#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 2.64 -3.65 1.61 -0.02 -1.26 -4.99 135.00 129.33 2h45 n PRO 2 Ca 0.00 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.04 2h45 n PRO 2 Cb 0.00 -2.68 -0.06 0.00 -0.02 0.00 0.00 33.50 30.74 2h45 n PRO 2 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2h45 s LEU 3 N -1.15 4.37 0.00 2.45 2.96 -1.26 -4.07 118.68 121.98 2h45 s LEU 3 Ca 0.59 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 2h45 s LEU 3 Cb -0.50 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 43.86 2h45 s LEU 3 CO 0.56 0.28 0.00 0.61 -1.32 0.00 0.00 176.35 176.48 2h45 n GLY 4 N 2.41 2.52 3.53 7.98 0.00 -1.26 -5.00 105.19 115.37 2h45 n GLY 4 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2h45 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h45 s SER 5 N -2.86 4.44 0.00 1.61 0.15 -1.26 -4.91 113.70 110.87 2h45 s SER 5 Ca 0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2h45 s SER 5 Cb 0.00 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2h45 s SER 5 CO 0.00 0.32 0.00 1.41 1.20 0.00 0.00 173.24 176.17 2h45 n HIS 6 N 2.51 0.00 -1.52 3.44 8.25 -1.26 -4.80 115.22 121.83 2h45 n HIS 6 Ca -0.18 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.93 2h45 n HIS 6 Cb 0.53 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.52 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 0.00 0.79 -0.04 2.41 -0.00 -1.26 -4.64 117.00 114.25 2h45 n LEU 7 Ca 0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 56.01 55.71 2h45 n LEU 7 Cb 0.00 -1.13 -0.06 0.00 -0.00 0.00 0.00 43.42 42.24 2h45 n LEU 7 CO 0.00 -1.22 -0.79 0.55 -0.00 0.00 0.00 177.39 175.93 2h45 n VAL 8 N 7.50 0.56 -0.60 1.47 3.14 -1.26 -4.97 118.33 124.18 2h45 n VAL 8 Ca 0.56 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 2h45 n VAL 8 Cb 0.23 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h45 n ALA 9 N -2.48 0.00 0.00 1.55 0.00 -1.26 -4.78 120.51 113.54 2h45 n ALA 9 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2h45 n ALA 9 Cb 0.74 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2h45 n ALA 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2h45 n THR 10 N -2.01 0.00 -2.66 0.00 -1.04 -1.26 -0.64 114.28 106.67 2h45 n THR 10 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2h45 n THR 10 Cb 0.08 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.61 2h45 n THR 10 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2h45 n SER 11 N 0.52 1.94 -0.80 8.00 7.64 -1.26 -5.07 113.62 124.59 2h45 n SER 11 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2h45 n SER 11 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2h45 n SER 11 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2h45 n GLU 12 N -0.11 -0.26 -0.08 1.43 2.13 0.18 -4.76 120.64 119.18 2h45 n GLU 12 Ca 0.15 0.25 0.07 0.00 0.66 0.00 0.00 57.16 58.28 2h45 n GLU 12 Cb 0.78 -0.21 0.27 0.00 0.27 0.00 0.00 31.44 32.55 2h45 n GLU 12 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2h45 n SER 13 N 1.51 1.07 -3.14 4.31 7.64 -1.26 -4.27 113.62 119.48 2h45 n SER 13 Ca 0.00 -1.80 -0.40 0.00 1.01 0.00 0.00 58.87 57.68 2h45 n SER 13 Cb 0.00 -0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2h45 n SER 13 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2h45 n VAL 14 N 0.00 4.44 -3.25 0.44 0.31 -1.26 -4.99 118.33 114.03 2h45 n VAL 14 Ca 0.11 -4.78 -0.39 0.00 -0.01 0.00 0.00 64.34 59.28 2h45 n VAL 14 Cb 0.20 -1.38 -0.06 0.00 -0.91 0.00 0.00 33.84 31.69 2h45 n VAL 14 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2h45 s THR 15 N -4.59 4.77 0.00 2.52 2.01 -1.26 -4.72 115.64 114.37 2h45 s THR 15 Ca 0.48 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.72 2h45 s THR 15 Cb 0.35 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.94 2h45 s THR 15 CO -0.31 0.52 0.00 -1.84 -0.69 0.00 0.00 174.62 172.30 2h45 n GLU 16 N 2.00 0.00 0.00 4.92 -0.00 -1.26 -4.53 120.64 121.77 2h45 n GLU 16 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.07 2h45 n GLU 16 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2h45 n ILE 17 N -0.18 0.00 0.00 3.84 5.41 -1.25 -3.20 119.36 123.99 2h45 n ILE 17 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2h45 n ILE 17 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 -0.53 0.00 -1.87 1.39 -2.24 -1.26 0.35 114.28 110.12 2h45 n THR 18 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 2h45 n THR 18 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.01 -0.34 -1.90 6.98 0.00 -1.26 -1.71 120.51 122.28 2h45 n ALA 19 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 2h45 n ALA 19 Cb 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.71 -5.43 -3.38 0.00 3.41 0.77 -1.94 113.62 106.34 2h45 n SER 20 Ca -0.17 0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.46 2h45 n SER 20 Cb 0.57 -4.70 0.26 0.00 -0.26 0.00 0.00 64.21 60.08 2h45 n SER 20 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2h45 n SER 21 N -1.55 -2.96 -3.85 4.04 3.41 1.09 -4.56 113.62 109.24 2h45 n SER 21 Ca -0.21 -1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 57.26 2h45 n SER 21 Cb 0.67 -0.96 -0.13 0.00 -0.26 0.00 0.00 64.21 63.52 2h45 n SER 21 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2h45 s PHE 22 N -2.53 -0.06 -0.39 7.33 0.08 -1.04 -3.78 117.98 117.58 2h45 s PHE 22 Ca 0.67 0.14 -0.02 0.00 0.12 0.00 0.00 56.93 57.84 2h45 s PHE 22 Cb -0.09 0.02 0.10 0.00 -0.57 0.00 0.00 43.02 42.49 2h45 s PHE 22 CO 0.53 -0.03 0.17 0.08 -0.10 0.00 0.00 175.22 175.87 2h45 s VAL 23 N 0.02 3.20 -0.11 -0.44 1.01 -1.26 -0.63 120.40 122.18 2h45 s VAL 23 Ca -0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 59.97 2h45 s VAL 23 Cb -0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2h45 s VAL 23 CO 0.00 -0.62 -0.08 -0.69 0.00 0.00 0.00 175.10 173.71 2h45 s VAL 24 N 1.14 3.55 0.16 2.92 1.01 -0.94 -4.98 120.40 123.27 2h45 s VAL 24 Ca 0.07 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.65 2h45 s VAL 24 Cb -0.22 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2h45 s VAL 24 CO -0.04 0.54 -0.22 -0.94 0.00 0.00 0.00 175.10 174.44 2h45 s SER 25 N -0.08 3.06 0.05 3.32 1.04 -1.26 -1.88 113.70 117.95 2h45 s SER 25 Ca 0.00 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.62 2h45 s SER 25 Cb -0.13 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 2h45 s SER 25 CO 0.03 0.08 0.06 -2.67 0.98 0.00 0.00 173.24 171.72 2h45 n TRP 26 N 0.53 -0.30 -4.66 5.02 2.14 -0.28 -4.99 117.44 114.89 2h45 n TRP 26 Ca -0.15 -0.43 -0.30 0.00 2.07 0.00 0.00 57.50 58.70 2h45 n TRP 26 Cb 0.55 0.06 -0.17 0.00 -0.81 0.00 0.00 31.31 30.95 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 -2.32 1.68 0.03 -1.67 1.01 -1.26 -4.79 120.40 113.08 2h45 s VAL 27 Ca 0.06 -0.77 -0.35 0.00 0.00 0.00 0.00 61.98 60.92 2h45 s VAL 27 Cb 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 36.38 34.74 2h45 s VAL 27 CO 0.04 0.48 1.63 -1.20 0.00 0.00 0.00 175.10 176.05 2h45 n SER 28 N 3.99 2.84 -0.59 3.32 7.64 -1.26 -4.82 113.62 124.74 2h45 n SER 28 Ca -0.20 1.06 0.09 0.00 1.01 0.00 0.00 58.87 60.84 2h45 n SER 28 Cb 0.52 -1.34 0.32 0.00 -1.01 0.00 0.00 64.21 62.70 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 4.33 2.50 -3.64 -0.43 0.00 -1.26 -4.85 120.51 117.15 2h45 n ALA 29 Ca 0.20 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 2h45 n ALA 29 Cb 0.25 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 2h45 n ALA 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2h45 s SER 30 N -1.43 -0.29 0.00 0.00 0.01 -1.26 -5.01 113.70 105.73 2h45 s SER 30 Ca 0.30 0.52 0.29 0.00 1.31 0.00 0.00 55.95 58.37 2h45 s SER 30 Cb 0.16 0.73 1.21 0.00 0.21 0.00 0.00 66.02 68.33 2h45 s SER 30 CO 0.24 -0.09 1.84 0.47 0.41 0.00 0.00 173.24 176.11 2h45 n ASP 31 N 2.45 0.66 -0.24 2.44 8.00 -1.26 -3.10 116.55 125.50 2h45 n ASP 31 Ca -0.14 -0.81 0.13 0.00 0.71 0.00 0.00 54.79 54.69 2h45 n ASP 31 Cb 0.57 -0.02 0.43 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.74 0.00 -1.76 -3.53 -2.24 -1.26 -4.91 114.28 99.84 2h45 n THR 32 Ca 0.16 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 2h45 n THR 32 Cb 0.28 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2h45 n THR 32 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2h45 n VAL 33 N -0.65 1.67 0.51 2.28 3.14 -1.18 -3.64 118.33 120.46 2h45 n VAL 33 Ca 0.13 -0.42 0.11 0.00 -2.96 0.00 0.00 64.34 61.20 2h45 n VAL 33 Cb 0.34 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.18 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 1.04 0.59 0.00 6.55 7.64 1.08 -4.61 113.62 125.92 2h45 n SER 34 Ca 0.04 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2h45 n SER 34 Cb 0.38 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 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 1.35 -1.39 3.29 0.23 0.00 -1.13 -3.32 105.19 104.22 2h45 n GLY 35 Ca 0.01 -1.05 -0.20 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 -2.08 1.61 -0.07 1.61 0.08 0.50 0.20 117.98 119.84 2h45 s PHE 36 Ca 0.00 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.54 2h45 s PHE 36 Cb 0.00 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 2h45 s PHE 36 CO 0.00 0.24 -0.06 0.50 -0.10 0.00 0.00 175.22 175.80 2h45 s ARG 37 N -2.73 1.16 -0.12 0.44 3.52 0.93 0.13 118.95 122.27 2h45 s ARG 37 Ca 0.12 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.53 2h45 s ARG 37 Cb -0.05 -1.20 -0.03 0.00 -1.56 0.00 0.00 34.95 32.11 2h45 s ARG 37 CO 0.05 -0.16 -0.00 0.08 -0.81 0.00 0.00 175.30 174.46 2h45 s VAL 38 N 1.31 4.25 -0.08 7.11 1.01 0.11 -0.90 120.40 133.21 2h45 s VAL 38 Ca -0.04 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2h45 s VAL 38 Cb -0.14 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.43 2h45 s VAL 38 CO -0.03 0.55 -0.16 -0.70 0.00 0.00 0.00 175.10 174.76 2h45 s GLU 39 N -0.31 2.14 -0.03 2.72 2.12 -0.61 -0.86 118.70 123.88 2h45 s GLU 39 Ca 0.06 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.83 2h45 s GLU 39 Cb -0.12 -1.71 0.02 0.00 0.26 0.00 0.00 34.13 32.58 2h45 s GLU 39 CO 0.02 0.07 -0.01 1.52 -0.54 0.00 0.00 175.26 176.33 2h45 s TYR 40 N 0.58 0.34 0.10 5.30 1.13 -1.12 -1.28 117.35 122.40 2h45 s TYR 40 Ca -0.16 -0.02 -0.06 0.00 -1.41 0.00 0.00 57.07 55.42 2h45 s TYR 40 Cb -0.16 -0.40 -0.02 0.00 -1.10 0.00 0.00 41.96 40.28 2h45 s TYR 40 CO 0.05 -0.12 0.14 -1.83 -2.51 0.00 0.00 175.55 171.28 2h45 s GLU 41 N 0.88 0.87 -0.01 -3.49 -1.05 -1.02 -2.88 118.70 112.00 2h45 s GLU 41 Ca -0.09 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.29 2h45 s GLU 41 Cb -0.12 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 2h45 s GLU 41 CO -0.01 -0.26 1.22 -0.51 0.95 0.00 0.00 175.26 176.65 2h45 s LEU 42 N -2.92 4.31 0.49 1.83 1.43 -1.26 -0.08 118.68 122.48 2h45 s LEU 42 Ca 0.11 1.91 0.29 0.00 -1.03 0.00 0.00 54.13 55.40 2h45 s LEU 42 Cb 0.06 -3.56 0.99 0.00 0.03 0.00 0.00 46.19 43.70 2h45 s LEU 42 CO -0.07 -0.56 1.85 0.77 0.23 0.00 0.00 176.35 178.56 2h45 h SER 43 N 7.31 0.00 0.00 2.29 4.64 0.02 -1.72 113.55 126.09 2h45 h SER 43 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2h45 h SER 43 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2h45 h SER 43 CO 0.86 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 176.27 2h45 n GLU 44 N -3.16 0.00 -0.15 4.77 1.02 -1.26 -4.49 120.64 117.38 2h45 n GLU 44 Ca 0.01 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.43 2h45 n GLU 44 Cb 0.40 -0.63 0.40 0.00 -0.02 0.00 0.00 31.44 31.59 2h45 n GLU 44 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2h45 h GLU 45 N 0.00 0.63 -0.22 3.49 5.08 -1.91 -3.45 114.58 118.19 2h45 h GLU 45 Ca 0.00 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2h45 h GLU 45 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2h45 h GLU 45 CO 0.00 0.42 -0.07 0.41 -1.00 0.00 0.00 179.01 178.76 2h45 n GLY 46 N -1.47 0.60 3.27 -3.84 0.00 -0.65 -5.00 105.19 98.11 2h45 n GLY 46 Ca 0.10 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 2h45 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2h45 n ASP 47 N 1.39 -2.45 -4.76 1.61 8.00 -1.26 -4.87 116.55 114.21 2h45 n ASP 47 Ca -0.04 -0.06 -0.38 0.00 0.71 0.00 0.00 54.79 55.02 2h45 n ASP 47 Cb 0.18 -0.94 0.02 0.00 -0.02 0.00 0.00 41.12 40.35 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2h45 s GLU 48 N -3.33 3.51 0.51 -1.24 -1.05 -1.26 -4.56 118.70 111.28 2h45 s GLU 48 Ca 0.54 2.12 -0.19 0.00 -0.15 0.00 0.00 54.97 57.30 2h45 s GLU 48 Cb -0.11 -2.43 -0.08 0.00 -0.44 0.00 0.00 34.13 31.07 2h45 s GLU 48 CO 0.67 -0.86 1.02 -1.25 0.95 0.00 0.00 175.26 175.79 2h45 s PRO 49 N -2.68 3.76 0.05 -4.83 0.04 -1.26 -4.83 135.00 125.26 2h45 s PRO 49 Ca 0.66 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.99 2h45 s PRO 49 Cb -0.37 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2h45 s PRO 49 CO 0.46 -0.45 -0.14 -0.65 0.04 0.00 0.00 177.00 176.26 2h45 s GLN 50 N -3.56 2.16 -0.04 4.56 -0.21 -1.14 -4.98 119.66 116.45 2h45 s GLN 50 Ca 0.64 -0.95 0.06 0.00 0.02 0.00 0.00 55.36 55.13 2h45 s GLN 50 Cb -0.14 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 31.59 2h45 s GLN 50 CO 0.25 0.54 -0.21 0.71 -2.12 0.00 0.00 175.29 174.46 2h45 s TYR 51 N -1.01 2.03 -0.05 0.91 2.02 -1.26 -2.78 117.35 117.21 2h45 s TYR 51 Ca 0.17 -0.51 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 2h45 s TYR 51 Cb -0.11 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2h45 s TYR 51 CO 0.08 -0.13 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.22 2h45 s LEU 52 N -0.24 1.97 -0.12 -1.29 1.43 -0.04 -4.94 118.68 115.45 2h45 s LEU 52 Ca 0.01 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2h45 s LEU 52 Cb -0.11 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 2h45 s LEU 52 CO 0.01 0.18 -0.03 -1.81 0.23 0.00 0.00 176.35 174.94 2h45 s ASP 53 N -0.01 4.92 0.11 2.29 1.01 -1.26 0.06 116.67 123.79 2h45 s ASP 53 Ca -0.04 -0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.25 2h45 s ASP 53 Cb -0.12 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2h45 s ASP 53 CO 0.03 0.27 -0.14 -0.76 0.21 0.00 0.00 175.17 174.77 2h45 s LEU 54 N -0.21 2.38 0.76 1.23 1.43 0.12 -4.94 118.68 119.44 2h45 s LEU 54 Ca 0.04 -0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 2h45 s LEU 54 Cb -0.13 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.60 2h45 s LEU 54 CO 0.02 -0.13 1.16 -2.16 0.23 0.00 0.00 176.35 175.47 2h45 s PRO 55 N -2.48 2.05 0.39 1.29 0.04 -1.26 0.19 135.00 135.22 2h45 s PRO 55 Ca 0.07 1.55 0.23 0.00 0.04 0.00 0.00 61.00 62.89 2h45 s PRO 55 Cb -0.06 -1.84 1.27 0.00 0.04 0.00 0.00 34.50 33.91 2h45 s PRO 55 CO 0.03 -1.86 1.69 0.66 0.04 0.00 0.00 177.00 177.55 2h45 h SER 56 N -0.70 0.00 0.34 6.66 4.64 -1.81 0.50 113.55 123.18 2h45 h SER 56 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2h45 h SER 56 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2h45 h SER 56 CO 0.49 0.00 -0.42 0.35 -0.87 0.00 0.00 176.83 176.38 2h45 n THR 57 N -2.36 0.00 -2.98 2.95 -2.24 -1.26 -4.88 114.28 103.51 2h45 n THR 57 Ca -0.02 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 2h45 n THR 57 Cb 0.13 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.76 3.41 -0.01 6.98 0.00 0.17 -4.95 121.76 124.60 2h45 s ALA 58 Ca 0.17 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2h45 s ALA 58 Cb 0.18 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.36 2h45 s ALA 58 CO 0.62 0.18 0.79 0.25 0.00 0.00 0.00 175.76 177.60 2h45 n THR 59 N 2.22 0.37 -3.59 0.00 -2.24 -1.26 -4.88 114.28 104.90 2h45 n THR 59 Ca -0.04 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 2h45 n THR 59 Cb 0.49 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.75 -0.53 -0.02 3.42 1.04 -1.26 -1.12 113.70 114.47 2h45 s SER 60 Ca 0.03 0.81 -0.21 0.00 0.48 0.00 0.00 55.95 57.06 2h45 s SER 60 Cb 0.03 0.75 0.04 0.00 0.10 0.00 0.00 66.02 66.94 2h45 s SER 60 CO 0.00 -0.33 0.46 0.54 0.98 0.00 0.00 173.24 174.89 2h45 s VAL 61 N -0.46 0.03 -0.19 5.02 0.11 -0.79 -5.01 120.40 119.12 2h45 s VAL 61 Ca -0.02 -0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 2h45 s VAL 61 Cb -0.03 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2h45 s VAL 61 CO 0.01 -0.16 0.07 0.21 -3.33 0.00 0.00 175.10 171.91 2h45 s ASN 62 N -1.33 5.68 -0.48 3.54 3.04 -1.26 -2.20 114.94 121.93 2h45 s ASN 62 Ca -0.12 0.08 -0.16 0.00 0.04 0.00 0.00 52.86 52.71 2h45 s ASN 62 Cb -0.03 -1.98 0.08 0.00 -1.54 0.00 0.00 41.25 37.78 2h45 s ASN 62 CO 0.06 0.16 0.42 -0.63 -3.04 0.00 0.00 177.10 174.07 2h45 s ILE 63 N 0.45 5.23 0.80 -5.21 1.01 0.19 -4.92 121.20 118.76 2h45 s ILE 63 Ca 0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 2h45 s ILE 63 Cb -0.12 -4.16 0.17 0.00 0.01 0.00 0.00 42.46 38.35 2h45 s ILE 63 CO 0.00 -0.63 1.10 -2.16 0.00 0.00 0.00 174.94 173.25 2h45 s PRO 64 N 1.64 1.26 -1.49 2.79 0.04 -1.26 -2.51 135.00 135.48 2h45 s PRO 64 Ca 0.04 -1.12 -0.07 0.00 0.04 0.00 0.00 61.00 59.90 2h45 s PRO 64 Cb -0.25 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.08 2h45 s PRO 64 CO 0.06 -1.79 0.83 -0.25 0.04 0.00 0.00 177.00 175.89 2h45 n ASP 65 N -3.10 -6.19 -4.88 6.66 8.00 -1.26 -4.94 116.55 110.84 2h45 n ASP 65 Ca 0.17 -0.39 -0.31 0.00 0.71 0.00 0.00 54.79 54.96 2h45 n ASP 65 Cb 0.60 -4.95 -0.05 0.00 -0.02 0.00 0.00 41.12 36.71 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 4.18 -0.42 0.64 1.43 -0.82 -5.05 118.68 111.70 2h45 s LEU 66 Ca 0.42 0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 54.10 2h45 s LEU 66 Cb -0.19 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2h45 s LEU 66 CO 0.52 -0.05 0.75 -0.76 0.23 0.00 0.00 176.35 177.03 2h45 s LEU 67 N -2.86 4.27 0.46 1.79 1.43 -1.26 -4.32 118.68 118.18 2h45 s LEU 67 Ca 0.45 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.27 2h45 s LEU 67 Cb -0.11 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 2h45 s LEU 67 CO 0.23 -0.83 1.31 -2.65 0.23 0.00 0.00 176.35 174.64 2h45 n PRO 68 N 6.53 1.92 -0.84 1.29 -0.02 -1.26 -2.57 135.00 140.05 2h45 n PRO 68 Ca 0.01 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2h45 n PRO 68 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.77 0.56 3.29 -1.23 0.00 -0.98 -5.03 105.19 102.57 2h45 n GLY 69 Ca 0.07 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.41 1.41 -0.10 1.61 1.81 -1.06 -4.97 118.95 117.23 2h45 s ARG 70 Ca 0.00 -1.08 -0.14 0.00 -1.72 0.00 0.00 55.73 52.80 2h45 s ARG 70 Cb 0.00 -1.62 -0.05 0.00 -0.45 0.00 0.00 34.95 32.83 2h45 s ARG 70 CO 0.00 0.40 0.33 0.21 -0.68 0.00 0.00 175.30 175.56 2h45 s LYS 71 N -1.47 4.06 0.14 3.54 2.20 -1.26 -2.37 119.74 124.58 2h45 s LYS 71 Ca 0.09 0.20 0.10 0.00 -0.36 0.00 0.00 55.97 56.01 2h45 s LYS 71 Cb -0.09 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2h45 s LYS 71 CO 0.03 0.44 -0.23 0.71 -0.36 0.00 0.00 175.35 175.94 2h45 s TYR 72 N -0.18 2.40 -0.22 4.03 1.51 0.94 0.75 117.35 126.58 2h45 s TYR 72 Ca 0.20 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 2h45 s TYR 72 Cb -0.14 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 2h45 s TYR 72 CO 0.07 0.39 0.02 0.42 -1.11 0.00 0.00 175.55 175.34 2h45 s ILE 73 N -1.21 3.93 -0.12 2.71 1.01 0.88 -0.32 121.20 128.09 2h45 s ILE 73 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2h45 s ILE 73 Cb -0.10 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2h45 s ILE 73 CO 0.08 0.39 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 2h45 s VAL 74 N 1.36 3.08 -0.04 2.92 1.01 0.15 -2.44 120.40 126.44 2h45 s VAL 74 Ca 0.05 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2h45 s VAL 74 Cb -0.15 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2h45 s VAL 74 CO 0.01 0.53 -0.06 0.20 0.00 0.00 0.00 175.10 175.79 2h45 s ASN 75 N 0.20 1.01 -0.16 3.32 0.01 -0.40 -0.36 114.94 118.55 2h45 s ASN 75 Ca -0.08 -0.15 -0.06 0.00 -0.71 0.00 0.00 52.86 51.86 2h45 s ASN 75 Cb -0.15 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.04 2h45 s ASN 75 CO 0.05 -0.02 0.04 -0.69 -1.51 0.00 0.00 177.10 174.97 2h45 s VAL 76 N 0.70 4.57 -0.03 1.60 1.01 0.12 -1.58 120.40 126.78 2h45 s VAL 76 Ca -0.10 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2h45 s VAL 76 Cb -0.13 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2h45 s VAL 76 CO 0.01 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 2h45 s TYR 77 N 0.17 1.98 -0.14 5.22 2.02 -0.08 -1.81 117.35 124.72 2h45 s TYR 77 Ca 0.03 -0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 56.17 2h45 s TYR 77 Cb -0.13 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 2h45 s TYR 77 CO 0.01 -0.12 0.12 1.14 -1.57 0.00 0.00 175.55 175.13 2h45 s GLN 78 N -0.25 3.63 -0.23 -0.62 -2.07 -1.00 -0.05 119.66 119.07 2h45 s GLN 78 Ca 0.02 -0.20 -0.11 0.00 -1.82 0.00 0.00 55.36 53.25 2h45 s GLN 78 Cb -0.11 -3.21 -0.05 0.00 -1.09 0.00 0.00 33.01 28.55 2h45 s GLN 78 CO 0.01 0.61 0.19 0.42 -1.32 0.00 0.00 175.29 175.20 2h45 s ILE 79 N -0.55 5.34 0.71 3.63 1.01 0.13 -2.72 121.20 128.75 2h45 s ILE 79 Ca 0.12 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.94 2h45 s ILE 79 Cb -0.12 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.88 2h45 s ILE 79 CO 0.02 0.34 1.03 -0.94 0.00 0.00 0.00 174.94 175.38 2h45 s SER 80 N 1.03 4.88 0.44 3.58 1.04 0.04 0.35 113.70 125.06 2h45 s SER 80 Ca 0.09 0.55 0.30 0.00 0.48 0.00 0.00 55.95 57.36 2h45 s SER 80 Cb -0.14 -1.22 1.62 0.00 0.10 0.00 0.00 66.02 66.38 2h45 s SER 80 CO 0.05 -1.57 1.91 -0.33 0.98 0.00 0.00 173.24 174.27 2h45 h GLU 81 N -0.61 0.00 -0.04 4.02 5.08 -1.90 0.14 114.58 121.27 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 0.61 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 2h45 n ASP 82 N -2.54 2.43 0.00 1.42 5.68 -1.26 -4.93 116.55 117.34 2h45 n ASP 82 Ca -0.02 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 2h45 n ASP 82 Cb 0.05 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 1.28 0.64 3.79 6.12 0.00 0.50 -5.05 105.19 112.47 2h45 n GLY 83 Ca 0.16 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.85 4.49 -0.04 1.61 0.41 -1.25 -4.77 118.70 118.30 2h45 s GLU 84 Ca 0.00 1.11 0.04 0.00 -0.41 0.00 0.00 54.97 55.71 2h45 s GLU 84 Cb 0.00 -3.08 -0.03 0.00 -1.78 0.00 0.00 34.13 29.24 2h45 s GLU 84 CO 0.00 0.48 -0.15 -0.65 -0.49 0.00 0.00 175.26 174.45 2h45 s GLN 85 N -1.53 2.46 -0.03 1.61 -0.21 -1.26 -0.78 119.66 119.94 2h45 s GLN 85 Ca 0.40 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 55.07 2h45 s GLN 85 Cb -0.21 -2.36 0.02 0.00 1.00 0.00 0.00 33.01 31.46 2h45 s GLN 85 CO 0.25 0.62 -0.03 0.45 -2.12 0.00 0.00 175.29 174.45 2h45 s SER 86 N -0.78 0.64 -0.21 5.90 0.15 -1.10 -4.93 113.70 113.36 2h45 s SER 86 Ca 0.12 -0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.39 2h45 s SER 86 Cb -0.11 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 2h45 s SER 86 CO 0.01 -0.03 1.46 -0.22 1.20 0.00 0.00 173.24 175.66 2h45 s LEU 87 N 0.60 4.00 -0.03 3.45 2.96 -1.26 -2.38 118.68 126.02 2h45 s LEU 87 Ca -0.07 1.60 0.12 0.00 -0.22 0.00 0.00 54.13 55.56 2h45 s LEU 87 Cb -0.10 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.87 2h45 s LEU 87 CO -0.01 -1.07 0.23 2.30 -1.32 0.00 0.00 176.35 176.49 2h45 n ILE 88 N 6.03 0.10 -3.66 6.68 -5.35 -0.75 -4.99 119.36 117.42 2h45 n ILE 88 Ca 0.16 -0.30 -0.07 0.00 -0.27 0.00 0.00 62.75 62.27 2h45 n ILE 88 Cb 0.45 0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.37 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 -3.97 -0.65 -0.09 7.28 2.96 -1.22 -4.94 118.68 118.06 2h45 s LEU 89 Ca -0.05 1.22 -0.00 0.00 -0.22 0.00 0.00 54.13 55.08 2h45 s LEU 89 Cb 0.07 1.83 0.02 0.00 0.50 0.00 0.00 46.19 48.61 2h45 s LEU 89 CO 0.50 -0.22 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.70 2h45 s SER 90 N 1.98 1.85 0.03 3.68 0.15 -1.26 0.11 113.70 120.23 2h45 s SER 90 Ca -0.07 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.15 2h45 s SER 90 Cb -0.09 -0.69 0.04 0.00 -1.71 0.00 0.00 66.02 63.57 2h45 s SER 90 CO -0.16 -0.11 0.45 0.28 1.20 0.00 0.00 173.24 174.89 2h45 s THR 91 N 1.58 0.04 0.18 6.45 -1.32 0.51 -5.01 115.64 118.07 2h45 s THR 91 Ca 0.01 -0.37 0.08 0.00 -1.21 0.00 0.00 61.69 60.20 2h45 s THR 91 Cb -0.13 -0.92 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 2h45 s THR 91 CO -0.05 -0.20 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.16 2h45 s SER 92 N -1.85 4.46 0.05 8.08 1.04 -1.26 0.33 113.70 124.54 2h45 s SER 92 Ca -0.07 -0.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 2h45 s SER 92 Cb -0.01 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 65.25 2h45 s SER 92 CO -0.00 0.09 0.04 -1.10 0.98 0.00 0.00 173.24 173.25 2h45 s GLN 93 N -2.91 0.59 -0.30 4.02 -0.21 0.57 -4.94 119.66 116.48 2h45 s GLN 93 Ca 0.26 -0.96 0.01 0.00 0.02 0.00 0.00 55.36 54.69 2h45 s GLN 93 Cb -0.09 0.22 0.07 0.00 1.00 0.00 0.00 33.01 34.21 2h45 s GLN 93 CO 0.17 -0.13 -0.02 0.99 -2.12 0.00 0.00 175.29 174.18 2h45 s THR 94 N -3.18 2.54 -0.89 -0.19 2.01 -1.26 -0.04 115.64 114.64 2h45 s THR 94 Ca -0.00 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.26 2h45 s THR 94 Cb 0.02 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.95 2h45 s THR 94 CO -0.07 -0.22 0.22 0.35 -0.69 0.00 0.00 174.62 174.21