#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h45 n PRO 2 N 0.00 1.03 0.00 1.61 -0.04 -1.26 -4.78 135.00 131.56 2h45 n PRO 2 Ca 0.00 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2h45 n PRO 2 Cb 0.00 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2h45 n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2h45 n LEU 3 N -1.21 0.13 -4.72 1.53 7.99 -1.26 -4.79 117.00 114.67 2h45 n LEU 3 Ca 0.14 -0.07 -0.43 0.00 -0.01 0.00 0.00 56.01 55.65 2h45 n LEU 3 Cb 0.47 -0.07 -0.01 0.00 -0.11 0.00 0.00 43.42 43.70 2h45 n LEU 3 CO 0.49 0.03 1.09 0.61 -1.51 0.00 0.00 177.39 178.10 2h45 n GLY 4 N 0.15 0.99 0.22 -0.72 0.00 -1.26 -4.88 105.19 99.70 2h45 n GLY 4 Ca 0.00 0.42 0.14 0.00 0.00 0.00 0.00 46.02 46.58 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h45 n SER 5 N 1.61 0.78 -3.64 1.61 3.41 -1.26 -4.93 113.62 111.20 2h45 n SER 5 Ca 0.07 -0.96 -0.19 0.00 -0.26 0.00 0.00 58.87 57.54 2h45 n SER 5 Cb 0.35 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2h45 n SER 5 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2h45 n HIS 6 N -0.58 -0.62 -0.77 7.33 8.25 -1.26 -4.42 115.22 123.14 2h45 n HIS 6 Ca 0.17 0.15 -0.25 0.00 -0.26 0.00 0.00 57.72 57.53 2h45 n HIS 6 Cb 0.28 -1.31 -0.07 0.00 1.12 0.00 0.00 29.99 30.01 2h45 n HIS 6 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2h45 n LEU 7 N -2.81 0.21 -0.52 2.41 -0.00 -1.26 -4.24 117.00 110.80 2h45 n LEU 7 Ca -0.10 -1.24 0.05 0.00 -0.00 0.00 0.00 56.01 54.72 2h45 n LEU 7 Cb 0.30 -0.43 0.10 0.00 -0.00 0.00 0.00 43.42 43.38 2h45 n LEU 7 CO 0.38 -1.78 0.53 1.33 -0.00 0.00 0.00 177.39 177.85 2h45 n VAL 8 N 5.87 0.56 0.00 1.47 0.24 -1.26 -5.04 118.33 120.17 2h45 n VAL 8 Ca 0.29 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 2h45 n VAL 8 Cb 0.37 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h45 n ALA 9 N 0.51 0.00 -2.16 2.33 0.00 -1.26 -4.53 120.51 115.41 2h45 n ALA 9 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 2h45 n ALA 9 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.81 2h45 n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2h45 s THR 10 N 0.00 2.30 0.00 0.00 -1.32 -1.26 -5.12 115.64 110.24 2h45 s THR 10 Ca 0.00 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 2h45 s THR 10 Cb 0.00 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 2h45 s THR 10 CO 0.00 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.87 2h45 n SER 11 N -1.90 -0.69 -0.16 8.08 3.41 -1.26 -4.81 113.62 116.29 2h45 n SER 11 Ca 0.08 -0.01 0.06 0.00 -0.26 0.00 0.00 58.87 58.74 2h45 n SER 11 Cb 0.62 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.93 2h45 n SER 11 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2h45 h GLU 12 N 0.00 0.71 0.00 4.33 5.08 -2.00 -3.44 114.58 119.26 2h45 h GLU 12 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2h45 h GLU 12 Cb 0.00 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2h45 h GLU 12 CO 0.00 0.47 0.00 -1.13 -1.00 0.00 0.00 179.01 177.35 2h45 n SER 13 N -4.47 0.00 -4.56 1.42 3.41 -1.26 -4.84 113.62 103.31 2h45 n SER 13 Ca 0.10 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.37 2h45 n SER 13 Cb 0.21 -0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 2h45 n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2h45 s VAL 14 N -0.06 4.16 -0.14 -3.33 1.01 -1.26 -4.75 120.40 116.04 2h45 s VAL 14 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2h45 s VAL 14 Cb 0.00 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 2h45 s VAL 14 CO 0.00 0.51 -0.15 0.41 0.00 0.00 0.00 175.10 175.87 2h45 n THR 15 N 3.24 0.79 -2.30 3.92 -1.04 -1.26 -4.85 114.28 112.78 2h45 n THR 15 Ca -0.17 -0.26 -0.35 0.00 -2.04 0.00 0.00 64.05 61.22 2h45 n THR 15 Cb 0.53 -1.25 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 2h45 n THR 15 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2h45 s GLU 16 N -2.27 3.02 -0.03 -2.82 8.01 -1.26 -4.60 118.70 118.75 2h45 s GLU 16 Ca -0.19 -0.47 0.07 0.00 0.01 0.00 0.00 54.97 54.39 2h45 s GLU 16 Cb 0.06 -4.97 -0.11 0.00 -4.31 0.00 0.00 34.13 24.80 2h45 s GLU 16 CO 0.29 -2.71 0.13 -0.89 0.01 0.00 0.00 175.26 172.09 2h45 n ILE 17 N 7.24 0.14 0.00 -1.63 5.41 -1.26 -2.41 119.36 126.86 2h45 n ILE 17 Ca 0.30 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2h45 n ILE 17 Cb 0.49 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2h45 n ILE 17 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2h45 n THR 18 N -1.92 0.00 0.82 1.39 -2.24 -1.26 0.46 114.28 111.53 2h45 n THR 18 Ca -0.04 0.91 -0.01 0.00 -2.27 0.00 0.00 64.05 62.63 2h45 n THR 18 Cb 0.36 -1.23 0.02 0.00 -2.10 0.00 0.00 70.33 67.38 2h45 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 n ALA 19 N -2.40 2.72 -1.70 6.98 0.00 -1.26 -4.74 120.51 120.10 2h45 n ALA 19 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 2h45 n ALA 19 Cb 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 2h45 n ALA 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2h45 n SER 20 N 0.25 -5.46 -4.22 0.00 3.41 1.61 -1.59 113.62 107.62 2h45 n SER 20 Ca 0.04 0.42 -0.29 0.00 -0.26 0.00 0.00 58.87 58.79 2h45 n SER 20 Cb 0.51 -4.69 0.27 0.00 -0.26 0.00 0.00 64.21 60.03 2h45 n SER 20 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2h45 s SER 21 N -2.69 0.33 0.03 4.04 1.04 -1.01 -4.56 113.70 110.87 2h45 s SER 21 Ca 0.00 1.32 0.02 0.00 0.48 0.00 0.00 55.95 57.77 2h45 s SER 21 Cb 0.00 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 2h45 s SER 21 CO 0.00 -4.57 -0.07 -0.36 0.98 0.00 0.00 173.24 169.21 2h45 s PHE 22 N -2.40 0.64 -0.35 5.02 0.08 -0.99 -4.32 117.98 115.65 2h45 s PHE 22 Ca 0.69 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.41 2h45 s PHE 22 Cb -0.22 -0.39 0.09 0.00 -0.57 0.00 0.00 43.02 41.93 2h45 s PHE 22 CO 0.63 -0.05 0.07 0.08 -0.10 0.00 0.00 175.22 175.86 2h45 s VAL 23 N -0.88 2.66 -0.12 -0.44 1.01 -1.26 -0.47 120.40 120.90 2h45 s VAL 23 Ca -0.05 -2.07 -0.02 0.00 0.00 0.00 0.00 61.98 59.84 2h45 s VAL 23 Cb -0.07 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2h45 s VAL 23 CO 0.00 -0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 173.87 2h45 s VAL 24 N 1.04 3.97 0.11 2.92 1.01 -0.88 -4.63 120.40 123.93 2h45 s VAL 24 Ca 0.06 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.76 2h45 s VAL 24 Cb -0.20 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2h45 s VAL 24 CO -0.06 0.55 -0.18 -0.94 0.00 0.00 0.00 175.10 174.47 2h45 s SER 25 N -0.24 2.34 0.16 3.32 1.04 -1.26 -1.43 113.70 117.64 2h45 s SER 25 Ca 0.04 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2h45 s SER 25 Cb -0.13 -0.12 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 2h45 s SER 25 CO 0.02 -0.01 0.19 -2.67 0.98 0.00 0.00 173.24 171.75 2h45 n TRP 26 N 0.89 -0.66 -4.79 5.02 2.14 -0.05 -4.99 117.44 115.00 2h45 n TRP 26 Ca -0.18 -1.24 -0.30 0.00 2.07 0.00 0.00 57.50 57.85 2h45 n TRP 26 Cb 0.55 0.20 -0.17 0.00 -0.81 0.00 0.00 31.31 31.08 2h45 n TRP 26 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2h45 s VAL 27 N -2.63 1.76 0.02 -1.67 1.01 -1.26 -4.76 120.40 112.87 2h45 s VAL 27 Ca 0.16 -0.82 -0.38 0.00 0.00 0.00 0.00 61.98 60.94 2h45 s VAL 27 Cb 0.00 -1.56 -0.18 0.00 0.00 0.00 0.00 36.38 34.64 2h45 s VAL 27 CO 0.12 0.49 1.30 -1.20 0.00 0.00 0.00 175.10 175.81 2h45 n SER 28 N 3.87 1.21 -1.19 3.32 7.64 -1.26 -4.85 113.62 122.36 2h45 n SER 28 Ca -0.20 1.13 -0.04 0.00 1.01 0.00 0.00 58.87 60.77 2h45 n SER 28 Cb 0.52 -1.10 0.21 0.00 -1.01 0.00 0.00 64.21 62.83 2h45 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h45 n ALA 29 N 2.46 4.19 0.00 -0.43 0.00 -1.26 -4.62 120.51 120.86 2h45 n ALA 29 Ca 0.20 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.64 2h45 n ALA 29 Cb 0.15 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2h45 n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h45 n SER 30 N -1.03 0.00 0.00 0.00 7.64 -1.26 -5.00 113.62 113.96 2h45 n SER 30 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2h45 n SER 30 Cb 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 2h45 n SER 30 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2h45 n ASP 31 N -0.13 0.00 0.00 6.43 8.00 -1.26 -4.21 116.55 125.39 2h45 n ASP 31 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2h45 n ASP 31 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.42 2h45 n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2h45 n THR 32 N 0.00 0.00 -1.77 -3.53 -2.24 -1.26 -4.81 114.28 100.66 2h45 n THR 32 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2h45 n THR 32 Cb 0.00 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 2h45 n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2h45 s VAL 33 N -2.00 2.01 -0.51 2.28 0.11 -1.26 -3.19 120.40 117.84 2h45 s VAL 33 Ca 0.16 0.01 0.23 0.00 -2.93 0.00 0.00 61.98 59.45 2h45 s VAL 33 Cb 0.07 -3.01 -0.13 0.00 -1.53 0.00 0.00 36.38 31.79 2h45 s VAL 33 CO 0.12 0.00 0.96 -1.20 -3.33 0.00 0.00 175.10 171.66 2h45 n SER 34 N 1.11 0.58 0.00 3.54 7.64 1.29 -4.59 113.62 123.19 2h45 n SER 34 Ca 0.04 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2h45 n SER 34 Cb 0.38 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 2h45 n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h45 n GLY 35 N 1.34 -0.53 3.31 0.23 0.00 -1.13 -3.19 105.19 105.22 2h45 n GLY 35 Ca 0.01 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 2h45 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h45 s PHE 36 N -2.00 1.87 -0.07 1.61 0.08 0.51 0.33 117.98 120.31 2h45 s PHE 36 Ca 0.00 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.63 2h45 s PHE 36 Cb 0.00 -1.00 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 2h45 s PHE 36 CO 0.00 0.26 -0.06 0.50 -0.10 0.00 0.00 175.22 175.82 2h45 s ARG 37 N -2.18 1.21 -0.12 0.44 3.52 0.12 0.50 118.95 122.45 2h45 s ARG 37 Ca 0.10 -0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 2h45 s ARG 37 Cb -0.09 -1.22 -0.03 0.00 -1.56 0.00 0.00 34.95 32.05 2h45 s ARG 37 CO 0.05 -0.15 -0.07 0.08 -0.81 0.00 0.00 175.30 174.40 2h45 s VAL 38 N 1.29 3.62 -0.07 7.11 1.01 0.62 -0.46 120.40 133.51 2h45 s VAL 38 Ca -0.04 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2h45 s VAL 38 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2h45 s VAL 38 CO -0.03 0.54 -0.19 -0.70 0.00 0.00 0.00 175.10 174.72 2h45 s GLU 39 N -0.07 2.29 -0.01 2.72 2.12 -0.59 -0.37 118.70 124.80 2h45 s GLU 39 Ca 0.00 -0.69 -0.00 0.00 0.36 0.00 0.00 54.97 54.64 2h45 s GLU 39 Cb -0.13 -1.85 0.01 0.00 0.26 0.00 0.00 34.13 32.42 2h45 s GLU 39 CO 0.03 0.19 0.01 1.52 -0.54 0.00 0.00 175.26 176.47 2h45 s TYR 40 N 0.26 0.01 0.11 5.30 1.13 -0.94 -1.67 117.35 121.55 2h45 s TYR 40 Ca -0.11 0.05 -0.08 0.00 -1.41 0.00 0.00 57.07 55.52 2h45 s TYR 40 Cb -0.15 -0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 2h45 s TYR 40 CO 0.05 -0.03 0.21 -1.83 -2.51 0.00 0.00 175.55 171.43 2h45 s GLU 41 N 0.41 0.93 -0.05 -3.49 -1.05 -1.16 -2.35 118.70 111.94 2h45 s GLU 41 Ca -0.03 -1.05 -0.30 0.00 -0.15 0.00 0.00 54.97 53.44 2h45 s GLU 41 Cb -0.05 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2h45 s GLU 41 CO -0.01 -0.31 1.22 -0.51 0.95 0.00 0.00 175.26 176.60 2h45 s LEU 42 N -2.90 4.28 0.50 1.83 1.43 -1.26 -1.09 118.68 121.46 2h45 s LEU 42 Ca 0.09 1.84 0.32 0.00 -1.03 0.00 0.00 54.13 55.36 2h45 s LEU 42 Cb 0.05 -3.56 1.35 0.00 0.03 0.00 0.00 46.19 44.06 2h45 s LEU 42 CO -0.07 -0.60 1.95 0.77 0.23 0.00 0.00 176.35 178.63 2h45 h SER 43 N 7.50 0.00 0.00 2.29 4.64 -0.79 -1.29 113.55 125.91 2h45 h SER 43 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2h45 h SER 43 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2h45 h SER 43 CO 0.88 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.22 2h45 n GLU 44 N -2.92 0.00 -0.10 4.77 -0.58 -1.26 -4.57 120.64 115.99 2h45 n GLU 44 Ca 0.01 0.10 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 2h45 n GLU 44 Cb 0.28 -0.47 0.44 0.00 -0.57 0.00 0.00 31.44 31.11 2h45 n GLU 44 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2h45 h GLU 45 N 0.00 0.54 -2.27 3.49 5.08 -1.93 -3.46 114.58 116.03 2h45 h GLU 45 Ca 0.00 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 2h45 h GLU 45 Cb 0.00 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.15 2h45 h GLU 45 CO 0.00 0.35 -0.29 0.41 -1.00 0.00 0.00 179.01 178.48 2h45 n GLY 46 N -1.49 0.06 1.70 -3.84 0.00 -0.48 -5.01 105.19 96.13 2h45 n GLY 46 Ca 0.09 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 2h45 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2h45 n ASP 47 N -0.27 -3.01 -4.74 1.61 5.68 -1.26 -4.89 116.55 109.66 2h45 n ASP 47 Ca -0.07 -0.43 -0.41 0.00 -0.50 0.00 0.00 54.79 53.38 2h45 n ASP 47 Cb 0.57 -0.51 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2h45 s GLU 48 N -3.85 4.47 0.47 0.11 1.03 -1.26 -4.71 118.70 114.96 2h45 s GLU 48 Ca 0.33 1.95 -0.23 0.00 0.03 0.00 0.00 54.97 57.05 2h45 s GLU 48 Cb -0.06 -3.21 -0.07 0.00 -0.80 0.00 0.00 34.13 30.00 2h45 s GLU 48 CO 0.28 -0.10 1.19 -1.25 -1.33 0.00 0.00 175.26 174.05 2h45 s PRO 49 N -0.50 3.65 0.02 -4.83 0.04 -1.26 -4.86 135.00 127.26 2h45 s PRO 49 Ca 0.52 1.84 0.05 0.00 0.04 0.00 0.00 61.00 63.46 2h45 s PRO 49 Cb -0.34 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 2h45 s PRO 49 CO 0.39 -0.66 -0.14 -0.65 0.04 0.00 0.00 177.00 175.98 2h45 s GLN 50 N -2.74 2.28 -0.01 4.56 -0.21 -0.99 -4.97 119.66 117.58 2h45 s GLN 50 Ca 0.65 -0.86 0.08 0.00 0.02 0.00 0.00 55.36 55.25 2h45 s GLN 50 Cb -0.30 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.38 2h45 s GLN 50 CO 0.37 0.57 -0.25 0.71 -2.12 0.00 0.00 175.29 174.57 2h45 s TYR 51 N -0.91 2.22 -0.09 0.91 2.02 -1.26 -2.23 117.35 118.01 2h45 s TYR 51 Ca 0.15 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2h45 s TYR 51 Cb -0.11 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2h45 s TYR 51 CO 0.05 -0.03 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.34 2h45 s LEU 52 N -0.63 1.75 -0.18 -1.29 1.43 0.51 -4.95 118.68 115.32 2h45 s LEU 52 Ca 0.10 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2h45 s LEU 52 Cb -0.10 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 2h45 s LEU 52 CO -0.01 0.05 0.07 -1.81 0.23 0.00 0.00 176.35 174.88 2h45 s ASP 53 N 0.74 5.73 0.12 2.29 1.01 -1.26 -0.27 116.67 125.03 2h45 s ASP 53 Ca -0.12 0.12 0.06 0.00 0.71 0.00 0.00 52.55 53.32 2h45 s ASP 53 Cb -0.16 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 2h45 s ASP 53 CO 0.03 0.19 -0.14 -0.76 0.21 0.00 0.00 175.17 174.70 2h45 s LEU 54 N 0.26 2.40 0.72 1.23 1.43 0.18 -4.96 118.68 119.95 2h45 s LEU 54 Ca 0.05 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 2h45 s LEU 54 Cb -0.12 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.61 2h45 s LEU 54 CO -0.00 -0.15 1.10 -2.16 0.23 0.00 0.00 176.35 175.37 2h45 s PRO 55 N -2.65 2.47 0.31 1.29 0.04 -1.26 0.19 135.00 135.40 2h45 s PRO 55 Ca 0.08 1.28 0.19 0.00 0.04 0.00 0.00 61.00 62.59 2h45 s PRO 55 Cb -0.05 -1.92 1.03 0.00 0.04 0.00 0.00 34.50 33.61 2h45 s PRO 55 CO 0.03 -1.49 1.56 -1.13 0.04 0.00 0.00 177.00 176.00 2h45 n SER 56 N -3.04 0.49 -0.02 6.66 3.41 -1.19 0.75 113.62 120.69 2h45 n SER 56 Ca 0.10 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 2h45 n SER 56 Cb 0.52 -0.75 0.27 0.00 -0.26 0.00 0.00 64.21 64.00 2h45 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h45 n THR 57 N -2.18 0.00 -2.85 6.66 -2.24 -1.26 -4.85 114.28 107.55 2h45 n THR 57 Ca -0.01 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 2h45 n THR 57 Cb 0.10 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 2h45 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 s ALA 58 N -2.97 3.26 -0.02 6.98 0.00 0.23 -4.92 121.76 124.32 2h45 s ALA 58 Ca 0.12 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.51 2h45 s ALA 58 Cb 0.18 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.19 2h45 s ALA 58 CO 0.68 -0.09 0.87 0.25 0.00 0.00 0.00 175.76 177.47 2h45 n THR 59 N 3.40 0.66 -3.58 0.00 -2.24 -1.26 -4.87 114.28 106.39 2h45 n THR 59 Ca 0.02 -0.73 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 2h45 n THR 59 Cb 0.51 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 2h45 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2h45 s SER 60 N -1.03 -0.57 -0.06 3.42 1.04 -1.26 -0.87 113.70 114.37 2h45 s SER 60 Ca 0.06 0.83 -0.13 0.00 0.48 0.00 0.00 55.95 57.19 2h45 s SER 60 Cb 0.05 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.94 2h45 s SER 60 CO 0.01 -0.38 0.31 0.54 0.98 0.00 0.00 173.24 174.69 2h45 s VAL 61 N -0.58 0.03 -0.22 5.02 0.11 -0.51 -5.00 120.40 119.25 2h45 s VAL 61 Ca -0.04 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 2h45 s VAL 61 Cb -0.02 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2h45 s VAL 61 CO 0.03 -0.15 0.10 0.21 -3.33 0.00 0.00 175.10 171.96 2h45 s ASN 62 N -0.68 5.65 -0.45 3.54 3.04 -1.26 -2.07 114.94 122.72 2h45 s ASN 62 Ca -0.08 0.00 -0.17 0.00 0.04 0.00 0.00 52.86 52.66 2h45 s ASN 62 Cb -0.04 -2.00 0.04 0.00 -1.54 0.00 0.00 41.25 37.71 2h45 s ASN 62 CO 0.02 0.07 0.43 -0.63 -3.04 0.00 0.00 177.10 173.96 2h45 s ILE 63 N 1.00 5.13 0.76 -5.21 1.01 0.39 -4.92 121.20 119.36 2h45 s ILE 63 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2h45 s ILE 63 Cb -0.14 -4.09 0.14 0.00 0.01 0.00 0.00 42.46 38.37 2h45 s ILE 63 CO 0.03 -0.52 1.05 -2.16 0.00 0.00 0.00 174.94 173.35 2h45 s PRO 64 N 1.97 1.52 -1.41 2.79 0.04 -1.26 -2.35 135.00 136.31 2h45 s PRO 64 Ca 0.09 -0.92 -0.07 0.00 0.04 0.00 0.00 61.00 60.13 2h45 s PRO 64 Cb -0.20 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.12 2h45 s PRO 64 CO 0.10 -1.61 0.95 -0.25 0.04 0.00 0.00 177.00 176.23 2h45 n ASP 65 N -3.01 -6.22 -4.86 6.66 8.00 -1.26 -4.95 116.55 110.91 2h45 n ASP 65 Ca 0.14 -0.43 -0.33 0.00 0.71 0.00 0.00 54.79 54.88 2h45 n ASP 65 Cb 0.60 -4.92 -0.06 0.00 -0.02 0.00 0.00 41.12 36.73 2h45 n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2h45 s LEU 66 N -6.94 4.25 -0.37 0.64 1.43 -0.62 -5.05 118.68 112.02 2h45 s LEU 66 Ca 0.47 0.97 -0.22 0.00 -1.03 0.00 0.00 54.13 54.32 2h45 s LEU 66 Cb -0.21 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2h45 s LEU 66 CO 0.58 0.01 0.71 -0.76 0.23 0.00 0.00 176.35 177.13 2h45 s LEU 67 N -2.43 4.20 0.26 1.79 1.43 -1.26 -4.25 118.68 118.43 2h45 s LEU 67 Ca 0.43 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 2h45 s LEU 67 Cb -0.13 -2.91 -0.13 0.00 0.03 0.00 0.00 46.19 43.05 2h45 s LEU 67 CO 0.20 -0.68 1.34 -2.65 0.23 0.00 0.00 176.35 174.79 2h45 n PRO 68 N 6.26 1.97 -1.80 1.29 -0.02 -1.26 -2.13 135.00 139.30 2h45 n PRO 68 Ca 0.01 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 2h45 n PRO 68 Cb 0.48 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 2h45 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h45 n GLY 69 N 1.74 0.36 3.20 -1.23 0.00 -1.20 -4.96 105.19 103.09 2h45 n GLY 69 Ca 0.10 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2h45 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h45 s ARG 70 N -3.69 0.94 -0.20 1.61 1.81 -0.90 -4.92 118.95 113.59 2h45 s ARG 70 Ca 0.00 -0.98 -0.12 0.00 -1.72 0.00 0.00 55.73 52.91 2h45 s ARG 70 Cb 0.00 -1.02 -0.05 0.00 -0.45 0.00 0.00 34.95 33.43 2h45 s ARG 70 CO 0.00 0.23 0.21 0.21 -0.68 0.00 0.00 175.30 175.28 2h45 s LYS 71 N -1.67 4.17 0.10 3.54 2.20 -1.26 -1.42 119.74 125.39 2h45 s LYS 71 Ca 0.01 -0.10 0.10 0.00 -0.36 0.00 0.00 55.97 55.62 2h45 s LYS 71 Cb -0.10 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2h45 s LYS 71 CO 0.03 0.17 -0.25 0.71 -0.36 0.00 0.00 175.35 175.65 2h45 s TYR 72 N 0.71 2.37 -0.22 4.03 1.51 0.46 -0.04 117.35 126.17 2h45 s TYR 72 Ca 0.11 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 55.74 2h45 s TYR 72 Cb -0.13 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2h45 s TYR 72 CO 0.03 0.28 0.09 0.42 -1.11 0.00 0.00 175.55 175.25 2h45 s ILE 73 N -0.99 4.72 -0.14 2.71 1.01 -0.25 -1.60 121.20 126.66 2h45 s ILE 73 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 2h45 s ILE 73 Cb -0.10 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2h45 s ILE 73 CO 0.06 0.38 -0.08 -0.69 0.00 0.00 0.00 174.94 174.61 2h45 s VAL 74 N 1.03 3.54 -0.07 2.92 1.01 0.12 -2.99 120.40 125.97 2h45 s VAL 74 Ca 0.05 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 2h45 s VAL 74 Cb -0.14 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2h45 s VAL 74 CO 0.03 0.51 -0.03 0.20 0.00 0.00 0.00 175.10 175.82 2h45 s ASN 75 N 0.28 1.51 -0.21 3.32 0.01 -0.67 -0.49 114.94 118.70 2h45 s ASN 75 Ca -0.06 -0.14 -0.07 0.00 -0.71 0.00 0.00 52.86 51.87 2h45 s ASN 75 Cb -0.15 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 40.95 2h45 s ASN 75 CO 0.04 -0.13 0.07 -0.69 -1.51 0.00 0.00 177.10 174.88 2h45 s VAL 76 N 1.58 4.67 -0.03 1.60 1.01 0.18 -1.54 120.40 127.87 2h45 s VAL 76 Ca -0.00 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2h45 s VAL 76 Cb -0.13 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2h45 s VAL 76 CO -0.04 0.41 -0.26 -0.31 0.00 0.00 0.00 175.10 174.91 2h45 s TYR 77 N 0.80 2.37 -0.14 5.22 2.02 0.39 -0.87 117.35 127.13 2h45 s TYR 77 Ca 0.04 -0.54 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 2h45 s TYR 77 Cb -0.13 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 2h45 s TYR 77 CO 0.02 -0.10 0.09 1.14 -1.57 0.00 0.00 175.55 175.13 2h45 s GLN 78 N -0.45 3.60 -0.26 -0.62 -2.07 -0.75 0.16 119.66 119.27 2h45 s GLN 78 Ca 0.05 -0.25 -0.11 0.00 -1.82 0.00 0.00 55.36 53.23 2h45 s GLN 78 Cb -0.11 -3.15 -0.05 0.00 -1.09 0.00 0.00 33.01 28.60 2h45 s GLN 78 CO 0.01 0.57 0.21 0.42 -1.32 0.00 0.00 175.29 175.17 2h45 s ILE 79 N -0.44 5.31 0.73 3.63 1.01 0.15 -2.47 121.20 129.13 2h45 s ILE 79 Ca 0.11 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.91 2h45 s ILE 79 Cb -0.12 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.87 2h45 s ILE 79 CO 0.02 0.28 1.06 -0.94 0.00 0.00 0.00 174.94 175.36 2h45 s SER 80 N 1.43 4.79 0.65 3.58 1.04 -0.02 0.39 113.70 125.56 2h45 s SER 80 Ca 0.09 0.60 0.41 0.00 0.48 0.00 0.00 55.95 57.53 2h45 s SER 80 Cb -0.15 -1.23 2.27 0.00 0.10 0.00 0.00 66.02 67.01 2h45 s SER 80 CO 0.08 -1.66 2.33 -0.33 0.98 0.00 0.00 173.24 174.64 2h45 h GLU 81 N -0.72 0.00 -0.02 4.02 5.08 -1.88 0.21 114.58 121.26 2h45 h GLU 81 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2h45 h GLU 81 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2h45 h GLU 81 CO 0.62 0.00 -0.05 -0.40 -1.00 0.00 0.00 179.01 178.18 2h45 n ASP 82 N -3.24 1.65 0.00 1.42 5.68 -1.26 -4.92 116.55 115.89 2h45 n ASP 82 Ca -0.03 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 2h45 n ASP 82 Cb 0.09 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2h45 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h45 n GLY 83 N 1.23 0.68 3.77 6.12 0.00 0.72 -5.05 105.19 112.67 2h45 n GLY 83 Ca 0.17 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2h45 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h45 s GLU 84 N -0.50 4.64 -0.06 1.61 0.41 -1.26 -4.75 118.70 118.80 2h45 s GLU 84 Ca 0.00 1.25 0.00 0.00 -0.41 0.00 0.00 54.97 55.81 2h45 s GLU 84 Cb 0.00 -3.23 -0.03 0.00 -1.78 0.00 0.00 34.13 29.09 2h45 s GLU 84 CO 0.00 0.54 -0.03 -0.65 -0.49 0.00 0.00 175.26 174.62 2h45 s GLN 85 N -1.23 2.82 -0.02 1.61 -0.21 -1.26 -0.84 119.66 120.53 2h45 s GLN 85 Ca 0.38 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.25 2h45 s GLN 85 Cb -0.23 -2.67 0.02 0.00 1.00 0.00 0.00 33.01 31.12 2h45 s GLN 85 CO 0.28 0.67 -0.02 0.45 -2.12 0.00 0.00 175.29 174.55 2h45 s SER 86 N -1.00 0.46 -0.14 5.90 0.15 -1.03 -4.92 113.70 113.13 2h45 s SER 86 Ca 0.14 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.45 2h45 s SER 86 Cb -0.11 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.98 2h45 s SER 86 CO 0.03 -0.05 1.46 -0.22 1.20 0.00 0.00 173.24 175.67 2h45 s LEU 87 N 0.65 4.18 -0.06 3.45 2.96 -1.26 -1.81 118.68 126.79 2h45 s LEU 87 Ca -0.07 1.87 0.12 0.00 -0.22 0.00 0.00 54.13 55.83 2h45 s LEU 87 Cb -0.10 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.88 2h45 s LEU 87 CO -0.01 -0.91 0.19 2.30 -1.32 0.00 0.00 176.35 176.60 2h45 n ILE 88 N 5.60 0.34 -3.66 6.68 -5.35 -0.05 -4.98 119.36 117.94 2h45 n ILE 88 Ca 0.16 -0.38 -0.05 0.00 -0.27 0.00 0.00 62.75 62.20 2h45 n ILE 88 Cb 0.44 -0.16 -0.07 0.00 -1.74 0.00 0.00 39.64 38.11 2h45 n ILE 88 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2h45 s LEU 89 N -4.30 -0.85 -0.12 7.28 2.96 -1.20 -4.95 118.68 117.49 2h45 s LEU 89 Ca -0.05 1.28 -0.01 0.00 -0.22 0.00 0.00 54.13 55.13 2h45 s LEU 89 Cb 0.06 1.84 0.03 0.00 0.50 0.00 0.00 46.19 48.62 2h45 s LEU 89 CO 0.52 -0.22 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.73 2h45 s SER 90 N 2.59 2.23 0.03 3.68 0.15 -1.26 0.50 113.70 121.62 2h45 s SER 90 Ca -0.05 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.11 2h45 s SER 90 Cb -0.11 -0.75 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 2h45 s SER 90 CO -0.16 -0.16 0.29 0.28 1.20 0.00 0.00 173.24 174.69 2h45 s THR 91 N 1.76 0.08 0.10 6.45 -1.32 0.36 -4.99 115.64 118.08 2h45 s THR 91 Ca 0.04 -0.66 0.08 0.00 -1.21 0.00 0.00 61.69 59.94 2h45 s THR 91 Cb -0.13 -0.86 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 2h45 s THR 91 CO -0.07 -0.36 -0.17 -0.94 -2.21 0.00 0.00 174.62 170.86 2h45 s SER 92 N -1.89 3.93 0.08 8.08 1.04 -1.26 0.13 113.70 123.80 2h45 s SER 92 Ca -0.07 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.75 2h45 s SER 92 Cb -0.02 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.52 2h45 s SER 92 CO -0.02 0.19 0.21 -1.10 0.98 0.00 0.00 173.24 173.50 2h45 s GLN 93 N -2.04 0.83 -0.25 4.02 -0.21 -0.63 -4.98 119.66 116.39 2h45 s GLN 93 Ca 0.18 -0.87 0.02 0.00 0.02 0.00 0.00 55.36 54.71 2h45 s GLN 93 Cb -0.11 0.34 0.05 0.00 1.00 0.00 0.00 33.01 34.30 2h45 s GLN 93 CO 0.10 -0.26 -0.10 -0.08 -2.12 0.00 0.00 175.29 172.82 2h45 s THR 94 N -3.58 2.30 -0.63 -0.19 -1.32 -1.26 -0.40 115.64 110.56 2h45 s THR 94 Ca 0.03 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 2h45 s THR 94 Cb 0.03 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 2h45 s THR 94 CO -0.10 0.04 0.16 0.35 -2.21 0.00 0.00 174.62 172.86