#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 1.09 -0.15 1.61 0.01 -1.26 -5.13 113.70 109.86 2e7k s SER 2 Ca 0.00 0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.28 2e7k s SER 2 Cb 0.00 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.21 2e7k s SER 2 CO 0.00 -0.25 0.38 -0.55 0.41 0.00 0.00 173.24 173.23 2e7k s SER 3 N 2.19 -0.45 0.00 2.44 0.15 -1.26 -5.09 113.70 111.68 2e7k s SER 3 Ca 0.05 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2e7k s SER 3 Cb -0.12 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2e7k s SER 3 CO -0.04 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2e7k n GLY 4 N 3.96 -0.69 3.89 9.45 0.00 -1.26 -5.14 105.19 115.40 2e7k n GLY 4 Ca -0.21 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.00 5.49 -0.24 1.61 0.01 -1.26 -5.11 113.70 110.20 2e7k s SER 5 Ca 0.00 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2e7k s SER 5 Cb 0.00 -1.07 0.06 0.00 0.21 0.00 0.00 66.02 65.21 2e7k s SER 5 CO 0.00 -0.35 -0.08 -0.55 0.41 0.00 0.00 173.24 172.66 2e7k s SER 6 N -4.03 4.02 0.00 2.44 0.15 -1.26 -5.05 113.70 109.97 2e7k s SER 6 Ca 0.41 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2e7k s SER 6 Cb -0.07 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 2e7k s SER 6 CO 0.28 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2e7k n GLY 7 N 4.58 0.08 3.15 9.45 0.00 -1.26 -5.08 105.19 116.11 2e7k n GLY 7 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.23 0.52 -0.35 1.61 6.06 -0.91 -4.90 118.95 121.21 2e7k s ARG 8 Ca 0.00 0.79 -0.09 0.00 -2.50 0.00 0.00 55.73 53.93 2e7k s ARG 8 Cb 0.00 0.42 0.03 0.00 0.06 0.00 0.00 34.95 35.46 2e7k s ARG 8 CO 0.00 -0.71 0.16 -1.64 -2.50 0.00 0.00 175.30 170.61 2e7k s MET 9 N 2.86 2.79 -0.22 5.12 -1.94 -1.26 -0.46 119.30 126.20 2e7k s MET 9 Ca 0.16 -1.09 -0.06 0.00 -1.71 0.00 0.00 55.69 53.00 2e7k s MET 9 Cb -0.13 -3.61 -0.02 0.00 2.01 0.00 0.00 34.83 33.08 2e7k s MET 9 CO -0.22 -0.66 0.01 0.08 -0.01 0.00 0.00 175.02 174.23 2e7k s VAL 10 N 1.50 3.97 -0.18 -6.03 1.01 -1.11 -4.92 120.40 114.63 2e7k s VAL 10 Ca 0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2e7k s VAL 10 Cb -0.19 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2e7k s VAL 10 CO 0.05 0.40 0.43 -0.83 0.00 0.00 0.00 175.10 175.15 2e7k s GLY 11 N 1.24 2.15 -0.05 4.51 0.00 -1.26 -3.04 107.32 110.86 2e7k s GLY 11 Ca 0.04 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.37 2e7k s GLY 11 CO 0.01 0.84 -0.19 -0.42 0.00 0.00 0.00 173.10 173.35 2e7k s ILE 12 N 1.21 1.59 -0.81 0.90 1.09 -0.88 -4.95 121.20 119.34 2e7k s ILE 12 Ca 0.21 -0.79 -0.02 0.00 -1.10 0.00 0.00 60.65 58.95 2e7k s ILE 12 Cb -0.15 -1.36 0.31 0.00 -1.06 0.00 0.00 42.46 40.20 2e7k s ILE 12 CO 0.08 0.45 2.13 0.54 -0.10 0.00 0.00 174.94 178.04 2e7k n ARG 13 N 3.20 2.85 -2.99 2.79 5.12 -1.26 -1.49 116.66 124.88 2e7k n ARG 13 Ca -0.18 -3.41 -0.36 0.00 -1.93 0.00 0.00 57.85 51.96 2e7k n ARG 13 Cb 0.53 -2.27 -0.06 0.00 -1.16 0.00 0.00 32.46 29.50 2e7k n ARG 13 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2e7k s LYS 14 N -3.75 4.32 0.11 5.56 -2.85 -1.21 -4.81 119.74 117.11 2e7k s LYS 14 Ca 0.52 1.00 -0.03 0.00 -1.00 0.00 0.00 55.97 56.46 2e7k s LYS 14 Cb 0.42 -2.74 -0.05 0.00 -2.06 0.00 0.00 37.83 33.40 2e7k s LYS 14 CO -0.38 0.29 0.32 0.99 0.10 0.00 0.00 175.35 176.68 2e7k s THR 15 N -1.67 5.23 1.04 3.79 2.01 -1.26 -1.33 115.64 123.46 2e7k s THR 15 Ca 0.48 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 62.18 2e7k s THR 15 Cb -0.16 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 2e7k s THR 15 CO 0.21 0.08 -0.70 0.00 -0.69 0.00 0.00 174.62 173.51 2e7k n ALA 16 N 0.18 -4.87 -3.77 7.40 0.00 -1.25 -3.35 120.51 114.85 2e7k n ALA 16 Ca -0.03 -1.18 -0.26 0.00 0.00 0.00 0.00 53.44 51.96 2e7k n ALA 16 Cb 0.52 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.81 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 2.77 -0.46 2.86 0.00 0.00 -0.58 -4.98 105.19 104.80 2e7k n GLY 17 Ca -0.00 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.36 1.24 -0.14 1.61 0.41 -0.99 -5.06 118.70 109.41 2e7k s GLU 18 Ca 0.49 -0.36 -0.20 0.00 -0.41 0.00 0.00 54.97 54.49 2e7k s GLU 18 Cb -0.24 -1.78 -0.03 0.00 -1.78 0.00 0.00 34.13 30.30 2e7k s GLU 18 CO 0.80 -0.40 0.59 -1.58 -0.49 0.00 0.00 175.26 174.17 2e7k s HIS 19 N 1.72 3.46 -0.13 1.61 5.65 -1.26 -4.10 115.29 122.24 2e7k s HIS 19 Ca 0.02 0.97 -0.27 0.00 0.25 0.00 0.00 55.06 56.03 2e7k s HIS 19 Cb -0.14 -2.71 -0.24 0.00 -1.18 0.00 0.00 32.58 28.30 2e7k s HIS 19 CO -0.07 -0.01 0.76 -0.07 -0.65 0.00 0.00 174.74 174.70 2e7k h LEU 20 N 7.40 -0.00 -0.33 8.88 4.07 -1.96 -3.42 115.31 129.95 2e7k h LEU 20 Ca -0.37 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 56.70 2e7k h LEU 20 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 2e7k h LEU 20 CO 0.76 0.93 0.00 0.61 -1.08 0.00 0.00 178.44 179.66 2e7k n GLY 21 N 1.52 0.64 3.35 0.83 0.00 -1.26 -3.31 105.19 106.95 2e7k n GLY 21 Ca -0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.23 0.05 -0.04 1.61 -7.23 -1.26 -0.90 120.40 111.39 2e7k s VAL 22 Ca 0.00 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.84 2e7k s VAL 22 Cb 0.00 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 2e7k s VAL 22 CO 0.00 -0.21 -0.21 0.42 -0.31 0.00 0.00 175.10 174.79 2e7k s THR 23 N -2.50 1.73 0.09 5.32 -4.23 0.03 -4.91 115.64 111.17 2e7k s THR 23 Ca -0.05 -0.89 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 2e7k s THR 23 Cb -0.01 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2e7k s THR 23 CO -0.02 0.49 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.98 2e7k s PHE 24 N -0.16 2.47 0.04 3.99 0.40 -1.26 0.12 117.98 123.59 2e7k s PHE 24 Ca -0.01 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.09 2e7k s PHE 24 Cb -0.12 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 2e7k s PHE 24 CO 0.02 0.30 -0.21 -0.98 0.70 0.00 0.00 175.22 175.05 2e7k s ARG 25 N -1.80 1.44 -0.42 0.44 1.70 -0.12 -4.67 118.95 115.52 2e7k s ARG 25 Ca 0.15 -0.94 -0.19 0.00 -0.47 0.00 0.00 55.73 54.29 2e7k s ARG 25 Cb -0.10 -1.55 0.02 0.00 -0.57 0.00 0.00 34.95 32.74 2e7k s ARG 25 CO 0.07 0.40 0.52 0.08 -1.08 0.00 0.00 175.30 175.29 2e7k s VAL 26 N -0.78 4.99 0.00 4.99 1.01 -1.26 -2.51 120.40 126.83 2e7k s VAL 26 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2e7k s VAL 26 Cb -0.09 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2e7k s VAL 26 CO 0.02 -0.46 0.00 -0.62 0.00 0.00 0.00 175.10 174.03 2e7k n GLU 27 N 5.85 0.00 -3.68 2.72 -0.58 -1.22 -4.95 120.64 118.78 2e7k n GLU 27 Ca -0.05 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.34 2e7k n GLU 27 Cb 0.48 -0.08 -0.08 0.00 -0.57 0.00 0.00 31.44 31.19 2e7k n GLU 27 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2e7k s GLY 28 N -2.67 2.92 0.00 0.62 0.00 -1.26 -4.79 107.32 102.13 2e7k s GLY 28 Ca 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 44.72 41.02 2e7k s GLY 28 CO 0.00 1.16 0.00 0.61 0.00 0.00 0.00 173.10 174.87 2e7k n GLY 29 N 2.59 -0.26 3.17 0.20 0.00 -1.26 -4.81 105.19 104.82 2e7k n GLY 29 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.48 0.80 -0.21 1.61 -1.05 -1.26 -4.97 118.70 110.14 2e7k s GLU 30 Ca 0.00 -1.14 -0.07 0.00 -0.15 0.00 0.00 54.97 53.61 2e7k s GLU 30 Cb 0.00 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 2e7k s GLU 30 CO 0.00 -0.22 0.05 -0.51 0.95 0.00 0.00 175.26 175.52 2e7k s LEU 31 N -2.92 3.52 -0.05 1.83 1.43 -1.26 -3.42 118.68 117.81 2e7k s LEU 31 Ca 0.10 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 2e7k s LEU 31 Cb 0.06 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2e7k s LEU 31 CO -0.08 0.07 -0.22 0.54 0.23 0.00 0.00 176.35 176.89 2e7k s VAL 32 N 1.01 1.81 -0.63 -1.59 0.11 -1.05 -2.75 120.40 117.32 2e7k s VAL 32 Ca 0.03 -0.94 -0.26 0.00 -2.93 0.00 0.00 61.98 57.89 2e7k s VAL 32 Cb -0.14 -1.54 -0.06 0.00 -1.53 0.00 0.00 36.38 33.10 2e7k s VAL 32 CO 0.03 0.51 2.19 -0.63 -3.33 0.00 0.00 175.10 173.87 2e7k s ILE 33 N -0.12 3.16 0.12 7.04 1.01 -1.22 -0.95 121.20 130.24 2e7k s ILE 33 Ca -0.03 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 2e7k s ILE 33 Cb -0.13 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2e7k s ILE 33 CO 0.03 -0.39 1.68 0.00 0.00 0.00 0.00 174.94 176.26 2e7k h ALA 34 N 16.05 0.42 -2.58 9.38 0.00 0.67 -2.82 119.26 140.38 2e7k h ALA 34 Ca -0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2e7k h ALA 34 Cb 1.16 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 2e7k h ALA 34 CO 1.16 0.00 -0.29 0.50 0.00 0.00 0.00 179.25 180.62 2e7k s ARG 35 N -5.63 0.94 -0.27 0.00 3.52 -1.07 -4.90 118.95 111.54 2e7k s ARG 35 Ca -0.13 -0.93 -0.00 0.00 -0.13 0.00 0.00 55.73 54.53 2e7k s ARG 35 Cb 0.09 0.38 0.08 0.00 -1.56 0.00 0.00 34.95 33.94 2e7k s ARG 35 CO 0.73 -0.33 0.05 0.42 -0.81 0.00 0.00 175.30 175.36 2e7k s ILE 36 N -3.86 1.06 -0.11 4.11 1.01 -1.26 -0.79 121.20 121.36 2e7k s ILE 36 Ca 0.06 -1.25 -0.39 0.00 0.00 0.00 0.00 60.65 59.07 2e7k s ILE 36 Cb 0.04 -1.64 -0.17 0.00 0.01 0.00 0.00 42.46 40.70 2e7k s ILE 36 CO -0.10 -0.44 1.52 0.18 0.00 0.00 0.00 174.94 176.11 2e7k n LEU 37 N 4.80 1.87 -4.72 2.97 4.32 -0.08 -4.88 117.00 121.27 2e7k n LEU 37 Ca -0.05 1.10 -0.36 0.00 -0.02 0.00 0.00 56.01 56.69 2e7k n LEU 37 Cb 0.44 -1.14 0.08 0.00 -1.62 0.00 0.00 43.42 41.18 2e7k n LEU 37 CO 0.14 -0.81 0.85 -2.28 -1.22 0.00 0.00 177.39 174.07 2e7k s HIS 38 N 1.93 2.04 -0.20 -1.77 2.46 -1.26 -4.44 115.29 114.05 2e7k s HIS 38 Ca 0.92 1.55 -0.08 0.00 0.47 0.00 0.00 55.06 57.92 2e7k s HIS 38 Cb -1.05 -3.60 0.03 0.00 -0.13 0.00 0.00 32.58 27.83 2e7k s HIS 38 CO 0.57 -2.81 0.16 0.41 -2.47 0.00 0.00 174.74 170.60 2e7k n GLY 39 N 0.70 -4.44 0.00 1.59 0.00 -1.26 -5.02 105.19 96.76 2e7k n GLY 39 Ca 0.15 1.27 0.00 0.00 0.00 0.00 0.00 46.02 47.44 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 1.50 1.05 0.10 -0.02 0.00 -1.26 -4.96 105.19 101.61 2e7k n GLY 40 Ca -0.27 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 0.53 0.08 1.61 0.00 -1.21 -4.04 117.12 114.09 2e7k n MET 41 Ca 0.00 0.45 -0.06 0.00 -0.00 0.00 0.00 57.70 58.09 2e7k n MET 41 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 33.22 31.55 2e7k n MET 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2e7k h VAL 42 N -1.00 1.62 -0.54 1.12 3.04 -1.86 -2.86 116.25 115.77 2e7k h VAL 42 Ca -0.27 -3.01 0.01 0.00 -1.01 0.00 0.00 66.70 62.42 2e7k h VAL 42 Cb 1.10 2.64 -0.03 0.00 -2.01 0.00 0.00 31.29 32.98 2e7k h VAL 42 CO -0.16 0.86 0.35 0.00 -1.01 0.00 0.00 177.57 177.60 2e7k h ALA 43 N 1.09 0.69 -0.08 3.17 0.00 -1.81 -2.78 119.26 119.53 2e7k h ALA 43 Ca -0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 2e7k h ALA 43 Cb 1.58 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.18 2e7k h ALA 43 CO 0.12 0.09 -0.83 1.96 0.00 0.00 0.00 179.25 180.59 2e7k h GLN 44 N 0.70 0.61 -5.97 0.00 1.08 -1.70 -3.43 115.11 106.39 2e7k h GLN 44 Ca 0.21 -0.54 -0.58 0.00 -1.45 0.00 0.00 58.65 56.28 2e7k h GLN 44 Cb -0.04 0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.45 2e7k h GLN 44 CO -0.06 1.16 0.62 -0.65 -0.95 0.00 0.00 178.83 178.95 2e7k s GLN 45 N -3.57 4.25 -0.26 1.46 -0.21 -1.05 -4.94 119.66 115.34 2e7k s GLN 45 Ca -0.08 1.18 -0.05 0.00 0.02 0.00 0.00 55.36 56.43 2e7k s GLN 45 Cb 0.09 -3.63 -0.08 0.00 1.00 0.00 0.00 33.01 30.39 2e7k s GLN 45 CO 0.88 -0.54 3.12 0.41 -2.12 0.00 0.00 175.29 177.05 2e7k n GLY 46 N 3.47 3.76 0.58 3.09 0.00 -1.26 -4.17 105.19 110.67 2e7k n GLY 46 Ca 0.09 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 1.56 1.11 -4.94 0.99 4.77 -1.26 -5.04 117.00 114.18 2e7k n LEU 47 Ca 0.46 0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 56.36 2e7k n LEU 47 Cb 0.71 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2e7k n LEU 47 CO 0.24 0.07 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.52 2e7k s LEU 48 N -6.93 4.33 0.17 2.23 1.43 -1.26 -5.11 118.68 113.54 2e7k s LEU 48 Ca -0.18 0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 2e7k s LEU 48 Cb 0.06 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.40 2e7k s LEU 48 CO 0.23 0.04 0.82 -1.00 0.23 0.00 0.00 176.35 176.67 2e7k s HIS 49 N -1.77 -0.24 0.09 0.29 3.76 -1.26 -4.93 115.29 111.23 2e7k s HIS 49 Ca 0.35 -0.07 -0.36 0.00 -0.15 0.00 0.00 55.06 54.83 2e7k s HIS 49 Cb -0.11 0.63 -0.18 0.00 1.11 0.00 0.00 32.58 34.03 2e7k s HIS 49 CO 0.29 -0.91 1.03 0.28 -0.85 0.00 0.00 174.74 174.57 2e7k n VAL 50 N -0.42 0.57 0.00 -0.90 0.31 -1.26 -1.37 118.33 115.26 2e7k n VAL 50 Ca -0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2e7k n VAL 50 Cb 0.61 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 1.85 1.78 3.57 2.92 0.00 -1.06 -4.96 105.19 109.29 2e7k n GLY 51 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.57 5.24 -0.20 1.61 1.11 -0.47 -4.72 116.67 117.67 2e7k s ASP 52 Ca 0.00 0.98 -0.24 0.00 0.18 0.00 0.00 52.55 53.48 2e7k s ASP 52 Cb 0.00 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 2e7k s ASP 52 CO 0.00 -2.28 0.78 -0.63 1.18 0.00 0.00 175.17 174.22 2e7k s ILE 53 N 9.23 4.90 -0.28 0.77 1.01 -1.15 -3.45 121.20 132.22 2e7k s ILE 53 Ca 0.83 1.49 -0.15 0.00 0.00 0.00 0.00 60.65 62.81 2e7k s ILE 53 Cb -0.19 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 2e7k s ILE 53 CO 0.27 0.01 0.39 -0.63 0.00 0.00 0.00 174.94 174.99 2e7k s ILE 54 N 2.34 5.15 -0.13 2.92 1.01 -1.11 -0.33 121.20 131.05 2e7k s ILE 54 Ca 0.34 0.51 -0.10 0.00 0.00 0.00 0.00 60.65 61.40 2e7k s ILE 54 Cb -0.16 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 2e7k s ILE 54 CO 0.10 0.09 0.16 0.50 0.00 0.00 0.00 174.94 175.80 2e7k h LYS 55 N 8.22 0.00 -4.50 2.79 1.63 -1.26 -3.40 116.57 120.04 2e7k h LYS 55 Ca -0.31 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.28 2e7k h LYS 55 Cb 1.16 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.64 2e7k h LYS 55 CO 0.66 0.32 -0.62 -2.00 -3.45 0.00 0.00 179.45 174.37 2e7k s GLU 56 N -1.91 1.10 -0.20 1.90 2.12 -1.26 -4.26 118.70 116.19 2e7k s GLU 56 Ca -0.10 -1.54 -0.01 0.00 0.36 0.00 0.00 54.97 53.68 2e7k s GLU 56 Cb 0.00 0.27 0.06 0.00 0.26 0.00 0.00 34.13 34.71 2e7k s GLU 56 CO 0.25 -0.35 -0.02 0.08 -0.54 0.00 0.00 175.26 174.69 2e7k s VAL 57 N -4.11 1.07 -0.68 3.70 1.01 0.59 -1.90 120.40 120.07 2e7k s VAL 57 Ca 0.33 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2e7k s VAL 57 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2e7k s VAL 57 CO 0.08 -0.08 0.00 -0.46 0.00 0.00 0.00 175.10 174.63 2e7k n ASN 58 N 4.86 -2.46 0.00 3.32 0.23 0.12 0.76 115.26 122.08 2e7k n ASN 58 Ca -0.11 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 2e7k n ASN 58 Cb 0.46 -2.27 0.00 0.00 -2.08 0.00 0.00 39.78 35.89 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 -0.49 1.23 3.08 4.83 0.00 -1.26 -4.98 105.19 107.59 2e7k n GLY 59 Ca -0.08 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.77 1.07 0.09 1.61 -0.21 0.23 -5.12 119.66 115.56 2e7k s GLN 60 Ca 0.00 -0.45 -0.31 0.00 0.02 0.00 0.00 55.36 54.62 2e7k s GLN 60 Cb 0.00 -1.02 -0.07 0.00 1.00 0.00 0.00 33.01 32.92 2e7k s GLN 60 CO 0.00 0.26 1.38 -1.25 -2.12 0.00 0.00 175.29 173.56 2e7k s PRO 61 N -0.23 4.32 0.28 2.91 0.04 -1.26 -0.30 135.00 140.76 2e7k s PRO 61 Ca 0.04 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.28 2e7k s PRO 61 Cb -0.06 -3.32 0.09 0.00 0.04 0.00 0.00 34.50 31.25 2e7k s PRO 61 CO -0.00 -0.45 1.39 -0.39 0.04 0.00 0.00 177.00 177.59 2e7k h VAL 62 N 4.40 0.65 -1.46 -0.36 -1.51 -1.92 -3.47 116.25 112.58 2e7k h VAL 62 Ca -0.41 -1.94 0.18 0.00 -1.23 0.00 0.00 66.70 63.29 2e7k h VAL 62 Cb 1.20 2.28 -0.05 0.00 -2.13 0.00 0.00 31.29 32.59 2e7k h VAL 62 CO 0.87 0.37 -0.25 0.61 -1.23 0.00 0.00 177.57 177.93 2e7k n GLY 63 N 1.22 -1.61 1.87 5.19 0.00 -1.26 -4.20 105.19 106.40 2e7k n GLY 63 Ca 0.01 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.54 3.63 -4.04 1.61 3.41 -1.26 -4.77 113.62 109.65 2e7k n SER 64 Ca 0.00 -3.13 -0.31 0.00 -0.26 0.00 0.00 58.87 55.16 2e7k n SER 64 Cb 0.30 -0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 63.35 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 -0.61 4.61 0.07 4.04 1.11 -1.26 -4.90 116.67 119.74 2e7k s ASP 65 Ca 0.40 -1.79 -0.17 0.00 0.18 0.00 0.00 52.55 51.17 2e7k s ASP 65 Cb 0.34 -1.59 -0.11 0.00 1.07 0.00 0.00 42.92 42.63 2e7k s ASP 65 CO 0.07 -0.29 1.39 1.55 1.18 0.00 0.00 175.17 179.08 2e7k h PRO 66 N 7.69 0.55 0.00 8.23 0.13 -1.87 -2.36 132.00 144.37 2e7k h PRO 66 Ca -0.11 -0.29 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2e7k h PRO 66 Cb 1.03 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2e7k h PRO 66 CO 0.49 0.87 -0.15 0.00 -0.23 0.00 0.00 178.00 178.99 2e7k h ARG 67 N 0.24 0.00 0.00 0.86 3.08 -1.94 -1.71 114.38 114.91 2e7k h ARG 67 Ca 0.04 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2e7k h ARG 67 Cb 0.77 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2e7k h ARG 67 CO 0.05 0.15 -0.64 0.00 -1.07 0.00 0.00 179.97 178.46 2e7k h ALA 68 N 1.85 0.59 0.11 0.04 0.00 -1.93 -3.31 119.26 116.61 2e7k h ALA 68 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2e7k h ALA 68 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2e7k h ALA 68 CO 0.02 0.79 -0.05 1.25 0.00 0.00 0.00 179.25 181.25 2e7k h LEU 69 N 0.00 -0.13 -1.21 0.00 5.85 -0.78 -2.59 115.31 116.46 2e7k h LEU 69 Ca -0.01 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2e7k h LEU 69 Cb 1.49 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2e7k h LEU 69 CO 0.08 0.45 0.28 1.56 -0.34 0.00 0.00 178.44 180.47 2e7k h GLN 70 N -0.79 0.00 0.02 1.25 4.20 -1.54 0.37 115.11 118.62 2e7k h GLN 70 Ca -0.02 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.37 2e7k h GLN 70 Cb 0.56 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 2e7k h GLN 70 CO 0.03 0.00 -1.96 -1.91 -0.67 0.00 0.00 178.83 174.31 2e7k n GLU 71 N -2.28 0.67 -0.20 1.46 4.07 -1.16 -3.80 120.64 119.39 2e7k n GLU 71 Ca -0.01 0.21 -0.07 0.00 -0.06 0.00 0.00 57.16 57.23 2e7k n GLU 71 Cb 0.31 -1.70 0.02 0.00 -0.06 0.00 0.00 31.44 30.01 2e7k n GLU 71 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 2e7k h LEU 72 N 0.01 0.71 -0.14 4.31 8.10 0.14 -3.00 115.31 125.45 2e7k h LEU 72 Ca -0.39 -0.11 -0.01 0.00 0.11 0.00 0.00 57.88 57.48 2e7k h LEU 72 Cb 2.07 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 42.10 2e7k h LEU 72 CO 0.06 0.62 0.04 -0.07 -4.11 0.00 0.00 178.44 174.98 2e7k h LEU 73 N 0.75 0.21 -0.87 0.17 3.38 -1.68 -1.94 115.31 115.34 2e7k h LEU 73 Ca 0.19 -0.22 0.19 0.00 0.09 0.00 0.00 57.88 58.14 2e7k h LEU 73 Cb 0.08 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 2e7k h LEU 73 CO -0.03 0.37 -0.15 -1.14 0.09 0.00 0.00 178.44 177.58 2e7k n ARG 74 N -4.85 -0.08 -0.04 1.13 0.63 -1.14 -0.32 116.66 112.00 2e7k n ARG 74 Ca -0.05 1.34 -0.14 0.00 -0.92 0.00 0.00 57.85 58.07 2e7k n ARG 74 Cb 0.15 -2.03 -0.12 0.00 0.45 0.00 0.00 32.46 30.91 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 0.10 -0.76 6.15 2.35 -1.55 -1.43 115.58 120.44 2e7k h ASN 75 Ca 0.45 -0.81 -0.67 0.00 -0.55 0.00 0.00 56.30 54.72 2e7k h ASN 75 Cb 0.76 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.10 2e7k h ASN 75 CO -0.87 0.90 0.51 0.00 -1.65 0.00 0.00 177.43 176.32 2e7k n ALA 76 N -2.53 -1.08 -2.74 -0.83 0.00 0.56 -3.94 120.51 109.95 2e7k n ALA 76 Ca -0.10 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 2e7k n ALA 76 Cb 0.46 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 2.23 3.93 0.91 0.00 0.15 -1.26 -4.14 113.70 115.52 2e7k s SER 77 Ca 0.80 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2e7k s SER 77 Cb -1.14 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2e7k s SER 77 CO 0.62 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2e7k n GLY 78 N -1.24 1.30 3.59 9.45 0.00 -0.44 -4.37 105.19 113.48 2e7k n GLY 78 Ca -0.19 -0.56 -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 -0.56 0.00 0.00 0.00 173.32 172.76 2e7k s SER 79 N -4.00 6.34 -0.12 1.61 0.01 -1.26 -3.35 113.70 112.93 2e7k s SER 79 Ca 0.00 0.58 -0.03 0.00 1.31 0.00 0.00 55.95 57.81 2e7k s SER 79 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2e7k s SER 79 CO 0.00 -1.48 -0.03 -0.69 0.41 0.00 0.00 173.24 171.45 2e7k s VAL 80 N 5.41 4.03 -0.11 3.43 1.01 -0.55 -4.93 120.40 128.69 2e7k s VAL 80 Ca 0.56 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 2e7k s VAL 80 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2e7k s VAL 80 CO 0.30 0.54 0.01 -0.63 0.00 0.00 0.00 175.10 175.32 2e7k s ILE 81 N -0.19 4.33 -0.13 2.22 1.09 -1.26 -2.08 121.20 125.17 2e7k s ILE 81 Ca 0.04 -0.23 -0.01 0.00 -1.10 0.00 0.00 60.65 59.35 2e7k s ILE 81 Cb -0.13 -2.85 0.04 0.00 -1.06 0.00 0.00 42.46 38.46 2e7k s ILE 81 CO 0.02 0.57 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.63 2e7k s LEU 82 N -0.49 1.22 -0.41 2.97 1.43 -1.17 -0.70 118.68 121.53 2e7k s LEU 82 Ca 0.09 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 2e7k s LEU 82 Cb -0.12 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.36 2e7k s LEU 82 CO 0.02 -0.18 0.80 -0.75 0.23 0.00 0.00 176.35 176.47 2e7k s LYS 83 N 1.75 3.60 0.20 1.70 2.20 -0.80 -2.76 119.74 125.64 2e7k s LYS 83 Ca 0.03 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.84 2e7k s LYS 83 Cb -0.14 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 2e7k s LYS 83 CO -0.07 -0.99 0.14 0.42 -0.36 0.00 0.00 175.35 174.49 2e7k s ILE 84 N 3.24 4.39 0.01 5.43 -1.09 0.39 -0.70 121.20 132.87 2e7k s ILE 84 Ca 0.31 -1.25 -0.05 0.00 -2.23 0.00 0.00 60.65 57.44 2e7k s ILE 84 Cb -0.12 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.46 2e7k s ILE 84 CO 0.20 -0.20 0.07 -0.76 -1.23 0.00 0.00 174.94 173.02 2e7k s LEU 85 N -3.38 1.83 0.06 2.97 1.02 0.55 -2.15 118.68 119.58 2e7k s LEU 85 Ca 0.31 -0.36 -0.37 0.00 0.02 0.00 0.00 54.13 53.73 2e7k s LEU 85 Cb -0.09 0.47 -0.20 0.00 0.02 0.00 0.00 46.19 46.38 2e7k s LEU 85 CO 0.23 -0.37 1.53 0.28 0.02 0.00 0.00 176.35 178.05 2e7k h SER 86 N 4.30 -1.12 -2.97 2.29 0.02 -1.90 -3.05 113.55 111.11 2e7k h SER 86 Ca -0.31 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2e7k h SER 86 Cb 1.20 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2e7k h SER 86 CO 0.42 -0.79 0.00 0.61 -1.14 0.00 0.00 176.83 175.93 2e7k n GLY 87 N -1.60 4.51 0.22 -3.77 0.00 -1.26 -4.71 105.19 98.57 2e7k n GLY 87 Ca -0.16 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2e7k n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7k h PRO 88 N 0.00 0.72 -4.88 1.61 0.13 -2.00 -3.43 132.00 124.15 2e7k h PRO 88 Ca 0.00 -0.37 -0.39 0.00 -0.87 0.00 0.00 66.00 64.36 2e7k h PRO 88 Cb 0.00 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.03 2e7k h PRO 88 CO 0.00 0.99 1.90 -1.13 -0.23 0.00 0.00 178.00 179.53 2e7k n SER 89 N -4.26 -0.90 -3.42 1.44 3.41 -1.26 -4.75 113.62 103.88 2e7k n SER 89 Ca -0.04 -0.31 0.01 0.00 -0.26 0.00 0.00 58.87 58.27 2e7k n SER 89 Cb 0.47 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 2e7k n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e7k s SER 90 N 2.75 -0.47 0.00 4.04 0.15 -1.26 -5.21 113.70 113.69 2e7k s SER 90 Ca 1.30 0.66 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2e7k s SER 90 Cb -0.95 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2e7k s SER 90 CO 0.53 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.49