#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 0.00 -0.10 1.61 -0.04 -1.26 -1.32 135.00 133.89 2h45 n PRO 2 Ca 0.00 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 2h45 n PRO 2 Cb 0.00 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.08 2.60 0.00 1.53 4.77 -1.26 -4.95 117.00 118.62 2h45 n LEU 3 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2h45 n LEU 3 Cb 0.02 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2h45 n LEU 3 CO 0.00 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2h45 n GLY 4 N 2.44 0.22 0.00 -0.72 0.00 -0.44 -4.42 105.19 102.27 2h45 n GLY 4 Ca -0.36 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.11 0.00 0.18 1.61 3.41 -1.26 -2.81 113.62 114.85 2h45 n SER 5 Ca 0.00 0.19 0.06 0.00 -0.26 0.00 0.00 58.87 58.86 2h45 n SER 5 Cb 0.00 -0.39 0.21 0.00 -0.26 0.00 0.00 64.21 63.78 2h45 n SER 5 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2h45 h HIS 6 N 0.00 0.00 -3.26 7.33 3.86 -1.95 -3.43 115.15 117.69 2h45 h HIS 6 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 2h45 h HIS 6 Cb 0.32 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 2h45 h HIS 6 CO 0.00 0.37 -0.09 -0.51 0.86 0.00 0.00 177.93 178.56 2h45 s LEU 7 N -6.63 4.39 -0.45 2.43 1.02 -1.12 -5.02 118.68 113.29 2h45 s LEU 7 Ca 0.03 1.02 0.08 0.00 0.02 0.00 0.00 54.13 55.28 2h45 s LEU 7 Cb 0.09 -2.79 0.25 0.00 0.02 0.00 0.00 46.19 43.76 2h45 s LEU 7 CO 0.70 0.12 0.58 1.33 0.02 0.00 0.00 176.35 179.10 2h45 n VAL 8 N 2.81 0.06 -0.02 -1.59 0.24 -1.26 -4.96 118.33 113.61 2h45 n VAL 8 Ca -0.08 -4.32 -0.11 0.00 -2.04 0.00 0.00 64.34 57.79 2h45 n VAL 8 Cb 0.51 -1.97 -0.06 0.00 -1.47 0.00 0.00 33.84 30.85 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h45 h ALA 9 N 4.02 0.14 -3.74 2.33 0.00 -1.98 -3.44 119.26 116.59 2h45 h ALA 9 Ca 0.10 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2h45 h ALA 9 Cb 0.83 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 2h45 h ALA 9 CO 0.55 -0.26 -0.21 0.25 0.00 0.00 0.00 179.25 179.58 2h45 n THR 10 N -4.90 0.00 1.83 0.00 -2.24 -1.26 -4.59 114.28 103.11 2h45 n THR 10 Ca -0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 2h45 n THR 10 Cb 0.12 -0.11 0.68 0.00 -2.10 0.00 0.00 70.33 68.92 2h45 n THR 10 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2h45 n SER 11 N -0.33 0.00 0.00 3.42 7.64 -1.26 -4.83 113.62 118.26 2h45 n SER 11 Ca 0.03 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2h45 n SER 11 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2h45 n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2h45 n GLU 12 N -0.89 0.00 0.00 1.43 1.02 -1.26 -3.39 120.64 117.55 2h45 n GLU 12 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2h45 n GLU 12 Cb 0.08 -3.83 0.00 0.00 -0.02 0.00 0.00 31.44 27.67 2h45 n GLU 12 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2h45 n SER 13 N 0.00 0.00 -3.92 1.62 2.88 -1.26 -4.83 113.62 108.10 2h45 n SER 13 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2h45 n SER 13 Cb 0.00 -0.22 -0.16 0.00 -0.75 0.00 0.00 64.21 63.08 2h45 n SER 13 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2h45 s VAL 14 N -0.32 0.49 0.14 2.46 1.01 -1.22 -1.90 120.40 121.07 2h45 s VAL 14 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2h45 s VAL 14 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2h45 s VAL 14 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 175.10 175.69 2h45 n THR 15 N 3.58 0.43 0.17 3.92 -1.04 -1.26 -4.75 114.28 115.33 2h45 n THR 15 Ca -0.21 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2h45 n THR 15 Cb 0.54 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 2h45 n THR 15 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2h45 n GLU 16 N -3.27 0.30 -0.28 -2.82 4.71 -1.26 -4.36 120.64 113.66 2h45 n GLU 16 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 57.16 57.39 2h45 n GLU 16 Cb 0.07 -1.35 0.40 0.00 -1.01 0.00 0.00 31.44 29.55 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2h45 n ILE 17 N 1.14 -0.14 -1.59 -3.67 5.41 -1.26 -3.34 119.36 115.91 2h45 n ILE 17 Ca 0.00 1.04 -0.57 0.00 1.00 0.00 0.00 62.75 64.22 2h45 n ILE 17 Cb 0.15 -1.70 -0.07 0.00 -0.71 0.00 0.00 39.64 37.30 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 -3.80 0.04 -1.90 1.39 5.66 -1.26 0.19 114.28 114.60 2h45 n THR 18 Ca 0.23 -0.01 -0.10 0.00 -3.05 0.00 0.00 64.05 61.13 2h45 n THR 18 Cb 0.92 -0.54 -0.02 0.00 -1.55 0.00 0.00 70.33 69.14 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 2.68 -0.24 -3.28 1.79 0.00 -1.26 -2.70 120.51 117.50 2h45 n ALA 19 Ca 0.21 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 2h45 n ALA 19 Cb 0.12 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 0.22 -4.45 -4.62 0.00 3.41 0.51 -1.35 113.62 107.35 2h45 n SER 20 Ca -0.11 -0.37 -0.30 0.00 -0.26 0.00 0.00 58.87 57.83 2h45 n SER 20 Cb 0.50 -3.64 0.19 0.00 -0.26 0.00 0.00 64.21 61.00 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 -2.73 2.36 0.06 4.04 1.04 -0.75 -4.51 113.70 113.21 2h45 s SER 21 Ca 0.38 1.83 0.06 0.00 0.48 0.00 0.00 55.95 58.70 2h45 s SER 21 Cb -0.19 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 2h45 s SER 21 CO 0.47 -3.39 -0.15 -0.36 0.98 0.00 0.00 173.24 170.78 2h45 s PHE 22 N -2.63 1.33 -0.31 5.02 0.08 -0.59 -4.39 117.98 116.47 2h45 s PHE 22 Ca 0.67 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 57.33 2h45 s PHE 22 Cb -0.23 -0.76 0.09 0.00 -0.57 0.00 0.00 43.02 41.55 2h45 s PHE 22 CO 0.60 0.07 0.04 0.08 -0.10 0.00 0.00 175.22 175.91 2h45 s VAL 23 N -1.05 1.79 -0.08 -0.44 1.01 -0.80 0.32 120.40 121.16 2h45 s VAL 23 Ca 0.01 -1.90 0.01 0.00 0.00 0.00 0.00 61.98 60.11 2h45 s VAL 23 Cb -0.09 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2h45 s VAL 23 CO 0.02 -0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 173.81 2h45 s VAL 24 N 1.17 3.41 0.13 2.92 1.01 -0.96 -4.36 120.40 123.73 2h45 s VAL 24 Ca 0.07 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2h45 s VAL 24 Cb -0.19 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2h45 s VAL 24 CO -0.12 0.58 -0.20 -0.94 0.00 0.00 0.00 175.10 174.41 2h45 s SER 25 N -0.52 2.68 0.28 3.32 1.04 -1.26 -1.69 113.70 117.54 2h45 s SER 25 Ca 0.07 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2h45 s SER 25 Cb -0.12 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 2h45 s SER 25 CO 0.02 0.03 0.30 -2.67 0.98 0.00 0.00 173.24 171.90 2h45 n TRP 26 N 0.72 -0.89 -4.36 5.02 2.14 -0.23 -4.99 117.44 114.85 2h45 n TRP 26 Ca -0.17 -2.15 -0.34 0.00 2.07 0.00 0.00 57.50 56.91 2h45 n TRP 26 Cb 0.55 0.32 -0.11 0.00 -0.81 0.00 0.00 31.31 31.26 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 -2.96 4.08 0.45 -1.67 1.01 -1.26 -4.76 120.40 115.29 2h45 s VAL 27 Ca 0.29 -0.30 0.18 0.00 0.00 0.00 0.00 61.98 62.15 2h45 s VAL 27 Cb 0.01 -2.77 0.36 0.00 0.00 0.00 0.00 36.38 33.97 2h45 s VAL 27 CO 0.21 0.52 1.94 0.77 0.00 0.00 0.00 175.10 178.54 2h45 h SER 28 N 6.31 0.30 0.00 3.32 4.64 -1.93 -3.44 113.55 122.75 2h45 h SER 28 Ca -0.37 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2h45 h SER 28 Cb 1.19 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2h45 h SER 28 CO 0.62 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 2h45 n ALA 29 N -2.55 0.00 -3.54 5.18 0.00 -1.26 -4.71 120.51 113.63 2h45 n ALA 29 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2h45 n ALA 29 Cb 0.53 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.47 -0.76 0.00 0.00 0.01 -1.26 -5.00 113.70 105.22 2h45 s SER 30 Ca 0.00 1.09 0.31 0.00 1.31 0.00 0.00 55.95 58.66 2h45 s SER 30 Cb 0.00 1.73 1.61 0.00 0.21 0.00 0.00 66.02 69.57 2h45 s SER 30 CO 0.00 -0.16 2.09 0.47 0.41 0.00 0.00 173.24 176.05 2h45 n ASP 31 N 4.80 0.04 -0.11 2.44 8.00 -1.26 -2.83 116.55 127.63 2h45 n ASP 31 Ca -0.13 -0.41 0.14 0.00 0.71 0.00 0.00 54.79 55.10 2h45 n ASP 31 Cb 0.53 -0.19 0.56 0.00 -0.02 0.00 0.00 41.12 42.00 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 -1.18 0.00 -1.93 -3.53 -2.24 -1.26 -4.88 114.28 99.26 2h45 n THR 32 Ca 0.17 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 2h45 n THR 32 Cb 0.21 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.56 2.36 -0.39 2.28 0.11 -1.13 -3.15 120.40 117.92 2h45 s VAL 33 Ca 0.26 0.34 0.23 0.00 -2.93 0.00 0.00 61.98 59.88 2h45 s VAL 33 Cb 0.20 -3.22 -0.14 0.00 -1.53 0.00 0.00 36.38 31.69 2h45 s VAL 33 CO 0.50 0.08 0.90 -1.20 -3.33 0.00 0.00 175.10 172.05 2h45 n SER 34 N 1.00 0.54 0.00 3.54 7.64 1.16 -4.61 113.62 122.89 2h45 n SER 34 Ca 0.02 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2h45 n SER 34 Cb 0.40 0.98 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 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 1.30 -0.84 3.26 0.23 0.00 -1.14 -3.16 105.19 104.84 2h45 n GLY 35 Ca 0.00 -1.01 -0.21 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 1.61 -0.10 1.61 0.08 0.35 0.32 117.98 119.86 2h45 s PHE 36 Ca 0.00 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.59 2h45 s PHE 36 Cb 0.00 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 2h45 s PHE 36 CO 0.00 0.19 -0.06 0.50 -0.10 0.00 0.00 175.22 175.74 2h45 s ARG 37 N -2.14 1.34 -0.15 0.44 3.52 0.12 0.37 118.95 122.45 2h45 s ARG 37 Ca 0.07 -0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 2h45 s ARG 37 Cb -0.08 -1.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.85 2h45 s ARG 37 CO 0.04 -0.24 -0.00 0.08 -0.81 0.00 0.00 175.30 174.37 2h45 s VAL 38 N 1.64 4.23 -0.07 7.11 1.01 0.86 -0.48 120.40 134.70 2h45 s VAL 38 Ca 0.03 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2h45 s VAL 38 Cb -0.13 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2h45 s VAL 38 CO -0.06 0.51 -0.23 -0.70 0.00 0.00 0.00 175.10 174.61 2h45 s GLU 39 N 0.10 2.56 -0.02 2.72 2.12 -0.10 0.25 118.70 126.34 2h45 s GLU 39 Ca 0.01 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2h45 s GLU 39 Cb -0.13 -2.10 0.03 0.00 0.26 0.00 0.00 34.13 32.19 2h45 s GLU 39 CO 0.02 0.30 0.02 1.52 -0.54 0.00 0.00 175.26 176.57 2h45 s TYR 40 N 0.03 0.15 0.09 5.30 1.13 -0.77 -1.16 117.35 122.12 2h45 s TYR 40 Ca -0.08 0.07 -0.04 0.00 -1.41 0.00 0.00 57.07 55.61 2h45 s TYR 40 Cb -0.15 -0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.39 2h45 s TYR 40 CO 0.05 -0.10 0.08 -1.83 -2.51 0.00 0.00 175.55 171.24 2h45 s GLU 41 N 0.99 0.80 0.11 -3.49 -1.05 -1.02 -2.72 118.70 112.32 2h45 s GLU 41 Ca -0.09 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.24 2h45 s GLU 41 Cb -0.13 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.77 2h45 s GLU 41 CO -0.02 -0.22 1.14 -0.51 0.95 0.00 0.00 175.26 176.60 2h45 s LEU 42 N -2.93 4.42 0.22 1.83 1.43 -1.26 -0.28 118.68 122.11 2h45 s LEU 42 Ca 0.11 2.03 0.26 0.00 -1.03 0.00 0.00 54.13 55.49 2h45 s LEU 42 Cb 0.07 -3.59 0.85 0.00 0.03 0.00 0.00 46.19 43.55 2h45 s LEU 42 CO -0.07 -0.35 1.77 -1.54 0.23 0.00 0.00 176.35 176.39 2h45 n SER 43 N 3.22 0.77 0.00 2.29 3.41 0.70 -2.01 113.62 122.00 2h45 n SER 43 Ca 0.06 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2h45 n SER 43 Cb 0.47 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2h45 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h45 n GLU 44 N -2.25 0.00 -0.01 4.33 1.02 -1.26 -4.69 120.64 117.78 2h45 n GLU 44 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2h45 n GLU 44 Cb 0.39 -0.25 0.30 0.00 -0.02 0.00 0.00 31.44 31.85 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 0.54 0.00 3.49 5.08 -1.92 -3.46 114.58 118.31 2h45 h GLU 45 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2h45 h GLU 45 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2h45 h GLU 45 CO 0.00 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 178.97 2h45 n GLY 46 N -0.92 1.55 3.30 -3.84 0.00 -0.85 -4.97 105.19 99.46 2h45 n GLY 46 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.72 0.00 -4.73 1.61 2.03 -1.26 -4.11 116.55 111.81 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 3.66 0.39 -0.67 -1.05 -1.26 -4.93 118.70 114.83 2h45 s GLU 48 Ca 0.00 -0.27 -0.27 0.00 -0.15 0.00 0.00 54.97 54.28 2h45 s GLU 48 Cb 0.00 -3.16 -0.09 0.00 -0.44 0.00 0.00 34.13 30.44 2h45 s GLU 48 CO 0.00 0.51 1.29 -1.25 0.95 0.00 0.00 175.26 176.76 2h45 s PRO 49 N -0.30 4.08 0.05 -4.83 0.04 -1.26 -4.87 135.00 127.90 2h45 s PRO 49 Ca 0.09 2.13 0.08 0.00 0.04 0.00 0.00 61.00 63.35 2h45 s PRO 49 Cb -0.12 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 2h45 s PRO 49 CO 0.01 -0.39 -0.22 -0.65 0.04 0.00 0.00 177.00 175.79 2h45 s GLN 50 N -2.13 1.92 -0.03 4.56 -0.21 -1.10 -4.99 119.66 117.68 2h45 s GLN 50 Ca 0.55 -1.05 0.05 0.00 0.02 0.00 0.00 55.36 54.93 2h45 s GLN 50 Cb -0.38 -2.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 2h45 s GLN 50 CO 0.49 0.52 -0.19 0.71 -2.12 0.00 0.00 175.29 174.70 2h45 s TYR 51 N -0.87 1.77 -0.14 0.91 2.02 -1.26 -1.85 117.35 117.94 2h45 s TYR 51 Ca 0.13 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2h45 s TYR 51 Cb -0.10 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.28 2h45 s TYR 51 CO 0.04 -0.11 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.22 2h45 s LEU 52 N -0.19 2.41 -0.19 -1.29 1.43 0.14 -4.92 118.68 116.06 2h45 s LEU 52 Ca 0.01 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 2h45 s LEU 52 Cb -0.10 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2h45 s LEU 52 CO 0.01 0.12 0.12 -1.81 0.23 0.00 0.00 176.35 175.02 2h45 s ASP 53 N 0.61 6.15 0.14 2.29 1.01 -1.26 -0.10 116.67 125.50 2h45 s ASP 53 Ca -0.10 0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.46 2h45 s ASP 53 Cb -0.16 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 2h45 s ASP 53 CO 0.03 0.21 -0.14 -0.76 0.21 0.00 0.00 175.17 174.72 2h45 s LEU 54 N 0.20 2.43 0.73 1.23 1.43 0.16 -4.96 118.68 119.90 2h45 s LEU 54 Ca 0.08 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 2h45 s LEU 54 Cb -0.11 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.59 2h45 s LEU 54 CO -0.01 -0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 2h45 s PRO 55 N -2.89 2.52 0.20 1.29 0.04 -1.26 0.13 135.00 135.02 2h45 s PRO 55 Ca 0.11 1.19 0.12 0.00 0.04 0.00 0.00 61.00 62.47 2h45 s PRO 55 Cb -0.04 -1.93 0.68 0.00 0.04 0.00 0.00 34.50 33.25 2h45 s PRO 55 CO 0.03 -1.44 1.36 -1.13 0.04 0.00 0.00 177.00 175.86 2h45 n SER 56 N -3.15 0.32 0.00 6.66 3.41 -1.19 0.26 113.62 119.93 2h45 n SER 56 Ca 0.09 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2h45 n SER 56 Cb 0.53 -0.66 0.23 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.93 0.01 -2.91 6.66 -2.24 -1.26 -4.87 114.28 107.74 2h45 n THR 57 Ca -0.01 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 2h45 n THR 57 Cb 0.06 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.01 3.33 0.00 6.98 0.00 0.14 -4.93 121.76 124.28 2h45 s ALA 58 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2h45 s ALA 58 Cb 0.17 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2h45 s ALA 58 CO 0.71 0.04 0.70 0.25 0.00 0.00 0.00 175.76 177.47 2h45 n THR 59 N 2.76 0.49 -3.58 0.00 -2.24 -1.26 -4.89 114.28 105.56 2h45 n THR 59 Ca -0.01 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 2h45 n THR 59 Cb 0.50 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.49 -0.49 -0.01 3.42 1.04 -1.26 -1.07 113.70 114.84 2h45 s SER 60 Ca 0.00 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 56.96 2h45 s SER 60 Cb 0.00 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.72 2h45 s SER 60 CO 0.00 -0.36 0.28 0.54 0.98 0.00 0.00 173.24 174.69 2h45 s VAL 61 N -0.72 0.06 -0.19 5.02 0.11 -0.68 -5.00 120.40 118.99 2h45 s VAL 61 Ca -0.03 -0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 58.41 2h45 s VAL 61 Cb -0.02 -0.62 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 2h45 s VAL 61 CO 0.02 -0.29 0.10 0.21 -3.33 0.00 0.00 175.10 171.81 2h45 s ASN 62 N -1.40 5.99 -0.54 3.54 3.04 -1.26 -2.26 114.94 122.04 2h45 s ASN 62 Ca -0.13 0.18 -0.08 0.00 0.04 0.00 0.00 52.86 52.87 2h45 s ASN 62 Cb -0.05 -2.03 0.14 0.00 -1.54 0.00 0.00 41.25 37.76 2h45 s ASN 62 CO 0.03 0.19 0.41 -0.63 -3.04 0.00 0.00 177.10 174.06 2h45 s ILE 63 N 0.29 4.25 0.13 -5.21 1.01 0.15 -4.92 121.20 116.90 2h45 s ILE 63 Ca 0.06 -2.10 -0.01 0.00 0.00 0.00 0.00 60.65 58.60 2h45 s ILE 63 Cb -0.12 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.61 2h45 s ILE 63 CO -0.01 -0.82 0.18 -0.81 0.00 0.00 0.00 174.94 173.47 2h45 n PRO 64 N 4.51 0.22 -3.12 2.79 -0.04 -1.26 -1.55 135.00 136.56 2h45 n PRO 64 Ca -0.02 -0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 62.83 2h45 n PRO 64 Cb 0.41 -0.15 0.03 0.00 -0.04 0.00 0.00 33.50 33.76 2h45 n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2h45 n ASP 65 N -3.04 -5.84 -4.83 3.54 8.00 -1.26 -4.92 116.55 108.19 2h45 n ASP 65 Ca 0.03 -0.33 -0.37 0.00 0.71 0.00 0.00 54.79 54.83 2h45 n ASP 65 Cb 0.09 -4.72 -0.06 0.00 -0.02 0.00 0.00 41.12 36.42 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 -6.73 4.44 -0.40 0.64 1.43 -0.46 -5.04 118.68 112.58 2h45 s LEU 66 Ca 0.34 1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 54.30 2h45 s LEU 66 Cb -0.16 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.10 2h45 s LEU 66 CO 0.42 0.22 0.99 -0.76 0.23 0.00 0.00 176.35 177.45 2h45 s LEU 67 N -1.45 3.91 0.37 1.79 1.43 -1.26 -4.15 118.68 119.32 2h45 s LEU 67 Ca 0.31 0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 53.71 2h45 s LEU 67 Cb -0.17 -3.35 -0.12 0.00 0.03 0.00 0.00 46.19 42.58 2h45 s LEU 67 CO 0.18 -0.97 1.18 -2.65 0.23 0.00 0.00 176.35 174.32 2h45 n PRO 68 N 7.07 1.79 -1.03 1.29 -0.02 -1.26 -2.37 135.00 140.46 2h45 n PRO 68 Ca 0.09 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 2h45 n PRO 68 Cb 0.48 -2.20 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.94 0.44 3.30 -1.23 0.00 -1.26 -5.04 105.19 102.34 2h45 n GLY 69 Ca 0.07 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.08 1.41 -0.19 1.61 1.81 -1.00 -4.95 118.95 115.56 2h45 s ARG 70 Ca 0.00 -1.10 -0.09 0.00 -1.72 0.00 0.00 55.73 52.82 2h45 s ARG 70 Cb 0.00 -1.64 -0.05 0.00 -0.45 0.00 0.00 34.95 32.82 2h45 s ARG 70 CO 0.00 0.41 0.13 0.21 -0.68 0.00 0.00 175.30 175.36 2h45 s LYS 71 N -1.52 4.07 0.18 3.54 2.20 -1.26 -1.85 119.74 125.10 2h45 s LYS 71 Ca 0.09 -0.21 0.11 0.00 -0.36 0.00 0.00 55.97 55.60 2h45 s LYS 71 Cb -0.10 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2h45 s LYS 71 CO 0.03 0.37 -0.23 0.71 -0.36 0.00 0.00 175.35 175.87 2h45 s TYR 72 N 0.15 2.19 -0.21 4.03 1.51 -0.13 -0.22 117.35 124.67 2h45 s TYR 72 Ca 0.09 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 2h45 s TYR 72 Cb -0.11 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 2h45 s TYR 72 CO -0.01 0.45 0.01 0.42 -1.11 0.00 0.00 175.55 175.30 2h45 s ILE 73 N -1.67 3.98 -0.12 2.71 1.01 0.62 -1.09 121.20 126.63 2h45 s ILE 73 Ca 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 2h45 s ILE 73 Cb -0.08 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2h45 s ILE 73 CO 0.09 0.42 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 2h45 s VAL 74 N 1.07 3.24 -0.06 2.92 1.01 0.16 -2.45 120.40 126.30 2h45 s VAL 74 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2h45 s VAL 74 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2h45 s VAL 74 CO 0.02 0.53 -0.03 0.20 0.00 0.00 0.00 175.10 175.82 2h45 s ASN 75 N 0.18 1.20 -0.16 3.32 0.01 -0.31 -0.48 114.94 118.70 2h45 s ASN 75 Ca -0.06 -0.12 -0.05 0.00 -0.71 0.00 0.00 52.86 51.91 2h45 s ASN 75 Cb -0.15 -0.46 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 2h45 s ASN 75 CO 0.04 -0.10 0.01 -0.69 -1.51 0.00 0.00 177.10 174.86 2h45 s VAL 76 N 1.29 4.35 -0.04 1.60 1.01 0.20 -0.92 120.40 127.89 2h45 s VAL 76 Ca -0.05 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2h45 s VAL 76 Cb -0.14 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 2h45 s VAL 76 CO -0.02 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.05 2h45 s TYR 77 N 0.26 1.99 -0.16 5.22 2.02 0.37 -1.40 117.35 125.65 2h45 s TYR 77 Ca 0.00 -0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 56.10 2h45 s TYR 77 Cb -0.13 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 2h45 s TYR 77 CO 0.02 -0.15 0.12 1.14 -1.57 0.00 0.00 175.55 175.11 2h45 s GLN 78 N -0.17 3.78 -0.24 -0.62 -2.07 -0.78 0.12 119.66 119.68 2h45 s GLN 78 Ca -0.00 -0.21 -0.13 0.00 -1.82 0.00 0.00 55.36 53.19 2h45 s GLN 78 Cb -0.11 -3.26 -0.04 0.00 -1.09 0.00 0.00 33.01 28.50 2h45 s GLN 78 CO 0.02 0.52 0.27 0.42 -1.32 0.00 0.00 175.29 175.20 2h45 s ILE 79 N -0.29 5.27 0.76 3.63 1.01 0.15 -2.47 121.20 129.27 2h45 s ILE 79 Ca 0.11 0.41 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 2h45 s ILE 79 Cb -0.12 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.83 2h45 s ILE 79 CO 0.01 0.27 1.10 -0.94 0.00 0.00 0.00 174.94 175.38 2h45 s SER 80 N 1.24 4.54 0.62 3.58 1.04 -0.24 0.37 113.70 124.85 2h45 s SER 80 Ca 0.12 0.52 0.39 0.00 0.48 0.00 0.00 55.95 57.46 2h45 s SER 80 Cb -0.15 -1.05 2.08 0.00 0.10 0.00 0.00 66.02 67.01 2h45 s SER 80 CO 0.07 -1.81 2.27 -0.33 0.98 0.00 0.00 173.24 174.42 2h45 h GLU 81 N -0.84 0.00 -0.02 4.02 5.08 -1.89 0.06 114.58 121.00 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 0.60 0.01 -0.05 -0.40 -1.00 0.00 0.00 179.01 178.17 2h45 n ASP 82 N -3.27 1.60 0.00 1.42 5.68 -1.26 -4.92 116.55 115.80 2h45 n ASP 82 Ca -0.02 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 2h45 n ASP 82 Cb 0.12 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.22 0.69 3.79 6.12 0.00 0.01 -5.05 105.19 111.97 2h45 n GLY 83 Ca 0.17 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.39 4.49 -0.04 1.61 0.41 -1.26 -4.78 118.70 118.75 2h45 s GLU 84 Ca 0.00 1.08 -0.01 0.00 -0.41 0.00 0.00 54.97 55.64 2h45 s GLU 84 Cb 0.00 -3.19 -0.04 0.00 -1.78 0.00 0.00 34.13 29.13 2h45 s GLU 84 CO 0.00 0.54 0.03 -0.65 -0.49 0.00 0.00 175.26 174.70 2h45 s GLN 85 N -1.30 2.96 -0.03 1.61 -0.21 -1.26 -1.08 119.66 120.37 2h45 s GLN 85 Ca 0.37 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 55.27 2h45 s GLN 85 Cb -0.22 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.02 2h45 s GLN 85 CO 0.25 0.66 -0.02 0.45 -2.12 0.00 0.00 175.29 174.51 2h45 s SER 86 N -1.37 0.57 -0.18 5.90 0.15 -1.03 -4.93 113.70 112.82 2h45 s SER 86 Ca 0.18 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.47 2h45 s SER 86 Cb -0.12 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 2h45 s SER 86 CO 0.08 -0.05 1.40 -0.22 1.20 0.00 0.00 173.24 175.65 2h45 s LEU 87 N 0.73 4.11 -0.04 3.45 2.96 -1.26 -1.87 118.68 126.76 2h45 s LEU 87 Ca -0.08 1.70 0.11 0.00 -0.22 0.00 0.00 54.13 55.64 2h45 s LEU 87 Cb -0.11 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.88 2h45 s LEU 87 CO -0.01 -0.92 0.19 2.30 -1.32 0.00 0.00 176.35 176.59 2h45 n ILE 88 N 5.70 0.21 -3.66 6.68 -5.35 -0.49 -4.98 119.36 117.47 2h45 n ILE 88 Ca 0.15 -0.32 -0.06 0.00 -0.27 0.00 0.00 62.75 62.25 2h45 n ILE 88 Cb 0.45 -0.04 -0.08 0.00 -1.74 0.00 0.00 39.64 38.23 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 -0.75 -0.17 7.28 2.96 -1.21 -4.89 118.68 117.81 2h45 s LEU 89 Ca -0.05 1.19 -0.02 0.00 -0.22 0.00 0.00 54.13 55.04 2h45 s LEU 89 Cb 0.06 1.70 0.05 0.00 0.50 0.00 0.00 46.19 48.50 2h45 s LEU 89 CO 0.47 -0.22 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.72 2h45 s SER 90 N 2.49 2.77 0.15 3.68 0.15 -1.26 0.60 113.70 122.29 2h45 s SER 90 Ca -0.04 -0.69 -0.13 0.00 0.70 0.00 0.00 55.95 55.79 2h45 s SER 90 Cb -0.11 -0.73 0.01 0.00 -1.71 0.00 0.00 66.02 63.48 2h45 s SER 90 CO -0.15 -0.24 0.35 0.28 1.20 0.00 0.00 173.24 174.68 2h45 s THR 91 N 1.76 0.07 0.18 6.45 -1.32 0.37 -5.01 115.64 118.15 2h45 s THR 91 Ca 0.00 -1.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.58 2h45 s THR 91 Cb -0.16 -1.51 -0.04 0.00 -1.51 0.00 0.00 72.50 69.28 2h45 s THR 91 CO -0.07 -0.33 -0.15 -0.94 -2.21 0.00 0.00 174.62 170.92 2h45 s SER 92 N -2.88 3.95 0.07 8.08 1.04 -1.26 0.38 113.70 123.07 2h45 s SER 92 Ca 0.09 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.85 2h45 s SER 92 Cb 0.02 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 2h45 s SER 92 CO -0.06 0.11 -0.06 -1.10 0.98 0.00 0.00 173.24 173.11 2h45 s GLN 93 N -2.76 0.67 -0.26 4.02 -0.21 -0.25 -4.96 119.66 115.91 2h45 s GLN 93 Ca 0.23 -1.07 0.02 0.00 0.02 0.00 0.00 55.36 54.56 2h45 s GLN 93 Cb -0.08 -0.17 0.06 0.00 1.00 0.00 0.00 33.01 33.81 2h45 s GLN 93 CO 0.13 -0.00 -0.08 0.99 -2.12 0.00 0.00 175.29 174.20 2h45 s THR 94 N -2.72 1.96 -1.16 -0.19 2.01 -1.26 -0.96 115.64 113.31 2h45 s THR 94 Ca 0.02 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.49 2h45 s THR 94 Cb -0.01 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.37 2h45 s THR 94 CO -0.03 -0.08 0.29 0.35 -0.69 0.00 0.00 174.62 174.46