00 0.00 60.65 59.37 2e7k s ILE 12 Cb -0.18 -3.01 0.17 0.00 -1.06 0.00 0.00 42.46 38.38 2e7k s ILE 12 CO 0.07 0.57 0.50 -0.60 -0.10 0.00 0.00 174.94 175.38 2e7k s ARG 13 N -1.06 2.78 0.36 2.79 3.52 -1.26 -0.65 118.95 125.44 2e7k s ARG 13 Ca 0.15 -2.42 0.02 0.00 -0.13 0.00 0.00 55.73 53.35 2e7k s ARG 13 Cb -0.12 -3.91 0.02 0.00 -1.56 0.00 0.00 34.95 29.39 2e7k s ARG 13 CO 0.05 -1.20 0.18 0.36 -0.81 0.00 0.00 175.30 173.87 2e7k n LYS 14 N 3.77 1.02 -5.13 5.12 2.85 -1.25 -5.04 118.16 119.50 2e7k n LYS 14 Ca 0.07 -2.41 -0.29 0.00 -1.05 0.00 0.00 58.31 54.64 2e7k n LYS 14 Cb 0.40 0.41 -0.16 0.00 -0.65 0.00 0.00 35.03 35.03 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 -2.00 1.79 -0.46 0.58 2.01 -1.26 -3.70 115.64 112.60 2e7k s THR 15 Ca 0.13 -0.97 -0.41 0.00 0.31 0.00 0.00 61.69 60.76 2e7k s THR 15 Cb -0.01 -1.48 -0.18 0.00 0.01 0.00 0.00 72.50 70.84 2e7k s THR 15 CO 0.08 0.51 1.87 0.00 -0.69 0.00 0.00 174.62 176.39 2e7k n ALA 16 N 2.52 -0.10 0.00 7.40 0.00 -1.26 -2.17 120.51 126.91 2e7k n ALA 16 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2e7k n ALA 16 Cb 0.52 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 6.24 2.26 3.39 0.00 0.00 -1.00 -5.02 105.19 111.06 2e7k n GLY 17 Ca 0.46 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 0.32 -4.42 1.61 -0.58 -0.92 -4.64 120.64 112.02 2e7k n GLU 18 Ca 0.00 0.13 -0.20 0.00 -0.42 0.00 0.00 57.16 56.67 2e7k n GLU 18 Cb 0.00 -1.53 -0.11 0.00 -0.57 0.00 0.00 31.44 29.23 2e7k n GLU 18 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2e7k s HIS 19 N -1.84 1.86 -0.01 -0.32 -3.43 -1.26 -4.33 115.29 105.96 2e7k s HIS 19 Ca 0.64 -1.00 -0.23 0.00 -0.80 0.00 0.00 55.06 53.67 2e7k s HIS 19 Cb -0.43 -1.19 -0.13 0.00 -1.43 0.00 0.00 32.58 29.41 2e7k s HIS 19 CO 0.59 -0.07 0.97 -0.07 -2.00 0.00 0.00 174.74 174.17 2e7k h LEU 20 N 2.19 -0.60 -0.14 5.38 -0.00 -1.90 -3.44 115.31 116.79 2e7k h LEU 20 Ca -0.40 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2e7k h LEU 20 Cb 1.24 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 2e7k h LEU 20 CO 0.67 -0.20 0.00 0.61 -0.00 0.00 0.00 178.44 179.53 2e7k n GLY 21 N -0.22 0.59 3.19 0.83 0.00 -1.26 -3.84 105.19 104.48 2e7k n GLY 21 Ca -0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.34 0.88 -0.19 1.61 -7.23 -1.26 -1.81 120.40 111.07 2e7k s VAL 22 Ca 0.00 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2e7k s VAL 22 Cb 0.00 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.30 2e7k s VAL 22 CO 0.00 -0.77 -0.16 0.42 -0.31 0.00 0.00 175.10 174.28 2e7k s THR 23 N -3.27 2.43 0.26 5.32 -4.23 0.17 -4.88 115.64 111.45 2e7k s THR 23 Ca 0.12 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 2e7k s THR 23 Cb 0.03 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2e7k s THR 23 CO -0.02 0.51 0.38 -0.36 -0.54 0.00 0.00 174.62 174.59 2e7k s PHE 24 N 1.26 3.43 0.11 3.99 0.40 -1.26 0.11 117.98 126.02 2e7k s PHE 24 Ca 0.04 -0.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.42 2e7k s PHE 24 Cb -0.14 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 2e7k s PHE 24 CO -0.09 0.38 -0.15 -0.98 0.70 0.00 0.00 175.22 175.08 2e7k s ARG 25 N -4.02 0.98 -0.43 0.44 1.70 -0.41 -4.68 118.95 112.53 2e7k s ARG 25 Ca 0.35 -1.15 -0.16 0.00 -0.47 0.00 0.00 55.73 54.31 2e7k s ARG 25 Cb -0.09 -0.95 0.03 0.00 -0.57 0.00 0.00 34.95 33.37 2e7k s ARG 25 CO 0.30 0.20 0.36 0.08 -1.08 0.00 0.00 175.30 175.15 2e7k s VAL 26 N -1.76 5.21 -0.20 4.99 1.01 -1.26 -2.65 120.40 125.73 2e7k s VAL 26 Ca 0.06 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 2e7k s VAL 26 Cb -0.07 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 32.14 2e7k s VAL 26 CO 0.03 -0.40 0.18 -0.33 0.00 0.00 0.00 175.10 174.58 2e7k h GLU 27 N 8.68 0.00 0.00 2.72 5.08 -1.97 -3.46 114.58 125.63 2e7k h GLU 27 Ca -0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 2e7k h GLU 27 Cb 1.12 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.25 2e7k h GLU 27 CO 0.78 0.89 -0.04 0.41 -1.00 0.00 0.00 179.01 180.04 2e7k n GLY 28 N 1.46 0.05 0.00 -3.84 0.00 -1.26 -4.98 105.19 96.62 2e7k n GLY 28 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.46 2.17 3.98 -0.02 0.00 -1.26 -5.07 105.19 104.52 2e7k n GLY 29 Ca -0.16 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 3.25 -0.10 1.61 -1.05 -1.26 -4.37 118.70 116.78 2e7k s GLU 30 Ca 0.00 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 2e7k s GLU 30 Cb 0.00 -2.81 -0.02 0.00 -0.44 0.00 0.00 34.13 30.86 2e7k s GLU 30 CO 0.00 0.16 -0.10 -0.51 0.95 0.00 0.00 175.26 175.76 2e7k s LEU 31 N -4.16 2.92 -0.03 1.83 1.43 -1.26 -3.51 118.68 115.90 2e7k s LEU 31 Ca 0.41 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2e7k s LEU 31 Cb -0.09 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.48 2e7k s LEU 31 CO 0.31 0.26 -0.11 -0.69 0.23 0.00 0.00 176.35 176.36 2e7k s VAL 32 N -0.19 0.93 -0.41 -1.59 1.01 -1.09 -2.96 120.40 116.10 2e7k s VAL 32 Ca 0.01 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 2e7k s VAL 32 Cb -0.13 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 2e7k s VAL 32 CO 0.03 0.29 2.35 -0.38 0.00 0.00 0.00 175.10 177.38 2e7k n ILE 33 N 3.33 0.09 -0.04 2.22 5.41 -1.16 -1.29 119.36 127.92 2e7k n ILE 33 Ca -0.19 -0.59 -0.13 0.00 1.00 0.00 0.00 62.75 62.83 2e7k n ILE 33 Cb 0.54 -2.50 -0.11 0.00 -0.71 0.00 0.00 39.64 36.85 2e7k n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2e7k h ALA 34 N 16.99 -0.00 -2.53 -1.39 0.00 0.52 -2.87 119.26 129.96 2e7k h ALA 34 Ca -0.29 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2e7k h ALA 34 Cb 1.27 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 2e7k h ALA 34 CO 1.09 -0.13 -0.43 0.50 0.00 0.00 0.00 179.25 180.28 2e7k s ARG 35 N -3.24 0.72 -0.14 0.00 3.52 -0.71 -4.87 118.95 114.23 2e7k s ARG 35 Ca -0.17 -0.80 -0.00 0.00 -0.13 0.00 0.00 55.73 54.62 2e7k s ARG 35 Cb -0.01 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.71 2e7k s ARG 35 CO 0.68 -0.21 -0.07 0.42 -0.81 0.00 0.00 175.30 175.31 2e7k s ILE 36 N -3.08 1.09 0.33 4.11 1.01 -1.26 -0.65 121.20 122.74 2e7k s ILE 36 Ca -0.01 -0.48 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 2e7k s ILE 36 Cb 0.01 -1.19 -0.13 0.00 0.01 0.00 0.00 42.46 41.17 2e7k s ILE 36 CO -0.07 0.24 1.19 0.18 0.00 0.00 0.00 174.94 176.49 2e7k n LEU 37 N 4.90 3.00 -4.70 2.97 7.99 -0.75 -4.91 117.00 125.51 2e7k n LEU 37 Ca -0.12 1.19 -0.42 0.00 -0.01 0.00 0.00 56.01 56.64 2e7k n LEU 37 Cb 0.49 -1.42 -0.03 0.00 -0.11 0.00 0.00 43.42 42.35 2e7k n LEU 37 CO 0.17 -0.81 0.85 -1.38 -1.51 0.00 0.00 177.39 174.71 2e7k s HIS 38 N -1.10 3.40 0.00 -1.77 -3.43 -1.26 -4.35 115.29 106.79 2e7k s HIS 38 Ca 0.57 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 56.24 2e7k s HIS 38 Cb -0.60 -3.31 0.00 0.00 -1.43 0.00 0.00 32.58 27.24 2e7k s HIS 38 CO 0.61 -0.79 0.00 0.41 -2.00 0.00 0.00 174.74 172.97 2e7k n GLY 39 N 3.18 -0.15 0.00 -1.38 0.00 -1.26 -5.11 105.19 100.48 2e7k n GLY 39 Ca 0.09 -0.31 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 -0.53 3.62 0.08 -0.02 0.00 -1.26 -5.02 105.19 102.07 2e7k n GLY 40 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -0.73 1.61 1.85 -1.86 -3.28 114.93 112.52 2e7k h MET 41 Ca 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.03 2e7k h MET 41 Cb 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 2e7k h MET 41 CO 0.00 0.61 0.23 0.28 -0.40 0.00 0.00 176.91 177.63 2e7k h VAL 42 N -1.00 1.26 -0.52 -5.77 2.07 -1.88 -2.70 116.25 107.71 2e7k h VAL 42 Ca -0.17 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.50 2e7k h VAL 42 Cb 0.91 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2e7k h VAL 42 CO -0.10 0.36 0.26 0.00 0.02 0.00 0.00 177.57 178.10 2e7k h ALA 43 N 1.12 0.67 -0.19 1.67 0.00 -1.81 -0.27 119.26 120.44 2e7k h ALA 43 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2e7k h ALA 43 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2e7k h ALA 43 CO -0.01 -0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.19 2e7k n GLN 44 N -4.89 2.22 -3.84 0.00 1.13 -1.11 -4.74 117.38 106.15 2e7k n GLN 44 Ca 0.05 -1.00 -0.21 0.00 -1.94 0.00 0.00 57.00 53.90 2e7k n GLN 44 Cb 0.14 -1.72 -0.17 0.00 0.11 0.00 0.00 30.24 28.61 2e7k n GLN 44 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2e7k s GLN 45 N -1.57 0.49 -0.34 -1.09 -0.21 -0.11 -5.04 119.66 111.78 2e7k s GLN 45 Ca 0.17 0.11 -0.04 0.00 0.02 0.00 0.00 55.36 55.63 2e7k s GLN 45 Cb 0.13 -0.80 0.01 0.00 1.00 0.00 0.00 33.01 33.35 2e7k s GLN 45 CO 0.05 -0.25 2.84 0.41 -2.12 0.00 0.00 175.29 176.23 2e7k n GLY 46 N 4.83 4.03 0.85 3.09 0.00 -1.26 -4.12 105.19 112.61 2e7k n GLY 46 Ca -0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 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 1.14 0.37 -4.83 0.99 4.77 -1.26 -5.04 117.00 113.14 2e7k n LEU 47 Ca 0.45 0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 56.11 2e7k n LEU 47 Cb 0.62 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2e7k n LEU 47 CO 0.29 0.09 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.47 2e7k s LEU 48 N -6.13 4.14 0.31 2.23 1.43 -1.26 -5.10 118.68 114.30 2e7k s LEU 48 Ca -0.05 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 2e7k s LEU 48 Cb 0.02 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2e7k s LEU 48 CO 0.06 0.35 0.61 -1.00 0.23 0.00 0.00 176.35 176.60 2e7k s HIS 49 N -1.08 0.34 -0.47 0.29 3.76 -1.26 -4.90 115.29 111.97 2e7k s HIS 49 Ca 0.18 -0.78 -0.27 0.00 -0.15 0.00 0.00 55.06 54.04 2e7k s HIS 49 Cb -0.12 0.40 -0.08 0.00 1.11 0.00 0.00 32.58 33.89 2e7k s HIS 49 CO 0.08 -1.23 2.39 0.28 -0.85 0.00 0.00 174.74 175.42 2e7k n VAL 50 N -0.48 0.02 0.00 -0.90 0.31 -1.26 -2.87 118.33 113.15 2e7k n VAL 50 Ca -0.03 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2e7k n VAL 50 Cb 0.61 -2.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 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 6.04 0.94 3.20 2.92 0.00 -1.08 -4.99 105.19 112.23 2e7k n GLY 51 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.88 3.45 -0.15 1.61 1.11 -1.14 -4.75 116.67 114.92 2e7k s ASP 52 Ca 0.00 -0.55 -0.19 0.00 0.18 0.00 0.00 52.55 52.00 2e7k s ASP 52 Cb 0.00 -1.53 -0.04 0.00 1.07 0.00 0.00 42.92 42.42 2e7k s ASP 52 CO 0.00 0.04 0.51 -0.63 1.18 0.00 0.00 175.17 176.27 2e7k s ILE 53 N 1.06 5.14 -0.33 0.77 1.01 -1.17 -2.97 121.20 124.70 2e7k s ILE 53 Ca -0.01 0.99 -0.16 0.00 0.00 0.00 0.00 60.65 61.47 2e7k s ILE 53 Cb -0.14 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 2e7k s ILE 53 CO -0.05 0.25 0.38 -0.63 0.00 0.00 0.00 174.94 174.89 2e7k s ILE 54 N 1.10 5.15 -0.01 2.92 1.01 -1.16 -0.93 121.20 129.28 2e7k s ILE 54 Ca 0.26 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 2e7k s ILE 54 Cb -0.15 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 2e7k s ILE 54 CO 0.10 -0.07 0.12 0.50 0.00 0.00 0.00 174.94 175.59 2e7k h LYS 55 N 8.42 -0.02 -4.55 2.79 1.63 -1.08 -3.43 116.57 120.34 2e7k h LYS 55 Ca -0.30 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.30 2e7k h LYS 55 Cb 1.14 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.62 2e7k h LYS 55 CO 0.70 -0.01 -0.70 -2.00 -3.45 0.00 0.00 179.45 173.99 2e7k s GLU 56 N -1.32 0.76 -0.12 1.90 2.12 -1.25 -4.35 118.70 116.43 2e7k s GLU 56 Ca -0.00 -1.26 -0.02 0.00 0.36 0.00 0.00 54.97 54.05 2e7k s GLU 56 Cb 0.00 -0.12 0.04 0.00 0.26 0.00 0.00 34.13 34.31 2e7k s GLU 56 CO 0.01 -0.03 -0.00 0.54 -0.54 0.00 0.00 175.26 175.23 2e7k s VAL 57 N -3.49 0.55 -1.41 3.70 0.11 0.10 -2.29 120.40 117.66 2e7k s VAL 57 Ca 0.09 -0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 58.85 2e7k s VAL 57 Cb 0.05 -0.81 0.06 0.00 -1.53 0.00 0.00 36.38 34.15 2e7k s VAL 57 CO -0.05 0.11 0.63 0.59 -3.33 0.00 0.00 175.10 173.05 2e7k n ASN 58 N 5.07 -4.63 -1.53 3.54 3.02 -1.15 -0.94 115.26 118.64 2e7k n ASN 58 Ca -0.09 -0.44 -0.10 0.00 -0.03 0.00 0.00 54.58 53.92 2e7k n ASN 58 Cb 0.49 -3.77 0.02 0.00 -0.61 0.00 0.00 39.78 35.91 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 -1.38 0.16 3.10 7.41 0.00 -1.26 -5.04 105.19 108.19 2e7k n GLY 59 Ca -0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.11 0.36 -0.01 1.61 -1.52 -0.12 -5.13 119.66 109.74 2e7k s GLN 60 Ca 0.15 0.00 -0.30 0.00 -1.95 0.00 0.00 55.36 53.26 2e7k s GLN 60 Cb -0.07 0.16 -0.06 0.00 -0.22 0.00 0.00 33.01 32.83 2e7k s GLN 60 CO 0.19 -0.07 1.45 -1.25 -0.25 0.00 0.00 175.29 175.36 2e7k s PRO 61 N -0.54 4.26 0.35 2.91 0.04 -1.26 -0.72 135.00 140.03 2e7k s PRO 61 Ca -0.06 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.06 2e7k s PRO 61 Cb -0.04 -3.64 0.66 0.00 0.04 0.00 0.00 34.50 31.52 2e7k s PRO 61 CO 0.01 -0.64 1.88 -0.39 0.04 0.00 0.00 177.00 177.90 2e7k h VAL 62 N 5.02 1.20 0.00 -0.36 -1.51 -1.89 -3.48 116.25 115.22 2e7k h VAL 62 Ca -0.38 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 2e7k h VAL 62 Cb 1.18 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 2e7k h VAL 62 CO 0.92 0.27 0.00 0.61 -1.23 0.00 0.00 177.57 178.14 2e7k n GLY 63 N -0.83 -0.57 1.54 5.19 0.00 -1.26 -4.54 105.19 104.72 2e7k n GLY 63 Ca 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.30 3.92 -3.85 1.61 3.41 -1.26 -4.73 113.62 111.42 2e7k n SER 64 Ca 0.00 -2.68 -0.25 0.00 -0.26 0.00 0.00 58.87 55.68 2e7k n SER 64 Cb 0.00 -0.72 -0.17 0.00 -0.26 0.00 0.00 64.21 63.05 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 0.23 1.93 -0.02 4.04 1.01 -1.26 -4.89 116.67 117.70 2e7k s ASP 65 Ca 0.22 -0.21 -0.25 0.00 0.71 0.00 0.00 52.55 53.02 2e7k s ASP 65 Cb 0.18 -0.67 -0.20 0.00 1.01 0.00 0.00 42.92 43.24 2e7k s ASP 65 CO 0.03 -0.15 1.23 1.55 0.21 0.00 0.00 175.17 178.04 2e7k h PRO 66 N 8.24 -0.05 -0.82 8.23 0.13 -1.86 -2.49 132.00 143.38 2e7k h PRO 66 Ca -0.26 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.95 2e7k h PRO 66 Cb 1.13 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 2e7k h PRO 66 CO 0.34 0.42 0.53 0.00 -0.23 0.00 0.00 178.00 179.07 2e7k h ARG 67 N -0.54 0.83 0.00 0.86 3.08 -1.96 0.76 114.38 117.41 2e7k h ARG 67 Ca -0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2e7k h ARG 67 Cb 0.49 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2e7k h ARG 67 CO 0.01 0.55 -0.36 0.00 -1.07 0.00 0.00 179.97 179.10 2e7k h ALA 68 N 1.57 1.01 0.00 0.04 0.00 -1.93 -3.10 119.26 116.84 2e7k h ALA 68 Ca 0.36 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2e7k h ALA 68 Cb 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2e7k h ALA 68 CO -0.13 0.45 -0.00 1.25 0.00 0.00 0.00 179.25 180.81 2e7k h LEU 69 N 0.00 0.00 -1.69 0.00 5.85 -0.52 -2.97 115.31 115.98 2e7k h LEU 69 Ca -0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.98 2e7k h LEU 69 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2e7k h LEU 69 CO 0.05 0.87 0.28 1.56 -0.34 0.00 0.00 178.44 180.86 2e7k h GLN 70 N -1.00 0.00 0.03 1.25 4.20 -1.00 0.30 115.11 118.88 2e7k h GLN 70 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 2e7k h GLN 70 Cb 0.74 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 2e7k h GLN 70 CO -0.00 0.00 -1.77 -1.91 -0.67 0.00 0.00 178.83 174.48 2e7k n GLU 71 N -2.61 0.66 -0.35 1.46 2.13 -1.17 -3.74 120.64 117.02 2e7k n GLU 71 Ca -0.02 0.29 -0.03 0.00 0.66 0.00 0.00 57.16 58.07 2e7k n GLU 71 Cb 0.32 -1.78 0.10 0.00 0.27 0.00 0.00 31.44 30.35 2e7k n GLU 71 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2e7k h LEU 72 N 0.02 1.12 -0.33 4.31 8.10 -0.24 -2.71 115.31 125.57 2e7k h LEU 72 Ca -0.31 -0.06 -0.08 0.00 0.11 0.00 0.00 57.88 57.54 2e7k h LEU 72 Cb 2.02 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 41.95 2e7k h LEU 72 CO 0.08 0.85 -0.09 -0.07 -4.11 0.00 0.00 178.44 175.10 2e7k h LEU 73 N 1.29 0.66 -0.92 0.17 3.38 -1.67 -3.09 115.31 115.13 2e7k h LEU 73 Ca 0.34 -0.37 0.26 0.00 0.09 0.00 0.00 57.88 58.20 2e7k h LEU 73 Cb -0.08 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.34 2e7k h LEU 73 CO -0.07 0.88 0.23 -0.09 0.09 0.00 0.00 178.44 179.48 2e7k h ARG 74 N 0.43 0.14 -1.39 1.13 2.43 -1.57 0.44 114.38 115.99 2e7k h ARG 74 Ca 0.08 -0.01 -0.70 0.00 -0.81 0.00 0.00 59.98 58.54 2e7k h ARG 74 Cb 0.60 -0.03 -0.30 0.00 -0.42 0.00 0.00 29.97 29.82 2e7k h ARG 74 CO 0.04 0.09 0.79 0.09 -1.51 0.00 0.00 179.97 179.47 2e7k n ASN 75 N -5.28 7.37 -4.00 -3.80 3.02 -1.17 -2.38 115.26 109.02 2e7k n ASN 75 Ca 0.24 -3.80 -0.32 0.00 -0.03 0.00 0.00 54.58 50.66 2e7k n ASN 75 Cb 0.77 -0.96 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 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 -3.90 3.75 0.35 5.41 0.00 0.15 -4.97 121.76 122.56 2e7k s ALA 76 Ca 0.59 -3.60 -0.22 0.00 0.00 0.00 0.00 51.96 48.73 2e7k s ALA 76 Cb 0.47 -2.41 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 2e7k s ALA 76 CO -0.17 -2.09 0.90 0.45 0.00 0.00 0.00 175.76 174.84 2e7k s SER 77 N -0.49 7.09 0.00 0.00 0.15 -1.26 -4.66 113.70 114.53 2e7k s SER 77 Ca 0.22 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.54 2e7k s SER 77 Cb -0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2e7k s SER 77 CO -0.09 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2e7k n GLY 78 N 0.01 -2.46 3.55 9.45 0.00 -1.24 -4.78 105.19 109.71 2e7k n GLY 78 Ca 0.04 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.86 5.10 0.26 1.61 0.01 -1.26 -3.93 113.70 112.63 2e7k s SER 79 Ca 0.00 0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.30 2e7k s SER 79 Cb 0.00 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 2e7k s SER 79 CO 0.00 -2.54 0.91 -0.69 0.41 0.00 0.00 173.24 171.34 2e7k s VAL 80 N 9.80 4.19 0.02 3.43 1.01 0.18 -4.84 120.40 134.19 2e7k s VAL 80 Ca 0.72 1.90 0.07 0.00 0.00 0.00 0.00 61.98 64.67 2e7k s VAL 80 Cb -0.12 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2e7k s VAL 80 CO 0.18 0.34 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 2e7k s ILE 81 N -1.37 2.68 -0.17 2.22 1.09 -1.26 -0.71 121.20 123.67 2e7k s ILE 81 Ca 0.44 -1.14 -0.05 0.00 -1.10 0.00 0.00 60.65 58.81 2e7k s ILE 81 Cb -0.22 -2.09 0.06 0.00 -1.06 0.00 0.00 42.46 39.15 2e7k s ILE 81 CO 0.27 0.40 0.10 -0.76 -0.10 0.00 0.00 174.94 174.85 2e7k s LEU 82 N -1.23 0.31 -0.68 2.97 1.43 -0.93 -2.94 118.68 117.60 2e7k s LEU 82 Ca 0.13 -0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 2e7k s LEU 82 Cb -0.10 -0.20 0.06 0.00 0.03 0.00 0.00 46.19 45.98 2e7k s LEU 82 CO 0.04 -0.35 1.03 -0.75 0.23 0.00 0.00 176.35 176.55 2e7k s LYS 83 N 2.15 3.14 0.39 1.70 2.20 -0.97 -2.14 119.74 126.22 2e7k s LYS 83 Ca 0.02 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 54.85 2e7k s LYS 83 Cb -0.16 -4.25 -0.04 0.00 -1.51 0.00 0.00 37.83 31.87 2e7k s LYS 83 CO -0.10 -1.88 0.65 0.42 -0.36 0.00 0.00 175.35 174.08 2e7k s ILE 84 N 4.35 5.00 -0.16 5.43 -1.09 -1.26 -0.41 121.20 133.06 2e7k s ILE 84 Ca 0.25 -0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.49 2e7k s ILE 84 Cb -0.15 -3.84 0.05 0.00 -1.58 0.00 0.00 42.46 36.95 2e7k s ILE 84 CO 0.10 -0.63 0.39 -0.76 -1.23 0.00 0.00 174.94 172.81 2e7k s LEU 85 N -4.34 0.05 0.60 2.97 1.02 -0.11 -0.79 118.68 118.08 2e7k s LEU 85 Ca 0.44 0.84 -0.17 0.00 0.02 0.00 0.00 54.13 55.26 2e7k s LEU 85 Cb -0.10 1.29 -0.03 0.00 0.02 0.00 0.00 46.19 47.37 2e7k s LEU 85 CO 0.38 -0.18 1.10 -0.55 0.02 0.00 0.00 176.35 177.12 2e7k s SER 86 N 1.19 5.53 0.03 2.29 0.15 -1.26 -3.05 113.70 118.58 2e7k s SER 86 Ca -0.08 2.00 0.03 0.00 0.70 0.00 0.00 55.95 58.60 2e7k s SER 86 Cb -0.08 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2e7k s SER 86 CO -0.10 -1.34 -0.09 -0.83 1.20 0.00 0.00 173.24 172.08 2e7k s GLY 87 N -2.35 0.51 0.28 9.45 0.00 -1.26 -4.99 107.32 108.97 2e7k s GLY 87 Ca 0.68 -0.63 0.24 0.00 0.00 0.00 0.00 44.72 45.01 2e7k s GLY 87 CO 0.34 -0.64 1.73 -0.56 0.00 0.00 0.00 173.10 173.98 2e7k h PRO 88 N 5.03 0.00 -6.16 2.90 0.13 -2.00 -3.46 132.00 128.44 2e7k h PRO 88 Ca -0.34 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.09 2e7k h PRO 88 Cb 1.19 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.40 2e7k h PRO 88 CO 0.44 0.00 0.03 -1.13 -0.23 0.00 0.00 178.00 177.11 2e7k n SER 89 N -2.31 0.35 -4.74 1.44 3.41 -1.26 -4.89 113.62 105.62 2e7k n SER 89 Ca 0.02 1.14 -0.41 0.00 -0.26 0.00 0.00 58.87 59.37 2e7k n SER 89 Cb 0.23 -1.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.07 2e7k n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e7k s SER 90 N -0.22 7.54 0.00 4.04 0.01 -1.26 -5.19 113.70 118.61 2e7k s SER 90 Ca 0.77 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.86 2e7k s SER 90 Cb -1.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 62.65 2e7k s SER 90 CO 0.54 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.84