#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 0.68 0.21 1.61 -0.04 -1.26 -3.58 135.00 132.62 2h45 n PRO 2 Ca 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.64 2h45 n PRO 2 Cb 0.00 -1.09 0.81 0.00 -0.04 0.00 0.00 33.50 33.18 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2h45 h LEU 3 N 0.00 0.00 -0.45 1.53 3.38 -2.09 -3.24 115.31 114.43 2h45 h LEU 3 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h45 h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2h45 h LEU 3 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2h45 n GLY 4 N -1.37 0.83 2.17 0.83 0.00 -1.25 -4.99 105.19 101.41 2h45 n GLY 4 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2h45 n SER 5 N 0.00 -0.63 -0.34 1.61 2.88 -1.23 -4.64 113.62 111.28 2h45 n SER 5 Ca 0.00 -0.21 0.12 0.00 -1.33 0.00 0.00 58.87 57.45 2h45 n SER 5 Cb 0.41 -0.57 0.32 0.00 -0.75 0.00 0.00 64.21 63.62 2h45 n SER 5 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2h45 h HIS 6 N -0.21 1.02 -3.17 0.66 3.86 -1.93 -3.47 115.15 111.91 2h45 h HIS 6 Ca -0.14 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2h45 h HIS 6 Cb 0.52 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2h45 h HIS 6 CO 0.34 0.30 0.00 1.28 0.86 0.00 0.00 177.93 180.71 2h45 n LEU 7 N -4.68 -2.05 -4.65 2.43 4.32 -1.26 -4.87 117.00 106.23 2h45 n LEU 7 Ca 0.21 0.54 -0.36 0.00 -0.02 0.00 0.00 56.01 56.38 2h45 n LEU 7 Cb 0.51 -0.85 -0.10 0.00 -1.62 0.00 0.00 43.42 41.37 2h45 n LEU 7 CO 0.25 -1.41 -0.19 -0.69 -1.22 0.00 0.00 177.39 174.13 2h45 s VAL 8 N 0.00 5.27 0.00 4.08 1.01 -1.26 -4.91 120.40 124.59 2h45 s VAL 8 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2h45 s VAL 8 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2h45 s VAL 8 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.46 2h45 n ALA 9 N 4.20 0.00 -2.72 5.51 0.00 -1.26 -5.15 120.51 121.09 2h45 n ALA 9 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 2h45 n ALA 9 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 2h45 n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2h45 s THR 10 N 0.00 5.16 0.71 0.00 2.01 -1.26 -5.07 115.64 117.20 2h45 s THR 10 Ca 0.00 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.93 2h45 s THR 10 Cb 0.00 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2h45 s THR 10 CO 0.00 0.32 1.07 -0.94 -0.69 0.00 0.00 174.62 174.38 2h45 s SER 11 N 0.64 5.26 0.25 3.53 1.04 -1.26 -4.96 113.70 118.20 2h45 s SER 11 Ca 0.28 1.43 -0.31 0.00 0.48 0.00 0.00 55.95 57.83 2h45 s SER 11 Cb -0.16 -2.29 -0.12 0.00 0.10 0.00 0.00 66.02 63.55 2h45 s SER 11 CO 0.12 -1.49 1.59 -0.62 0.98 0.00 0.00 173.24 173.82 2h45 n GLU 12 N -3.14 2.55 0.00 4.02 -0.58 -1.26 -4.89 120.64 117.34 2h45 n GLU 12 Ca 0.07 0.91 0.11 0.00 -0.42 0.00 0.00 57.16 57.83 2h45 n GLU 12 Cb 0.55 -2.69 -0.04 0.00 -0.57 0.00 0.00 31.44 28.69 2h45 n GLU 12 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2h45 n SER 13 N 2.75 1.72 0.00 1.62 7.64 -1.26 -4.15 113.62 121.95 2h45 n SER 13 Ca 0.12 -1.36 0.10 0.00 1.01 0.00 0.00 58.87 58.74 2h45 n SER 13 Cb 0.34 0.63 0.44 0.00 -1.01 0.00 0.00 64.21 64.62 2h45 n SER 13 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2h45 n VAL 14 N -0.46 0.57 0.00 0.44 0.24 -1.26 -4.36 118.33 113.51 2h45 n VAL 14 Ca 0.08 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 2h45 n VAL 14 Cb 0.42 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 2h45 n VAL 14 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2h45 n THR 15 N -1.51 0.00 0.04 3.34 5.66 -1.26 0.11 114.28 120.66 2h45 n THR 15 Ca 0.05 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.08 2h45 n THR 15 Cb 0.24 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.43 2h45 n THR 15 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2h45 h GLU 16 N 0.00 0.44 0.00 1.09 5.08 -1.93 -3.45 114.58 115.81 2h45 h GLU 16 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2h45 h GLU 16 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2h45 h GLU 16 CO 0.00 0.39 0.00 -0.89 -1.00 0.00 0.00 179.01 177.51 2h45 n ILE 17 N -4.39 0.00 0.00 3.13 5.41 0.30 -4.82 119.36 118.99 2h45 n ILE 17 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2h45 n ILE 17 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 2h45 n ILE 17 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2h45 n THR 18 N -0.32 0.00 -2.69 1.39 5.66 -1.26 0.33 114.28 117.38 2h45 n THR 18 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2h45 n THR 18 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 2h45 n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2h45 n ALA 19 N 0.00 -0.60 -1.84 1.79 0.00 -1.26 -2.08 120.51 116.51 2h45 n ALA 19 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 2h45 n ALA 19 Cb 0.00 -2.59 -0.02 0.00 0.00 0.00 0.00 19.45 16.84 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 -0.97 -2.38 -4.77 0.00 3.41 1.00 -2.17 113.62 107.74 2h45 n SER 20 Ca -0.08 0.25 -0.40 0.00 -0.26 0.00 0.00 58.87 58.38 2h45 n SER 20 Cb 0.58 -2.25 0.01 0.00 -0.26 0.00 0.00 64.21 62.30 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 -1.83 5.99 0.09 4.04 1.04 0.16 -4.52 113.70 118.67 2h45 s SER 21 Ca 0.00 2.91 -0.05 0.00 0.48 0.00 0.00 55.95 59.30 2h45 s SER 21 Cb 0.00 -2.65 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 2h45 s SER 21 CO 0.00 -1.10 0.32 -0.36 0.98 0.00 0.00 173.24 173.08 2h45 s PHE 22 N -1.20 3.51 -0.25 5.02 0.40 -0.15 -4.40 117.98 120.92 2h45 s PHE 22 Ca 0.59 0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 57.44 2h45 s PHE 22 Cb -0.44 -1.96 0.07 0.00 0.51 0.00 0.00 43.02 41.20 2h45 s PHE 22 CO 0.57 0.51 0.01 0.08 0.70 0.00 0.00 175.22 177.08 2h45 s VAL 23 N -1.53 1.25 -0.06 -0.44 1.01 -1.26 0.38 120.40 119.76 2h45 s VAL 23 Ca 0.36 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 61.18 2h45 s VAL 23 Cb -0.13 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2h45 s VAL 23 CO 0.23 -0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.11 2h45 s VAL 24 N 1.49 2.19 0.12 2.92 1.01 -1.00 -4.81 120.40 122.32 2h45 s VAL 24 Ca -0.00 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.05 2h45 s VAL 24 Cb -0.18 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2h45 s VAL 24 CO -0.11 0.57 -0.23 -0.94 0.00 0.00 0.00 175.10 174.40 2h45 s SER 25 N -0.20 2.82 0.00 3.32 1.04 -1.26 -1.93 113.70 117.49 2h45 s SER 25 Ca -0.02 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2h45 s SER 25 Cb -0.13 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2h45 s SER 25 CO 0.03 0.09 0.00 -2.67 0.98 0.00 0.00 173.24 171.67 2h45 n TRP 26 N 0.94 -0.28 -5.20 5.02 2.14 -0.45 -5.00 117.44 114.61 2h45 n TRP 26 Ca -0.18 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.08 2h45 n TRP 26 Cb 0.54 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.87 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 -2.23 1.99 0.48 -1.67 1.01 -1.26 -4.77 120.40 113.95 2h45 s VAL 27 Ca 0.00 -1.01 0.33 0.00 0.00 0.00 0.00 61.98 61.30 2h45 s VAL 27 Cb 0.00 -1.70 0.53 0.00 0.00 0.00 0.00 36.38 35.20 2h45 s VAL 27 CO 0.00 0.55 1.71 -1.28 0.00 0.00 0.00 175.10 176.08 2h45 h SER 28 N 6.39 0.17 0.00 3.32 0.87 -1.93 -3.43 113.55 118.94 2h45 h SER 28 Ca -0.26 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2h45 h SER 28 Cb 1.20 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2h45 h SER 28 CO 0.47 -0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 2h45 n ALA 29 N -2.66 0.00 0.16 6.23 0.00 -1.26 -4.32 120.51 118.66 2h45 n ALA 29 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2h45 n ALA 29 Cb 1.33 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2h45 n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2h45 n SER 30 N -0.18 -0.86 0.00 0.00 2.88 -1.26 -5.02 113.62 109.19 2h45 n SER 30 Ca 0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2h45 n SER 30 Cb 0.22 0.99 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 2h45 n SER 30 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2h45 n ASP 31 N -3.44 0.00 -0.45 -3.46 8.00 -1.26 -4.70 116.55 111.24 2h45 n ASP 31 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 2h45 n ASP 31 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.31 2h45 n ASP 31 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2h45 n THR 32 N -1.49 0.00 -1.64 -3.53 -1.04 -1.26 -4.95 114.28 100.37 2h45 n THR 32 Ca 0.00 -0.24 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 2h45 n THR 32 Cb 0.00 0.88 0.02 0.00 -1.82 0.00 0.00 70.33 69.40 2h45 n THR 32 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2h45 n VAL 33 N -0.09 2.63 0.42 12.58 3.14 -1.26 -3.76 118.33 131.99 2h45 n VAL 33 Ca 0.12 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 61.11 2h45 n VAL 33 Cb 0.43 -1.26 -0.02 0.00 -1.06 0.00 0.00 33.84 31.92 2h45 n VAL 33 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2h45 n SER 34 N 0.26 0.56 0.00 6.55 7.64 1.22 -4.60 113.62 125.26 2h45 n SER 34 Ca 0.09 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2h45 n SER 34 Cb 0.40 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 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 1.33 -0.35 3.32 0.23 0.00 -1.16 -3.48 105.19 105.08 2h45 n GLY 35 Ca 0.01 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 1.88 -0.08 1.61 0.08 0.42 0.16 117.98 120.06 2h45 s PHE 36 Ca 0.00 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 2h45 s PHE 36 Cb 0.00 -0.99 0.02 0.00 -0.57 0.00 0.00 43.02 41.49 2h45 s PHE 36 CO 0.00 0.28 -0.04 0.50 -0.10 0.00 0.00 175.22 175.86 2h45 s ARG 37 N -2.31 1.04 -0.15 0.44 3.52 0.13 0.30 118.95 121.93 2h45 s ARG 37 Ca 0.12 -0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.59 2h45 s ARG 37 Cb -0.08 -1.18 -0.03 0.00 -1.56 0.00 0.00 34.95 32.10 2h45 s ARG 37 CO 0.06 -0.22 -0.05 0.08 -0.81 0.00 0.00 175.30 174.36 2h45 s VAL 38 N 1.55 3.81 -0.09 7.11 1.01 0.10 -0.01 120.40 133.89 2h45 s VAL 38 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2h45 s VAL 38 Cb -0.13 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2h45 s VAL 38 CO -0.04 0.50 -0.19 -0.70 0.00 0.00 0.00 175.10 174.67 2h45 s GLU 39 N 0.30 2.48 -0.02 2.72 -6.30 -0.44 -0.11 118.70 117.33 2h45 s GLU 39 Ca -0.04 -0.68 -0.05 0.00 -2.50 0.00 0.00 54.97 51.70 2h45 s GLU 39 Cb -0.14 -1.93 0.00 0.00 0.00 0.00 0.00 34.13 32.06 2h45 s GLU 39 CO 0.03 0.10 0.11 1.52 0.02 0.00 0.00 175.26 177.05 2h45 s TYR 40 N 0.52 -0.03 0.21 5.30 1.13 -0.80 -1.44 117.35 122.25 2h45 s TYR 40 Ca -0.16 0.07 -0.10 0.00 -1.41 0.00 0.00 57.07 55.47 2h45 s TYR 40 Cb -0.17 -0.02 -0.01 0.00 -1.10 0.00 0.00 41.96 40.67 2h45 s TYR 40 CO 0.06 -0.16 0.36 -1.83 -2.51 0.00 0.00 175.55 171.47 2h45 s GLU 41 N -0.63 1.35 0.06 -3.49 -1.05 -1.11 -1.99 118.70 111.84 2h45 s GLU 41 Ca -0.07 -1.27 -0.31 0.00 -0.15 0.00 0.00 54.97 53.17 2h45 s GLU 41 Cb -0.04 0.41 -0.06 0.00 -0.44 0.00 0.00 34.13 34.00 2h45 s GLU 41 CO 0.01 -0.53 1.21 -0.51 0.95 0.00 0.00 175.26 176.39 2h45 s LEU 42 N -3.02 4.37 0.48 1.83 1.43 -1.26 -1.12 118.68 121.39 2h45 s LEU 42 Ca 0.23 2.03 0.31 0.00 -1.03 0.00 0.00 54.13 55.66 2h45 s LEU 42 Cb 0.02 -3.58 1.23 0.00 0.03 0.00 0.00 46.19 43.89 2h45 s LEU 42 CO 0.06 -0.49 1.91 0.77 0.23 0.00 0.00 176.35 178.83 2h45 h SER 43 N 6.84 0.00 0.00 2.29 4.64 -1.08 -1.62 113.55 124.62 2h45 h SER 43 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2h45 h SER 43 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h45 h SER 43 CO 0.82 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.16 2h45 n GLU 44 N -2.89 0.00 -0.14 4.77 -0.58 -1.26 -4.71 120.64 115.83 2h45 n GLU 44 Ca 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.74 2h45 n GLU 44 Cb 0.30 -0.24 0.24 0.00 -0.57 0.00 0.00 31.44 31.17 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 0.84 0.00 3.49 5.08 -1.92 -3.46 114.58 118.61 2h45 h GLU 45 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2h45 h GLU 45 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2h45 h GLU 45 CO 0.00 0.67 0.00 0.41 -1.00 0.00 0.00 179.01 179.09 2h45 n GLY 46 N -1.10 1.48 2.79 -3.84 0.00 -0.61 -4.97 105.19 98.95 2h45 n GLY 46 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2h45 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h45 n ASP 47 N 1.74 0.00 -4.75 1.61 2.03 -1.26 -4.01 116.55 111.91 2h45 n ASP 47 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2h45 n ASP 47 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2h45 s GLU 48 N 0.00 3.78 0.44 -0.67 -1.05 -1.26 -4.92 118.70 115.01 2h45 s GLU 48 Ca 0.00 -0.24 -0.25 0.00 -0.15 0.00 0.00 54.97 54.33 2h45 s GLU 48 Cb 0.00 -3.23 -0.08 0.00 -0.44 0.00 0.00 34.13 30.38 2h45 s GLU 48 CO 0.00 0.49 1.27 -1.25 0.95 0.00 0.00 175.26 176.72 2h45 s PRO 49 N -0.20 3.82 0.03 -4.83 0.04 -1.26 -4.87 135.00 127.72 2h45 s PRO 49 Ca 0.09 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.26 2h45 s PRO 49 Cb -0.12 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 2h45 s PRO 49 CO 0.01 -0.59 -0.19 -0.65 0.04 0.00 0.00 177.00 175.62 2h45 s GLN 50 N -2.43 2.09 -0.02 4.56 -0.21 -0.84 -4.98 119.66 117.83 2h45 s GLN 50 Ca 0.60 -0.96 0.06 0.00 0.02 0.00 0.00 55.36 55.08 2h45 s GLN 50 Cb -0.36 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 2h45 s GLN 50 CO 0.45 0.55 -0.21 0.71 -2.12 0.00 0.00 175.29 174.67 2h45 s TYR 51 N -0.87 1.91 -0.08 0.91 1.51 -1.26 -1.90 117.35 117.58 2h45 s TYR 51 Ca 0.14 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 2h45 s TYR 51 Cb -0.10 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 2h45 s TYR 51 CO 0.04 -0.06 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.78 2h45 s LEU 52 N -0.42 1.64 -0.18 -1.29 1.43 0.85 -4.94 118.68 115.78 2h45 s LEU 52 Ca 0.06 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2h45 s LEU 52 Cb -0.09 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 2h45 s LEU 52 CO -0.00 0.02 0.12 -1.81 0.23 0.00 0.00 176.35 174.90 2h45 s ASP 53 N 0.84 6.11 0.14 2.29 1.01 -1.26 0.02 116.67 125.83 2h45 s ASP 53 Ca -0.11 0.25 0.07 0.00 0.71 0.00 0.00 52.55 53.47 2h45 s ASP 53 Cb -0.15 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 2h45 s ASP 53 CO 0.01 0.23 -0.15 -0.76 0.21 0.00 0.00 175.17 174.71 2h45 s LEU 54 N 0.07 2.43 0.70 1.23 1.43 0.15 -4.94 118.68 119.75 2h45 s LEU 54 Ca 0.09 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 2h45 s LEU 54 Cb -0.11 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.50 2h45 s LEU 54 CO -0.00 -0.12 1.12 -2.16 0.23 0.00 0.00 176.35 175.41 2h45 s PRO 55 N -2.84 2.53 0.17 1.29 0.04 -1.26 0.16 135.00 135.10 2h45 s PRO 55 Ca 0.12 1.41 0.10 0.00 0.04 0.00 0.00 61.00 62.67 2h45 s PRO 55 Cb -0.04 -1.91 0.53 0.00 0.04 0.00 0.00 34.50 33.11 2h45 s PRO 55 CO 0.04 -1.46 1.24 -1.13 0.04 0.00 0.00 177.00 175.73 2h45 n SER 56 N -2.73 0.25 -0.08 6.66 3.41 -1.23 0.59 113.62 120.49 2h45 n SER 56 Ca 0.11 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2h45 n SER 56 Cb 0.52 -0.57 0.22 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.82 0.00 -2.90 6.66 -2.24 -1.26 -4.88 114.28 107.84 2h45 n THR 57 Ca -0.01 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 2h45 n THR 57 Cb 0.12 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.87 3.29 -0.01 6.98 0.00 0.20 -4.92 121.76 124.43 2h45 s ALA 58 Ca 0.14 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.45 2h45 s ALA 58 Cb 0.18 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.21 2h45 s ALA 58 CO 0.68 -0.07 0.83 0.25 0.00 0.00 0.00 175.76 177.44 2h45 n THR 59 N 3.37 0.64 -3.58 0.00 -2.24 -1.26 -4.88 114.28 106.32 2h45 n THR 59 Ca 0.01 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 60.98 2h45 n THR 59 Cb 0.51 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.77 -0.55 -0.06 3.42 1.04 -1.26 -1.34 113.70 114.17 2h45 s SER 60 Ca 0.02 0.81 -0.13 0.00 0.48 0.00 0.00 55.95 57.13 2h45 s SER 60 Cb 0.02 0.73 0.03 0.00 0.10 0.00 0.00 66.02 66.90 2h45 s SER 60 CO 0.00 -0.37 0.31 0.54 0.98 0.00 0.00 173.24 174.71 2h45 s VAL 61 N -0.55 0.03 -0.20 5.02 0.11 -0.81 -5.01 120.40 118.99 2h45 s VAL 61 Ca -0.03 -0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 58.67 2h45 s VAL 61 Cb -0.02 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2h45 s VAL 61 CO 0.02 -0.15 0.06 0.21 -3.33 0.00 0.00 175.10 171.92 2h45 s ASN 62 N -0.66 5.52 -0.46 3.54 3.84 -1.26 -2.37 114.94 123.09 2h45 s ASN 62 Ca -0.08 0.02 -0.16 0.00 0.21 0.00 0.00 52.86 52.86 2h45 s ASN 62 Cb -0.04 -1.95 0.06 0.00 -0.55 0.00 0.00 41.25 38.77 2h45 s ASN 62 CO 0.02 0.13 0.39 -0.63 -2.79 0.00 0.00 177.10 174.22 2h45 s ILE 63 N 0.64 5.23 0.84 -5.21 1.01 0.16 -4.91 121.20 118.95 2h45 s ILE 63 Ca 0.03 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 2h45 s ILE 63 Cb -0.13 -4.10 0.17 0.00 0.01 0.00 0.00 42.46 38.41 2h45 s ILE 63 CO 0.02 -0.54 1.14 -2.16 0.00 0.00 0.00 174.94 173.39 2h45 s PRO 64 N 1.67 1.11 -1.44 2.79 0.04 -1.26 -0.98 135.00 136.94 2h45 s PRO 64 Ca 0.05 -0.97 -0.09 0.00 0.04 0.00 0.00 61.00 60.03 2h45 s PRO 64 Cb -0.23 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.19 2h45 s PRO 64 CO 0.07 -1.93 0.98 -0.25 0.04 0.00 0.00 177.00 175.91 2h45 n ASP 65 N -3.24 -5.97 -4.86 6.66 8.00 -1.26 -4.93 116.55 110.95 2h45 n ASP 65 Ca 0.17 -0.51 -0.32 0.00 0.71 0.00 0.00 54.79 54.84 2h45 n ASP 65 Cb 0.60 -4.74 -0.06 0.00 -0.02 0.00 0.00 41.12 36.90 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 -7.12 4.09 -0.44 0.64 1.43 -0.92 -5.04 118.68 111.32 2h45 s LEU 66 Ca 0.52 1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 54.57 2h45 s LEU 66 Cb -0.24 -3.92 0.03 0.00 0.03 0.00 0.00 46.19 42.08 2h45 s LEU 66 CO 0.65 -0.16 0.56 -0.76 0.23 0.00 0.00 176.35 176.86 2h45 s LEU 67 N -2.96 4.72 0.32 1.79 1.43 -1.26 -4.44 118.68 118.28 2h45 s LEU 67 Ca 0.51 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 2h45 s LEU 67 Cb -0.11 -2.55 -0.13 0.00 0.03 0.00 0.00 46.19 43.44 2h45 s LEU 67 CO 0.19 -0.72 1.25 -2.65 0.23 0.00 0.00 176.35 174.66 2h45 n PRO 68 N 5.98 1.99 -0.75 1.29 -0.02 -1.26 -2.25 135.00 139.96 2h45 n PRO 68 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2h45 n PRO 68 Cb 0.47 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.96 0.57 3.23 -1.23 0.00 -1.26 -5.04 105.19 102.41 2h45 n GLY 69 Ca 0.06 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.99 1.38 -0.18 1.61 1.81 -0.96 -4.98 118.95 116.65 2h45 s ARG 70 Ca 0.00 -0.86 -0.09 0.00 -1.72 0.00 0.00 55.73 53.06 2h45 s ARG 70 Cb 0.00 -1.44 -0.05 0.00 -0.45 0.00 0.00 34.95 33.01 2h45 s ARG 70 CO 0.00 0.37 0.12 0.21 -0.68 0.00 0.00 175.30 175.32 2h45 s LYS 71 N -0.99 3.99 0.15 3.54 2.20 -1.26 -2.70 119.74 124.67 2h45 s LYS 71 Ca 0.07 -0.23 0.11 0.00 -0.36 0.00 0.00 55.97 55.56 2h45 s LYS 71 Cb -0.08 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2h45 s LYS 71 CO 0.01 0.39 -0.25 0.71 -0.36 0.00 0.00 175.35 175.85 2h45 s TYR 72 N 0.08 2.33 -0.15 4.03 1.51 -0.85 -0.44 117.35 123.86 2h45 s TYR 72 Ca 0.08 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2h45 s TYR 72 Cb -0.11 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2h45 s TYR 72 CO -0.00 0.40 -0.03 0.42 -1.11 0.00 0.00 175.55 175.22 2h45 s ILE 73 N -1.27 3.99 -0.07 2.71 1.01 -0.28 -2.23 121.20 125.07 2h45 s ILE 73 Ca 0.17 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.54 2h45 s ILE 73 Cb -0.09 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 2h45 s ILE 73 CO 0.08 0.51 -0.24 -0.69 0.00 0.00 0.00 174.94 174.59 2h45 s VAL 74 N 0.18 2.11 -0.07 2.92 1.01 0.12 -2.73 120.40 123.94 2h45 s VAL 74 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2h45 s VAL 74 Cb -0.14 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2h45 s VAL 74 CO 0.03 0.57 -0.05 0.20 0.00 0.00 0.00 175.10 175.84 2h45 s ASN 75 N -0.06 1.43 -0.19 3.32 0.01 -0.52 -0.42 114.94 118.52 2h45 s ASN 75 Ca -0.07 -0.17 -0.07 0.00 -0.71 0.00 0.00 52.86 51.84 2h45 s ASN 75 Cb -0.15 -0.57 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 2h45 s ASN 75 CO 0.05 -0.09 0.06 -0.69 -1.51 0.00 0.00 177.10 174.92 2h45 s VAL 76 N 1.27 4.71 -0.03 1.60 1.01 0.21 -1.33 120.40 127.84 2h45 s VAL 76 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2h45 s VAL 76 Cb -0.14 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2h45 s VAL 76 CO -0.02 0.45 -0.24 -0.31 0.00 0.00 0.00 175.10 174.98 2h45 s TYR 77 N 0.49 2.41 -0.12 5.22 2.02 0.99 -1.25 117.35 127.11 2h45 s TYR 77 Ca 0.03 -0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 56.23 2h45 s TYR 77 Cb -0.13 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 2h45 s TYR 77 CO 0.01 -0.04 0.04 1.14 -1.57 0.00 0.00 175.55 175.12 2h45 s GLN 78 N -0.53 3.34 -0.27 -0.62 -2.07 -0.37 0.21 119.66 119.35 2h45 s GLN 78 Ca 0.07 -0.34 -0.11 0.00 -1.82 0.00 0.00 55.36 53.16 2h45 s GLN 78 Cb -0.11 -2.97 -0.05 0.00 -1.09 0.00 0.00 33.01 28.79 2h45 s GLN 78 CO 0.00 0.60 0.18 0.42 -1.32 0.00 0.00 175.29 175.17 2h45 s ILE 79 N -0.56 5.31 0.72 3.63 1.01 0.12 -1.93 121.20 129.51 2h45 s ILE 79 Ca 0.10 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 2h45 s ILE 79 Cb -0.12 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 38.89 2h45 s ILE 79 CO 0.02 0.28 1.07 -0.94 0.00 0.00 0.00 174.94 175.37 2h45 s SER 80 N 1.51 5.02 0.66 3.58 1.04 0.43 0.38 113.70 126.32 2h45 s SER 80 Ca 0.07 0.78 0.39 0.00 0.48 0.00 0.00 55.95 57.67 2h45 s SER 80 Cb -0.15 -1.47 2.13 0.00 0.10 0.00 0.00 66.02 66.63 2h45 s SER 80 CO 0.09 -1.53 2.20 -0.33 0.98 0.00 0.00 173.24 174.64 2h45 h GLU 81 N -0.68 0.00 -0.02 4.02 5.08 -1.90 0.32 114.58 121.40 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 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2h45 h GLU 81 CO 0.63 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.24 2h45 n ASP 82 N -3.00 1.84 0.00 1.42 5.68 -1.26 -4.92 116.55 116.32 2h45 n ASP 82 Ca -0.03 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2h45 n ASP 82 Cb 0.18 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 1.21 0.70 3.79 6.12 0.00 0.11 -5.05 105.19 112.08 2h45 n GLY 83 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.37 4.45 -0.04 1.61 0.41 -1.25 -4.75 118.70 118.75 2h45 s GLU 84 Ca 0.00 1.13 0.01 0.00 -0.41 0.00 0.00 54.97 55.70 2h45 s GLU 84 Cb 0.00 -2.89 -0.03 0.00 -1.78 0.00 0.00 34.13 29.43 2h45 s GLU 84 CO 0.00 0.36 -0.04 -0.65 -0.49 0.00 0.00 175.26 174.43 2h45 s GLN 85 N -1.92 2.74 -0.02 1.61 -1.52 -1.26 -0.43 119.66 118.87 2h45 s GLN 85 Ca 0.46 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 53.29 2h45 s GLN 85 Cb -0.18 -2.61 0.02 0.00 -0.22 0.00 0.00 33.01 30.01 2h45 s GLN 85 CO 0.23 0.65 -0.00 0.45 -0.25 0.00 0.00 175.29 176.36 2h45 s SER 86 N -1.11 0.31 -0.18 5.90 0.15 -0.81 -4.90 113.70 113.05 2h45 s SER 86 Ca 0.15 -0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 2h45 s SER 86 Cb -0.11 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 2h45 s SER 86 CO 0.05 -0.05 1.36 -0.22 1.20 0.00 0.00 173.24 175.58 2h45 s LEU 87 N 0.59 4.12 -0.04 3.45 2.96 -1.26 -1.24 118.68 127.26 2h45 s LEU 87 Ca -0.06 1.67 0.10 0.00 -0.22 0.00 0.00 54.13 55.63 2h45 s LEU 87 Cb -0.08 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.91 2h45 s LEU 87 CO -0.01 -0.90 0.17 2.30 -1.32 0.00 0.00 176.35 176.60 2h45 n ILE 88 N 5.65 0.23 -3.66 6.68 -5.35 -0.38 -4.99 119.36 117.54 2h45 n ILE 88 Ca 0.15 -0.31 -0.07 0.00 -0.27 0.00 0.00 62.75 62.25 2h45 n ILE 88 Cb 0.45 -0.07 -0.08 0.00 -1.74 0.00 0.00 39.64 38.20 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 -4.09 -0.76 -0.08 7.28 2.96 -1.21 -4.90 118.68 117.89 2h45 s LEU 89 Ca -0.04 1.32 -0.00 0.00 -0.22 0.00 0.00 54.13 55.18 2h45 s LEU 89 Cb 0.06 2.00 0.02 0.00 0.50 0.00 0.00 46.19 48.77 2h45 s LEU 89 CO 0.45 -0.22 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.66 2h45 s SER 90 N 1.98 1.69 0.12 3.68 0.15 -1.26 0.68 113.70 120.74 2h45 s SER 90 Ca -0.08 -0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.24 2h45 s SER 90 Cb -0.08 -0.60 0.03 0.00 -1.71 0.00 0.00 66.02 63.65 2h45 s SER 90 CO -0.17 -0.13 0.36 0.28 1.20 0.00 0.00 173.24 174.78 2h45 s THR 91 N 1.61 0.08 0.16 6.45 -1.32 0.45 -5.00 115.64 118.07 2h45 s THR 91 Ca 0.01 -0.69 0.10 0.00 -1.21 0.00 0.00 61.69 59.90 2h45 s THR 91 Cb -0.13 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 2h45 s THR 91 CO -0.05 -0.38 -0.23 -0.94 -2.21 0.00 0.00 174.62 170.81 2h45 s SER 92 N -2.81 3.16 0.10 8.08 1.04 -1.26 0.12 113.70 122.12 2h45 s SER 92 Ca 0.03 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 55.57 2h45 s SER 92 Cb 0.02 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2h45 s SER 92 CO -0.12 0.10 0.17 -1.10 0.98 0.00 0.00 173.24 173.27 2h45 s GLN 93 N -2.48 0.87 -0.20 4.02 -0.21 -0.94 -5.00 119.66 115.72 2h45 s GLN 93 Ca 0.17 -1.07 0.01 0.00 0.02 0.00 0.00 55.36 54.49 2h45 s GLN 93 Cb -0.08 0.32 0.04 0.00 1.00 0.00 0.00 33.01 34.30 2h45 s GLN 93 CO 0.08 -0.27 -0.10 0.99 -2.12 0.00 0.00 175.29 173.86 2h45 s THR 94 N -3.90 1.67 -0.58 -0.19 2.01 -1.26 -2.01 115.64 111.37 2h45 s THR 94 Ca 0.09 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.03 2h45 s THR 94 Cb 0.05 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.81 2h45 s THR 94 CO -0.08 0.15 0.14 0.35 -0.69 0.00 0.00 174.62 174.49