#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 6.33 -0.31 1.61 0.01 -1.26 -5.02 113.70 115.07 2e7k s SER 2 Ca 0.00 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 2e7k s SER 2 Cb 0.00 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2e7k s SER 2 CO 0.00 -0.95 1.07 -0.44 0.41 0.00 0.00 173.24 173.33 2e7k s SER 3 N 2.38 6.95 -0.56 2.44 0.01 -1.26 -4.96 113.70 118.70 2e7k s SER 3 Ca 0.25 1.09 0.07 0.00 1.31 0.00 0.00 55.95 58.67 2e7k s SER 3 Cb -0.14 -2.54 0.25 0.00 0.21 0.00 0.00 66.02 63.80 2e7k s SER 3 CO 0.19 -0.85 0.68 0.61 0.41 0.00 0.00 173.24 174.28 2e7k n GLY 4 N 3.80 4.23 3.43 3.44 0.00 -1.26 -5.05 105.19 113.77 2e7k n GLY 4 Ca 0.12 -2.40 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.10 -0.56 0.35 1.61 0.15 -1.26 -5.17 113.70 106.72 2e7k s SER 5 Ca 0.39 1.07 0.05 0.00 0.70 0.00 0.00 55.95 58.16 2e7k s SER 5 Cb 0.16 1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 65.53 2e7k s SER 5 CO -0.04 -0.19 0.50 -0.44 1.20 0.00 0.00 173.24 174.28 2e7k s SER 6 N 0.40 5.95 0.88 5.45 0.01 -1.26 -4.95 113.70 120.19 2e7k s SER 6 Ca -0.01 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2e7k s SER 6 Cb -0.04 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2e7k s SER 6 CO -0.01 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2e7k n GLY 7 N -1.72 3.08 3.15 3.44 0.00 -1.26 -4.54 105.19 107.34 2e7k n GLY 7 Ca -0.00 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 0.27 -0.47 1.61 3.52 -0.85 -4.86 118.95 118.17 2e7k s ARG 8 Ca 0.00 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.71 2e7k s ARG 8 Cb 0.00 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 2e7k s ARG 8 CO 0.00 -0.38 1.32 -1.64 -0.81 0.00 0.00 175.30 173.79 2e7k s MET 9 N 2.93 3.57 -0.25 5.12 -1.94 -1.25 -2.38 119.30 125.10 2e7k s MET 9 Ca 0.11 0.71 -0.13 0.00 -1.71 0.00 0.00 55.69 54.67 2e7k s MET 9 Cb -0.09 -4.01 -0.04 0.00 2.01 0.00 0.00 34.83 32.70 2e7k s MET 9 CO -0.17 -1.58 0.27 0.08 -0.01 0.00 0.00 175.02 173.61 2e7k s VAL 10 N 5.23 5.26 -0.16 -6.03 1.01 -0.69 -4.82 120.40 120.20 2e7k s VAL 10 Ca 0.55 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 2e7k s VAL 10 Cb -0.11 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2e7k s VAL 10 CO 0.31 0.25 0.50 -0.83 0.00 0.00 0.00 175.10 175.33 2e7k s GLY 11 N 1.37 2.21 -0.06 4.51 0.00 -1.25 -2.40 107.32 111.70 2e7k s GLY 11 Ca 0.12 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.56 2e7k s GLY 11 CO 0.08 0.94 -0.14 -0.42 0.00 0.00 0.00 173.10 173.57 2e7k s ILE 12 N 1.20 3.07 -0.66 0.90 1.09 -0.69 -4.94 121.20 121.16 2e7k s ILE 12 Ca 0.25 -0.71 -0.01 0.00 -1.10 0.00 0.00 60.65 59.07 2e7k s ILE 12 Cb -0.15 -2.21 0.43 0.00 -1.06 0.00 0.00 42.46 39.47 2e7k s ILE 12 CO 0.10 0.59 1.94 0.54 -0.10 0.00 0.00 174.94 178.01 2e7k n ARG 13 N 2.39 2.80 -1.57 2.79 3.00 -1.26 -2.72 116.66 122.08 2e7k n ARG 13 Ca -0.17 -3.43 -0.30 0.00 -0.01 0.00 0.00 57.85 53.93 2e7k n ARG 13 Cb 0.52 -2.28 0.09 0.00 0.00 0.00 0.00 32.46 30.79 2e7k n ARG 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2e7k s LYS 14 N -3.85 2.07 0.10 5.56 -2.85 -1.26 -4.97 119.74 114.54 2e7k s LYS 14 Ca 0.61 0.61 0.08 0.00 -1.00 0.00 0.00 55.97 56.27 2e7k s LYS 14 Cb 0.49 -1.92 -0.03 0.00 -2.06 0.00 0.00 37.83 34.30 2e7k s LYS 14 CO -0.08 -1.62 -0.20 -0.08 0.10 0.00 0.00 175.35 173.46 2e7k s THR 15 N -3.18 1.67 0.03 3.79 -1.32 -1.26 -3.27 115.64 112.11 2e7k s THR 15 Ca 0.61 -1.53 -0.23 0.00 -1.21 0.00 0.00 61.69 59.32 2e7k s THR 15 Cb -0.14 -1.53 -0.12 0.00 -1.51 0.00 0.00 72.50 69.20 2e7k s THR 15 CO 0.54 -0.08 0.58 0.00 -2.21 0.00 0.00 174.62 173.46 2e7k n ALA 16 N 1.08 -2.41 0.00 11.08 0.00 -1.26 0.48 120.51 129.47 2e7k n ALA 16 Ca -0.20 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2e7k n ALA 16 Cb 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.03 1.50 3.18 0.00 0.00 0.07 -4.95 105.19 106.02 2e7k n GLY 17 Ca 0.12 -0.04 -0.56 0.00 0.00 0.00 0.00 46.02 45.54 2e7k n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2e7k n GLU 18 N 0.00 0.00 -3.44 1.61 4.07 0.18 -4.79 120.64 118.27 2e7k n GLU 18 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 2e7k n GLU 18 Cb 0.00 -1.32 -0.01 0.00 -0.06 0.00 0.00 31.44 30.05 2e7k n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2e7k s HIS 19 N 1.36 3.50 -0.14 4.31 2.46 -1.26 -4.48 115.29 121.05 2e7k s HIS 19 Ca 0.86 0.32 -0.08 0.00 0.47 0.00 0.00 55.06 56.63 2e7k s HIS 19 Cb -1.22 -1.87 -0.04 0.00 -0.13 0.00 0.00 32.58 29.32 2e7k s HIS 19 CO 0.61 0.16 -0.09 -0.07 -2.47 0.00 0.00 174.74 172.88 2e7k h LEU 20 N 0.84 0.00 0.00 8.88 -0.00 -1.91 -3.43 115.31 119.70 2e7k h LEU 20 Ca -0.50 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 2e7k h LEU 20 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2e7k h LEU 20 CO 0.62 0.75 0.00 0.61 -0.00 0.00 0.00 178.44 180.41 2e7k n GLY 21 N 1.64 0.76 3.21 0.83 0.00 -1.26 -3.45 105.19 106.93 2e7k n GLY 21 Ca -0.07 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.64 0.13 -0.14 1.61 -7.23 -1.26 -1.35 120.40 110.52 2e7k s VAL 22 Ca 0.00 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2e7k s VAL 22 Cb 0.00 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.29 2e7k s VAL 22 CO 0.00 -0.57 -0.13 0.42 -0.31 0.00 0.00 175.10 174.51 2e7k s THR 23 N -3.94 1.49 0.06 5.32 -4.23 -0.04 -4.99 115.64 109.30 2e7k s THR 23 Ca 0.13 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 2e7k s THR 23 Cb 0.06 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 2e7k s THR 23 CO -0.05 0.44 0.24 -0.36 -0.54 0.00 0.00 174.62 174.35 2e7k s PHE 24 N 1.50 3.52 0.13 3.99 0.08 -1.26 0.21 117.98 126.14 2e7k s PHE 24 Ca 0.05 0.35 0.08 0.00 0.12 0.00 0.00 56.93 57.53 2e7k s PHE 24 Cb -0.13 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2e7k s PHE 24 CO -0.10 0.58 -0.19 -0.98 -0.10 0.00 0.00 175.22 174.43 2e7k s ARG 25 N -2.35 1.14 -0.42 0.44 1.70 0.76 -4.70 118.95 115.52 2e7k s ARG 25 Ca 0.34 -1.25 -0.07 0.00 -0.47 0.00 0.00 55.73 54.28 2e7k s ARG 25 Cb -0.13 -1.26 0.09 0.00 -0.57 0.00 0.00 34.95 33.08 2e7k s ARG 25 CO 0.24 0.27 0.24 0.08 -1.08 0.00 0.00 175.30 175.06 2e7k s VAL 26 N -1.63 3.90 -0.13 4.99 1.01 -1.26 -1.55 120.40 125.73 2e7k s VAL 26 Ca 0.10 -1.63 -0.01 0.00 0.00 0.00 0.00 61.98 60.44 2e7k s VAL 26 Cb -0.08 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2e7k s VAL 26 CO 0.05 -0.57 -0.03 -1.83 0.00 0.00 0.00 175.10 172.72 2e7k s GLU 27 N 1.33 1.09 0.00 2.72 4.04 -1.20 -4.78 118.70 121.90 2e7k s GLU 27 Ca 0.04 -0.24 0.00 0.00 0.04 0.00 0.00 54.97 54.81 2e7k s GLU 27 Cb -0.23 -1.60 0.00 0.00 0.02 0.00 0.00 34.13 32.32 2e7k s GLU 27 CO -0.00 -0.38 0.00 0.41 -1.84 0.00 0.00 175.26 173.45 2e7k n GLY 28 N 5.00 2.91 0.00 -3.83 0.00 -1.26 -3.70 105.19 104.31 2e7k n GLY 28 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.96 1.61 3.07 -0.02 0.00 -1.26 -5.15 105.19 102.49 2e7k n GLY 29 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.41 -0.38 1.61 1.03 -1.24 -4.98 118.70 115.14 2e7k s GLU 30 Ca 0.00 -0.34 -0.25 0.00 0.03 0.00 0.00 54.97 54.41 2e7k s GLU 30 Cb 0.00 0.17 0.02 0.00 -0.80 0.00 0.00 34.13 33.51 2e7k s GLU 30 CO 0.00 -0.09 0.89 -0.51 -1.33 0.00 0.00 175.26 174.22 2e7k s LEU 31 N -1.17 4.03 -0.09 1.83 1.43 -1.26 -3.27 118.68 120.19 2e7k s LEU 31 Ca -0.13 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2e7k s LEU 31 Cb -0.07 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.95 2e7k s LEU 31 CO 0.01 -0.85 -0.24 -0.69 0.23 0.00 0.00 176.35 174.81 2e7k s VAL 32 N 3.42 2.10 -0.75 -1.59 1.01 -0.59 -1.47 120.40 122.53 2e7k s VAL 32 Ca 0.36 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 2e7k s VAL 32 Cb -0.12 -1.78 -0.14 0.00 0.00 0.00 0.00 36.38 34.34 2e7k s VAL 32 CO 0.19 0.56 2.41 -0.38 0.00 0.00 0.00 175.10 177.89 2e7k n ILE 33 N 3.33 -0.02 -0.01 2.22 5.41 -0.92 -0.17 119.36 129.20 2e7k n ILE 33 Ca -0.18 -0.55 -0.10 0.00 1.00 0.00 0.00 62.75 62.92 2e7k n ILE 33 Cb 0.53 -2.04 -0.04 0.00 -0.71 0.00 0.00 39.64 37.38 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 13.83 -0.32 -2.58 -1.39 0.00 0.21 -3.22 119.26 125.78 2e7k h ALA 34 Ca -0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2e7k h ALA 34 Cb 1.06 0.60 -0.14 0.00 0.00 0.00 0.00 17.79 19.30 2e7k h ALA 34 CO 1.06 -0.77 -0.28 0.50 0.00 0.00 0.00 179.25 179.75 2e7k s ARG 35 N -6.01 0.92 -0.08 0.00 3.52 -0.65 -4.86 118.95 111.79 2e7k s ARG 35 Ca -0.15 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.56 2e7k s ARG 35 Cb 0.11 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.90 2e7k s ARG 35 CO 0.66 -0.32 -0.08 0.42 -0.81 0.00 0.00 175.30 175.17 2e7k s ILE 36 N -3.85 0.95 0.39 4.11 1.01 -1.26 -0.86 121.20 121.68 2e7k s ILE 36 Ca 0.05 -0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 2e7k s ILE 36 Cb 0.04 -0.93 -0.10 0.00 0.01 0.00 0.00 42.46 41.48 2e7k s ILE 36 CO -0.11 0.33 0.99 -0.76 0.00 0.00 0.00 174.94 175.40 2e7k s LEU 37 N 1.21 4.14 0.81 2.97 1.02 -0.46 -4.99 118.68 123.38 2e7k s LEU 37 Ca -0.05 1.88 -0.11 0.00 0.02 0.00 0.00 54.13 55.87 2e7k s LEU 37 Cb -0.14 -4.24 0.09 0.00 0.02 0.00 0.00 46.19 41.92 2e7k s LEU 37 CO -0.02 -0.34 1.16 -1.38 0.02 0.00 0.00 176.35 175.79 2e7k s HIS 38 N -1.79 2.78 -1.40 0.29 -3.43 -1.26 -4.27 115.29 106.21 2e7k s HIS 38 Ca 0.57 0.63 -0.09 0.00 -0.80 0.00 0.00 55.06 55.38 2e7k s HIS 38 Cb -0.17 -3.51 0.03 0.00 -1.43 0.00 0.00 32.58 27.50 2e7k s HIS 38 CO 0.22 -1.81 1.04 0.41 -2.00 0.00 0.00 174.74 172.60 2e7k n GLY 39 N -3.29 -0.48 0.00 -1.38 0.00 -1.26 -4.97 105.19 93.82 2e7k n GLY 39 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.74 5.41 0.06 -0.02 0.00 -1.26 -5.03 105.19 102.62 2e7k n GLY 40 Ca -0.05 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.13 -0.21 1.61 1.85 -1.83 -3.02 114.93 113.21 2e7k h MET 41 Ca 0.00 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.14 2e7k h MET 41 Cb 0.00 0.03 -0.07 0.00 0.43 0.00 0.00 31.60 31.99 2e7k h MET 41 CO 0.00 -0.08 -0.51 0.28 -0.40 0.00 0.00 176.91 176.20 2e7k h VAL 42 N -0.38 0.04 -0.21 -5.77 2.07 -1.91 -1.15 116.25 108.95 2e7k h VAL 42 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2e7k h VAL 42 Cb 0.10 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 2e7k h VAL 42 CO 0.02 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.42 2e7k h ALA 43 N -0.08 -0.35 -0.52 1.67 0.00 -1.75 -0.06 119.26 118.17 2e7k h ALA 43 Ca 0.06 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2e7k h ALA 43 Cb 0.65 0.96 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 2e7k h ALA 43 CO -0.47 -0.45 -0.54 1.96 0.00 0.00 0.00 179.25 179.74 2e7k h GLN 44 N -0.08 -0.28 -0.90 0.00 1.08 -1.36 0.95 115.11 114.52 2e7k h GLN 44 Ca 0.04 0.02 0.25 0.00 -1.45 0.00 0.00 58.65 57.50 2e7k h GLN 44 Cb 0.17 0.06 -0.15 0.00 -0.05 0.00 0.00 27.48 27.51 2e7k h GLN 44 CO -0.24 -0.19 0.18 1.96 -0.95 0.00 0.00 178.83 179.59 2e7k h GLN 45 N -0.29 0.14 0.00 1.46 4.20 -0.60 -3.44 115.11 116.57 2e7k h GLN 45 Ca 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2e7k h GLN 45 Cb 0.52 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2e7k h GLN 45 CO -0.64 0.09 0.00 0.41 -0.67 0.00 0.00 178.83 178.02 2e7k n GLY 46 N -1.40 2.51 0.00 3.46 0.00 0.33 -4.90 105.19 105.18 2e7k n GLY 46 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.23 -4.75 0.99 4.77 -1.26 -4.78 117.00 112.19 2e7k n LEU 47 Ca 0.00 0.72 -0.38 0.00 -0.03 0.00 0.00 56.01 56.32 2e7k n LEU 47 Cb 0.00 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2e7k n LEU 47 CO 0.00 -0.38 0.97 -0.76 -1.33 0.00 0.00 177.39 175.89 2e7k s LEU 48 N -3.28 3.89 -0.03 2.23 1.43 -1.26 -5.03 118.68 116.63 2e7k s LEU 48 Ca 0.00 2.71 -0.26 0.00 -1.03 0.00 0.00 54.13 55.55 2e7k s LEU 48 Cb 0.00 -4.25 0.06 0.00 0.03 0.00 0.00 46.19 42.03 2e7k s LEU 48 CO 0.00 -1.46 0.57 -1.38 0.23 0.00 0.00 176.35 174.31 2e7k s HIS 49 N -1.33 -0.52 -0.04 0.29 -3.43 -1.26 -4.84 115.29 104.15 2e7k s HIS 49 Ca 0.70 0.83 -0.31 0.00 -0.80 0.00 0.00 55.06 55.49 2e7k s HIS 49 Cb -0.39 0.33 -0.15 0.00 -1.43 0.00 0.00 32.58 30.94 2e7k s HIS 49 CO 0.46 -0.57 0.85 0.28 -2.00 0.00 0.00 174.74 173.76 2e7k n VAL 50 N 0.91 0.00 0.00 -5.38 0.31 -1.26 -1.39 118.33 111.52 2e7k n VAL 50 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2e7k n VAL 50 Cb 0.57 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 1.34 2.84 3.67 2.92 0.00 -1.21 -5.00 105.19 109.75 2e7k n GLY 51 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 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 3.12 -4.46 1.61 9.92 -0.49 -4.74 116.55 121.51 2e7k n ASP 52 Ca 0.00 1.09 -0.35 0.00 -0.53 0.00 0.00 54.79 54.99 2e7k n ASP 52 Cb 0.00 -1.43 -0.12 0.00 -0.64 0.00 0.00 41.12 38.92 2e7k n ASP 52 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2e7k s ILE 53 N 0.87 4.06 -0.09 0.53 1.01 -0.94 -2.16 121.20 124.48 2e7k s ILE 53 Ca 0.78 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 2e7k s ILE 53 Cb -0.67 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2e7k s ILE 53 CO 0.38 0.41 0.24 -0.63 0.00 0.00 0.00 174.94 175.35 2e7k s ILE 54 N 1.08 5.33 0.02 2.92 1.01 -0.54 0.22 121.20 131.24 2e7k s ILE 54 Ca 0.03 0.44 -0.04 0.00 0.00 0.00 0.00 60.65 61.09 2e7k s ILE 54 Cb -0.14 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2e7k s ILE 54 CO 0.02 0.57 -0.07 0.29 0.00 0.00 0.00 174.94 175.74 2e7k n LYS 55 N 2.21 0.11 -4.11 2.79 4.76 -0.89 -4.20 118.16 118.84 2e7k n LYS 55 Ca -0.17 0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.20 2e7k n LYS 55 Cb 0.54 -0.70 -0.11 0.00 -1.84 0.00 0.00 35.03 32.92 2e7k n LYS 55 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2e7k s GLU 56 N -2.17 0.65 -0.08 1.97 2.12 -1.26 -3.92 118.70 116.02 2e7k s GLU 56 Ca -0.06 -1.01 -0.01 0.00 0.36 0.00 0.00 54.97 54.25 2e7k s GLU 56 Cb 0.01 -0.22 0.03 0.00 0.26 0.00 0.00 34.13 34.21 2e7k s GLU 56 CO 0.09 0.01 -0.02 0.08 -0.54 0.00 0.00 175.26 174.88 2e7k s VAL 57 N -2.42 0.55 -0.85 3.70 1.01 -0.19 -1.95 120.40 120.25 2e7k s VAL 57 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2e7k s VAL 57 Cb -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2e7k s VAL 57 CO -0.02 0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.95 2e7k n ASN 58 N 4.90 -2.74 -0.21 3.32 3.02 -1.14 0.22 115.26 122.63 2e7k n ASN 58 Ca -0.11 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2e7k n ASN 58 Cb 0.50 -2.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 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 -0.46 0.87 2.87 7.41 0.00 -1.26 -5.08 105.19 109.54 2e7k n GLY 59 Ca -0.10 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.60 0.01 0.03 1.61 0.74 0.13 -5.13 119.66 113.45 2e7k s GLN 60 Ca 0.00 0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.17 2e7k s GLN 60 Cb 0.00 -0.04 -0.06 0.00 1.10 0.00 0.00 33.01 34.01 2e7k s GLN 60 CO 0.00 -0.04 1.43 -1.25 -0.55 0.00 0.00 175.29 174.88 2e7k s PRO 61 N 0.22 4.28 0.41 1.67 0.04 -1.26 -1.02 135.00 139.34 2e7k s PRO 61 Ca -0.02 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.29 2e7k s PRO 61 Cb -0.03 -3.52 0.49 0.00 0.04 0.00 0.00 34.50 31.49 2e7k s PRO 61 CO -0.01 -0.57 1.66 -0.39 0.04 0.00 0.00 177.00 177.74 2e7k h VAL 62 N 4.79 0.00 -3.03 -0.36 -1.51 -1.95 -3.48 116.25 110.70 2e7k h VAL 62 Ca -0.39 -0.88 0.33 0.00 -1.23 0.00 0.00 66.70 64.53 2e7k h VAL 62 Cb 1.19 1.87 -0.08 0.00 -2.13 0.00 0.00 31.29 32.14 2e7k h VAL 62 CO 0.90 0.00 -0.43 0.61 -1.23 0.00 0.00 177.57 177.42 2e7k n GLY 63 N 1.04 -1.72 0.88 5.19 0.00 -1.26 -3.86 105.19 105.45 2e7k n GLY 63 Ca 0.04 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.06 2.44 -4.25 1.61 3.41 -1.26 -4.69 113.62 106.81 2e7k n SER 64 Ca 0.01 -2.25 -0.43 0.00 -0.26 0.00 0.00 58.87 55.94 2e7k n SER 64 Cb 0.55 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.53 6.13 0.24 4.04 1.01 -1.25 -4.90 116.67 121.41 2e7k s ASP 65 Ca 0.21 -2.38 0.02 0.00 0.71 0.00 0.00 52.55 51.10 2e7k s ASP 65 Cb 0.14 -2.10 0.29 0.00 1.01 0.00 0.00 42.92 42.26 2e7k s ASP 65 CO 0.09 -0.61 1.61 1.55 0.21 0.00 0.00 175.17 178.02 2e7k h PRO 66 N 7.99 0.42 0.00 8.23 0.13 -1.85 -2.53 132.00 144.39 2e7k h PRO 66 Ca -0.06 -0.22 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 2e7k h PRO 66 Cb 1.04 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2e7k h PRO 66 CO 0.82 0.78 -0.18 0.00 -0.23 0.00 0.00 178.00 179.19 2e7k h ARG 67 N 0.34 0.00 0.00 0.86 3.08 -1.91 -2.70 114.38 114.05 2e7k h ARG 67 Ca 0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 2e7k h ARG 67 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 2e7k h ARG 67 CO 0.08 0.18 -1.31 0.00 -1.07 0.00 0.00 179.97 177.85 2e7k h ALA 68 N 1.82 0.63 0.27 0.04 0.00 -1.89 -3.36 119.26 116.76 2e7k h ALA 68 Ca -0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 2e7k h ALA 68 Cb 0.59 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2e7k h ALA 68 CO 0.02 1.23 -0.13 1.25 0.00 0.00 0.00 179.25 181.62 2e7k h LEU 69 N 0.00 -0.31 -1.52 0.00 5.85 -1.16 -2.52 115.31 115.66 2e7k h LEU 69 Ca -0.15 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2e7k h LEU 69 Cb 1.77 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2e7k h LEU 69 CO 0.08 0.12 0.47 1.56 -0.34 0.00 0.00 178.44 180.34 2e7k h GLN 70 N -0.81 0.00 0.04 1.25 4.20 -1.66 0.63 115.11 118.77 2e7k h GLN 70 Ca -0.04 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.37 2e7k h GLN 70 Cb 0.51 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2e7k h GLN 70 CO 0.06 0.00 -1.68 1.49 -0.67 0.00 0.00 178.83 178.03 2e7k h GLU 71 N 0.00 0.09 -0.85 1.46 4.81 -1.65 -3.29 114.58 115.16 2e7k h GLU 71 Ca 0.00 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2e7k h GLU 71 Cb 0.95 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 2e7k h GLU 71 CO 0.00 0.78 0.56 1.37 -0.73 0.00 0.00 179.01 180.99 2e7k h LEU 72 N 0.03 0.97 -0.31 1.64 8.10 0.71 -2.71 115.31 123.73 2e7k h LEU 72 Ca -0.28 -0.02 -0.06 0.00 0.11 0.00 0.00 57.88 57.62 2e7k h LEU 72 Cb 2.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 41.97 2e7k h LEU 72 CO 0.10 0.70 -0.05 -0.07 -4.11 0.00 0.00 178.44 175.01 2e7k h LEU 73 N 1.14 0.58 -1.73 0.17 3.38 -1.66 -2.89 115.31 114.31 2e7k h LEU 73 Ca 0.31 -0.35 0.41 0.00 0.09 0.00 0.00 57.88 58.35 2e7k h LEU 73 Cb -0.12 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.38 2e7k h LEU 73 CO -0.07 0.79 0.96 -0.09 0.09 0.00 0.00 178.44 180.12 2e7k h ARG 74 N 0.36 0.08 -0.92 1.13 2.43 -1.54 0.85 114.38 116.77 2e7k h ARG 74 Ca 0.08 -0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.62 2e7k h ARG 74 Cb 0.52 -0.02 -0.35 0.00 -0.42 0.00 0.00 29.97 29.70 2e7k h ARG 74 CO 0.03 0.05 0.13 0.09 -1.51 0.00 0.00 179.97 178.76 2e7k n ASN 75 N -4.34 6.48 -3.84 -3.80 3.02 -1.09 -0.75 115.26 110.94 2e7k n ASN 75 Ca 0.34 -3.77 -0.30 0.00 -0.03 0.00 0.00 54.58 50.81 2e7k n ASN 75 Cb 1.43 -0.70 -0.14 0.00 -0.61 0.00 0.00 39.78 39.77 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 -3.73 2.61 -0.05 5.41 0.00 0.29 -4.98 121.76 121.30 2e7k s ALA 76 Ca 0.59 -2.75 -0.15 0.00 0.00 0.00 0.00 51.96 49.65 2e7k s ALA 76 Cb 0.46 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 2e7k s ALA 76 CO 0.00 -1.96 0.40 0.45 0.00 0.00 0.00 175.76 174.65 2e7k s SER 77 N 0.31 6.72 0.00 0.00 0.15 -1.26 -4.57 113.70 115.05 2e7k s SER 77 Ca 0.16 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2e7k s SER 77 Cb -0.24 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2e7k s SER 77 CO -0.03 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2e7k n GLY 78 N 2.40 -0.98 3.55 9.45 0.00 -1.20 -4.89 105.19 113.51 2e7k n GLY 78 Ca -0.12 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 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 5.51 0.09 1.61 0.01 -1.26 -4.28 113.70 111.38 2e7k s SER 79 Ca 0.00 0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.27 2e7k s SER 79 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2e7k s SER 79 CO 0.00 -2.23 0.48 -0.69 0.41 0.00 0.00 173.24 171.21 2e7k s VAL 80 N 8.18 4.94 0.00 3.43 1.01 -1.10 -4.89 120.40 131.98 2e7k s VAL 80 Ca 0.59 0.78 0.05 0.00 0.00 0.00 0.00 61.98 63.39 2e7k s VAL 80 Cb -0.11 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2e7k s VAL 80 CO 0.19 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 174.91 2e7k s ILE 81 N -1.32 3.20 -0.10 2.22 -1.09 -1.26 -1.71 121.20 121.15 2e7k s ILE 81 Ca 0.32 -0.90 -0.03 0.00 -2.23 0.00 0.00 60.65 57.82 2e7k s ILE 81 Cb -0.16 -2.34 0.04 0.00 -1.58 0.00 0.00 42.46 38.42 2e7k s ILE 81 CO 0.18 0.43 0.05 -0.76 -1.23 0.00 0.00 174.94 173.60 2e7k s LEU 82 N -1.23 0.45 -0.63 2.97 1.43 -1.01 -2.88 118.68 117.77 2e7k s LEU 82 Ca 0.15 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.78 2e7k s LEU 82 Cb -0.11 -0.31 0.05 0.00 0.03 0.00 0.00 46.19 45.86 2e7k s LEU 82 CO 0.05 -0.26 1.01 -0.75 0.23 0.00 0.00 176.35 176.63 2e7k s LYS 83 N 2.07 3.21 0.18 1.70 2.20 -0.82 -1.70 119.74 126.57 2e7k s LYS 83 Ca 0.04 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 2e7k s LYS 83 Cb -0.14 -4.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.00 2e7k s LYS 83 CO -0.06 -1.75 0.30 0.42 -0.36 0.00 0.00 175.35 173.91 2e7k s ILE 84 N 4.30 5.27 0.05 5.43 -1.09 -1.00 -2.09 121.20 132.07 2e7k s ILE 84 Ca 0.27 -0.81 -0.08 0.00 -2.23 0.00 0.00 60.65 57.81 2e7k s ILE 84 Cb -0.14 -3.76 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2e7k s ILE 84 CO 0.14 -0.17 0.15 -0.76 -1.23 0.00 0.00 174.94 173.07 2e7k s LEU 85 N -3.48 1.58 0.00 2.97 1.02 0.13 -2.02 118.68 118.88 2e7k s LEU 85 Ca 0.34 -0.52 -0.09 0.00 0.02 0.00 0.00 54.13 53.88 2e7k s LEU 85 Cb -0.10 0.82 0.12 0.00 0.02 0.00 0.00 46.19 47.05 2e7k s LEU 85 CO 0.28 -0.58 0.71 -1.54 0.02 0.00 0.00 176.35 175.24 2e7k n SER 86 N 0.51 0.06 0.00 2.29 3.41 -1.26 -2.21 113.62 116.42 2e7k n SER 86 Ca -0.18 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 2e7k n SER 86 Cb 0.60 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2e7k n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e7k n GLY 87 N 0.37 -0.60 0.12 5.00 0.00 -1.26 -4.84 105.19 103.98 2e7k n GLY 87 Ca 0.09 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2e7k n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7k n PRO 88 N 0.00 0.18 -1.28 1.61 -0.04 -1.26 -4.81 135.00 129.39 2e7k n PRO 88 Ca 0.00 0.41 -0.45 0.00 -0.04 0.00 0.00 63.50 63.42 2e7k n PRO 88 Cb 0.00 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 31.50 2e7k n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2e7k n SER 89 N -2.17 0.44 -4.70 3.54 7.64 -1.26 -4.80 113.62 112.31 2e7k n SER 89 Ca 0.02 0.36 -0.40 0.00 1.01 0.00 0.00 58.87 59.86 2e7k n SER 89 Cb 0.22 -0.84 0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2e7k n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e7k n SER 90 N 8.51 2.30 0.00 6.43 2.88 -1.26 -5.06 113.62 127.42 2e7k n SER 90 Ca 0.56 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 59.12 2e7k n SER 90 Cb 0.00 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 2e7k n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42