#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 0.58 -2.71 1.61 -0.02 -1.26 -4.98 135.00 128.23 2h45 n PRO 2 Ca 0.00 0.27 -0.37 0.00 -2.02 0.00 0.00 63.50 61.37 2h45 n PRO 2 Cb 0.00 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 30.96 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h45 s LEU 3 N -4.93 4.36 0.00 2.45 1.43 -1.26 -4.77 118.68 115.96 2h45 s LEU 3 Ca 0.77 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2h45 s LEU 3 Cb -0.33 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2h45 s LEU 3 CO 0.46 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.53 2h45 n GLY 4 N 0.68 1.01 4.12 -3.19 0.00 -1.26 -5.00 105.19 101.55 2h45 n GLY 4 Ca 0.02 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 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 0.40 -2.16 -0.05 1.61 3.41 -1.26 -4.84 113.62 110.73 2h45 n SER 5 Ca 0.00 -1.23 -0.13 0.00 -0.26 0.00 0.00 58.87 57.26 2h45 n SER 5 Cb 0.00 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.40 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 -2.09 0.36 -0.58 7.33 -0.00 -1.97 -3.44 115.15 114.76 2h45 h HIS 6 Ca -0.66 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 59.62 2h45 h HIS 6 Cb 1.32 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2h45 h HIS 6 CO 0.40 0.66 0.00 1.28 -0.00 0.00 0.00 177.93 180.26 2h45 n LEU 7 N -4.63 0.00 -4.58 2.43 7.99 -1.26 -4.92 117.00 112.02 2h45 n LEU 7 Ca -0.06 0.00 -0.50 0.00 -0.01 0.00 0.00 56.01 55.44 2h45 n LEU 7 Cb 0.31 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.57 2h45 n LEU 7 CO 0.38 0.00 0.79 1.33 -1.51 0.00 0.00 177.39 178.38 2h45 n VAL 8 N 0.00 0.55 -1.50 4.08 0.24 -1.26 -4.87 118.33 115.56 2h45 n VAL 8 Ca 0.00 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.34 61.80 2h45 n VAL 8 Cb 0.00 -0.85 0.08 0.00 -1.47 0.00 0.00 33.84 31.61 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 1.91 0.40 0.72 2.33 0.00 -1.26 -4.81 120.51 119.79 2h45 n ALA 9 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2h45 n ALA 9 Cb 0.23 -2.22 0.25 0.00 0.00 0.00 0.00 19.45 17.71 2h45 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2h45 n THR 10 N -2.29 0.00 -3.83 0.00 -2.24 -1.26 -4.65 114.28 100.01 2h45 n THR 10 Ca 0.14 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.56 2h45 n THR 10 Cb 0.49 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 2h45 n THR 10 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2h45 s SER 11 N -1.90 6.39 0.47 3.42 0.15 -1.26 -5.09 113.70 115.87 2h45 s SER 11 Ca 0.13 0.46 -0.20 0.00 0.70 0.00 0.00 55.95 57.03 2h45 s SER 11 Cb 0.06 -2.09 -0.09 0.00 -1.71 0.00 0.00 66.02 62.19 2h45 s SER 11 CO 0.10 0.36 1.00 -0.70 1.20 0.00 0.00 173.24 175.20 2h45 s GLU 12 N -0.78 3.95 0.00 5.44 2.56 -1.26 -4.92 118.70 123.69 2h45 s GLU 12 Ca 0.14 1.26 0.17 0.00 0.00 0.00 0.00 54.97 56.54 2h45 s GLU 12 Cb -0.12 -2.13 0.83 0.00 2.00 0.00 0.00 34.13 34.71 2h45 s GLU 12 CO 0.04 -0.29 1.52 0.43 -0.56 0.00 0.00 175.26 176.40 2h45 n SER 13 N -0.89 0.00 -4.19 -1.70 7.64 -1.26 -4.68 113.62 108.54 2h45 n SER 13 Ca 0.08 0.17 -0.24 0.00 1.01 0.00 0.00 58.87 59.89 2h45 n SER 13 Cb 0.53 -0.35 -0.14 0.00 -1.01 0.00 0.00 64.21 63.24 2h45 n SER 13 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2h45 s VAL 14 N -2.69 1.43 0.10 0.44 0.11 -1.26 -3.26 120.40 115.27 2h45 s VAL 14 Ca 0.14 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 2h45 s VAL 14 Cb 0.11 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2h45 s VAL 14 CO 0.28 0.22 0.00 0.41 -3.33 0.00 0.00 175.10 172.68 2h45 n THR 15 N 2.15 0.00 -0.17 5.04 -1.04 -1.26 -4.87 114.28 114.13 2h45 n THR 15 Ca -0.16 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.83 2h45 n THR 15 Cb 0.54 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.63 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 -2.79 0.34 -0.39 -2.82 -0.58 -1.26 -4.36 120.64 108.77 2h45 n GLU 16 Ca 0.00 -0.12 0.32 0.00 -0.42 0.00 0.00 57.16 56.93 2h45 n GLU 16 Cb 0.00 -1.52 0.59 0.00 -0.57 0.00 0.00 31.44 29.94 2h45 n GLU 16 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2h45 h ILE 17 N 2.36 0.21 -1.25 -3.67 2.04 -1.89 -3.14 117.51 112.18 2h45 h ILE 17 Ca 0.02 -0.06 -0.78 0.00 1.00 0.00 0.00 64.86 65.04 2h45 h ILE 17 Cb 0.28 0.03 0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2h45 h ILE 17 CO 0.25 0.03 0.50 1.07 0.00 0.00 0.00 178.15 180.00 2h45 n THR 18 N -4.78 0.06 -1.17 -0.27 5.66 -1.26 0.22 114.28 112.74 2h45 n THR 18 Ca 0.34 -0.01 -0.05 0.00 -3.05 0.00 0.00 64.05 61.28 2h45 n THR 18 Cb 1.25 -0.56 -0.02 0.00 -1.55 0.00 0.00 70.33 69.44 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 3.25 -0.08 -2.03 1.79 0.00 -1.26 -2.95 120.51 119.22 2h45 n ALA 19 Ca 0.24 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 2h45 n ALA 19 Cb 0.07 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 1.12 -4.87 -3.07 0.00 3.41 0.60 -2.03 113.62 108.78 2h45 n SER 20 Ca -0.05 0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.63 2h45 n SER 20 Cb 0.18 -4.20 0.13 0.00 -0.26 0.00 0.00 64.21 60.06 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 -1.52 -2.55 -3.76 4.04 3.41 -1.05 -4.60 113.62 107.59 2h45 n SER 21 Ca -0.19 -0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 57.73 2h45 n SER 21 Cb 0.62 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.67 -0.22 -0.32 7.33 0.08 -1.00 -4.56 117.98 117.62 2h45 s PHE 22 Ca 0.33 0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.79 2h45 s PHE 22 Cb -0.05 0.11 0.08 0.00 -0.57 0.00 0.00 43.02 42.59 2h45 s PHE 22 CO 0.27 -0.36 0.01 0.08 -0.10 0.00 0.00 175.22 175.12 2h45 s VAL 23 N -1.06 2.42 -0.09 -0.44 1.01 -1.20 -0.18 120.40 120.85 2h45 s VAL 23 Ca -0.11 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 59.86 2h45 s VAL 23 Cb -0.05 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2h45 s VAL 23 CO 0.04 -0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 173.95 2h45 s VAL 24 N 1.02 3.37 0.13 2.92 1.01 -0.75 -4.34 120.40 123.76 2h45 s VAL 24 Ca 0.03 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.53 2h45 s VAL 24 Cb -0.20 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2h45 s VAL 24 CO -0.06 0.56 -0.22 -0.94 0.00 0.00 0.00 175.10 174.43 2h45 s SER 25 N -0.27 2.89 0.35 3.32 1.04 -1.26 -1.52 113.70 118.24 2h45 s SER 25 Ca 0.03 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.74 2h45 s SER 25 Cb -0.13 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.80 2h45 s SER 25 CO 0.03 0.08 0.38 -1.66 0.98 0.00 0.00 173.24 173.05 2h45 s TRP 26 N -1.36 1.52 -0.12 5.02 -2.14 0.70 -4.97 118.94 117.58 2h45 s TRP 26 Ca 0.12 -1.54 0.02 0.00 2.66 0.00 0.00 56.10 57.35 2h45 s TRP 26 Cb -0.09 -0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 29.82 2h45 s TRP 26 CO 0.06 -1.01 -0.19 0.08 -2.66 0.00 0.00 176.95 173.23 2h45 s VAL 27 N -3.17 2.50 0.17 -0.66 1.01 -1.26 -4.75 120.40 114.23 2h45 s VAL 27 Ca 0.37 -0.86 -0.33 0.00 0.00 0.00 0.00 61.98 61.16 2h45 s VAL 27 Cb 0.01 -2.01 -0.15 0.00 0.00 0.00 0.00 36.38 34.23 2h45 s VAL 27 CO 0.26 0.54 1.29 -1.54 0.00 0.00 0.00 175.10 175.65 2h45 n SER 28 N 3.60 1.87 -0.64 3.32 3.41 -1.26 -4.87 113.62 119.06 2h45 n SER 28 Ca -0.19 1.13 0.06 0.00 -0.26 0.00 0.00 58.87 59.61 2h45 n SER 28 Cb 0.53 -1.28 0.16 0.00 -0.26 0.00 0.00 64.21 63.36 2h45 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h45 n ALA 29 N 1.99 2.32 -3.11 7.33 0.00 -1.26 -4.87 120.51 122.92 2h45 n ALA 29 Ca 0.15 -1.37 0.04 0.00 0.00 0.00 0.00 53.44 52.27 2h45 n ALA 29 Cb 0.25 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.19 -0.81 0.62 0.00 0.01 -1.26 -4.99 113.70 106.07 2h45 s SER 30 Ca 0.25 -0.00 0.27 0.00 1.31 0.00 0.00 55.95 57.78 2h45 s SER 30 Cb 0.16 1.42 1.35 0.00 0.21 0.00 0.00 66.02 69.15 2h45 s SER 30 CO 0.13 -0.14 1.77 -0.78 0.41 0.00 0.00 173.24 174.64 2h45 h ASP 31 N 7.20 0.00 0.00 2.44 1.82 -1.99 1.93 116.42 127.82 2h45 h ASP 31 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2h45 h ASP 31 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 2h45 h ASP 31 CO -0.01 0.00 0.00 0.35 -1.61 0.00 0.00 179.24 177.97 2h45 n THR 32 N -3.34 0.00 -1.95 2.25 -2.24 -1.26 -4.82 114.28 102.92 2h45 n THR 32 Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 2h45 n THR 32 Cb 0.72 -0.55 -0.02 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 -2.00 2.51 -0.52 2.28 0.11 0.65 -2.90 120.40 120.54 2h45 s VAL 33 Ca 0.30 0.43 0.23 0.00 -2.93 0.00 0.00 61.98 60.01 2h45 s VAL 33 Cb 0.14 -3.27 -0.15 0.00 -1.53 0.00 0.00 36.38 31.56 2h45 s VAL 33 CO 0.23 0.07 0.92 -1.20 -3.33 0.00 0.00 175.10 171.79 2h45 n SER 34 N 2.39 0.57 0.00 3.54 7.64 0.76 -4.59 113.62 123.93 2h45 n SER 34 Ca 0.07 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2h45 n SER 34 Cb 0.39 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 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 -1.01 3.29 0.23 0.00 -1.09 -2.97 105.19 105.00 2h45 n GLY 35 Ca 0.01 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 1.72 -0.05 1.61 0.08 0.39 0.03 117.98 119.76 2h45 s PHE 36 Ca 0.00 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2h45 s PHE 36 Cb 0.00 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2h45 s PHE 36 CO 0.00 0.24 -0.04 0.50 -0.10 0.00 0.00 175.22 175.82 2h45 s ARG 37 N -2.39 0.89 -0.14 0.44 3.52 0.15 0.62 118.95 122.05 2h45 s ARG 37 Ca 0.10 -0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.57 2h45 s ARG 37 Cb -0.07 -0.94 -0.03 0.00 -1.56 0.00 0.00 34.95 32.35 2h45 s ARG 37 CO 0.05 -0.12 -0.02 0.08 -0.81 0.00 0.00 175.30 174.48 2h45 s VAL 38 N 1.10 4.04 -0.11 7.11 1.01 0.92 -0.09 120.40 134.37 2h45 s VAL 38 Ca -0.08 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2h45 s VAL 38 Cb -0.14 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2h45 s VAL 38 CO -0.01 0.52 -0.16 -0.70 0.00 0.00 0.00 175.10 174.75 2h45 s GLU 39 N 0.02 2.35 -0.02 2.72 -6.30 -0.33 -0.81 118.70 116.33 2h45 s GLU 39 Ca 0.01 -0.61 -0.02 0.00 -2.50 0.00 0.00 54.97 51.85 2h45 s GLU 39 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 34.13 32.03 2h45 s GLU 39 CO 0.02 -0.05 0.05 1.52 0.02 0.00 0.00 175.26 176.83 2h45 s TYR 40 N 0.93 -0.05 0.24 5.30 1.13 -0.88 -1.25 117.35 122.77 2h45 s TYR 40 Ca -0.07 0.11 -0.10 0.00 -1.41 0.00 0.00 57.07 55.60 2h45 s TYR 40 Cb -0.15 0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 2h45 s TYR 40 CO -0.01 -0.03 0.41 -1.83 -2.51 0.00 0.00 175.55 171.57 2h45 s GLU 41 N -0.02 1.48 -0.01 -3.49 -1.05 -1.09 -1.90 118.70 112.61 2h45 s GLU 41 Ca -0.01 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.18 2h45 s GLU 41 Cb -0.01 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 2h45 s GLU 41 CO 0.00 -0.59 1.23 -0.51 0.95 0.00 0.00 175.26 176.34 2h45 s LEU 42 N -3.05 4.31 0.38 1.83 1.43 -1.26 -0.33 118.68 122.00 2h45 s LEU 42 Ca 0.26 1.92 0.06 0.00 -1.03 0.00 0.00 54.13 55.35 2h45 s LEU 42 Cb 0.01 -3.56 0.76 0.00 0.03 0.00 0.00 46.19 43.42 2h45 s LEU 42 CO 0.10 -0.57 1.97 0.77 0.23 0.00 0.00 176.35 178.85 2h45 h SER 43 N 7.32 0.44 0.00 2.29 4.64 -0.42 -3.34 113.55 124.48 2h45 h SER 43 Ca -0.37 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2h45 h SER 43 Cb 1.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2h45 h SER 43 CO 0.86 0.43 0.00 -0.62 -0.87 0.00 0.00 176.83 176.63 2h45 n GLU 44 N -4.38 0.00 -2.12 4.77 1.02 -1.26 -4.92 120.64 113.76 2h45 n GLU 44 Ca 0.02 0.16 -0.38 0.00 -0.02 0.00 0.00 57.16 56.94 2h45 n GLU 44 Cb 0.16 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 2h45 n GLU 44 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2h45 s GLU 45 N -0.46 3.72 -0.50 3.49 0.41 -1.25 -4.92 118.70 119.18 2h45 s GLU 45 Ca 0.00 1.97 -0.02 0.00 -0.41 0.00 0.00 54.97 56.51 2h45 s GLU 45 Cb 0.00 -2.49 0.29 0.00 -1.78 0.00 0.00 34.13 30.15 2h45 s GLU 45 CO 0.00 -0.64 2.12 0.41 -0.49 0.00 0.00 175.26 176.66 2h45 n GLY 46 N 0.58 4.89 3.49 -1.39 0.00 -1.26 -4.06 105.19 107.43 2h45 n GLY 46 Ca 0.07 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.12 -1.33 -4.77 1.61 9.92 -1.26 -4.89 116.55 115.71 2h45 n ASP 47 Ca 0.46 0.05 -0.41 0.00 -0.53 0.00 0.00 54.79 54.36 2h45 n ASP 47 Cb 0.58 -1.27 -0.02 0.00 -0.64 0.00 0.00 41.12 39.78 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2h45 s GLU 48 N -4.23 4.27 0.65 -1.24 1.03 -1.26 -4.74 118.70 113.18 2h45 s GLU 48 Ca 0.65 2.34 -0.14 0.00 0.03 0.00 0.00 54.97 57.85 2h45 s GLU 48 Cb -0.22 -3.05 -0.00 0.00 -0.80 0.00 0.00 34.13 30.06 2h45 s GLU 48 CO 0.64 -0.33 1.09 -1.25 -1.33 0.00 0.00 175.26 174.07 2h45 s PRO 49 N -1.61 2.92 -0.01 -4.83 0.04 -1.26 -4.89 135.00 125.35 2h45 s PRO 49 Ca 0.52 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.90 2h45 s PRO 49 Cb -0.42 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2h45 s PRO 49 CO 0.54 -1.14 -0.26 -0.65 0.04 0.00 0.00 177.00 175.54 2h45 s GLN 50 N -4.27 2.06 -0.00 4.56 -0.21 -0.80 -4.98 119.66 116.01 2h45 s GLN 50 Ca 0.64 -0.96 0.08 0.00 0.02 0.00 0.00 55.36 55.14 2h45 s GLN 50 Cb -0.18 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 2h45 s GLN 50 CO 0.43 0.55 -0.24 0.71 -2.12 0.00 0.00 175.29 174.62 2h45 s TYR 51 N -0.65 2.14 -0.09 0.91 2.02 -1.26 -2.07 117.35 118.36 2h45 s TYR 51 Ca 0.10 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2h45 s TYR 51 Cb -0.10 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2h45 s TYR 51 CO -0.00 0.01 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.40 2h45 s LEU 52 N -0.75 1.19 -0.15 -1.29 1.43 0.01 -4.94 118.68 114.19 2h45 s LEU 52 Ca 0.09 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 2h45 s LEU 52 Cb -0.09 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 2h45 s LEU 52 CO -0.00 -0.09 0.10 -1.81 0.23 0.00 0.00 176.35 174.78 2h45 s ASP 53 N 1.43 6.05 0.13 2.29 1.01 -1.26 -0.05 116.67 126.26 2h45 s ASP 53 Ca -0.01 0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.58 2h45 s ASP 53 Cb -0.13 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2h45 s ASP 53 CO -0.04 0.31 -0.09 -0.76 0.21 0.00 0.00 175.17 174.79 2h45 s LEU 54 N -0.42 2.51 0.74 1.23 1.43 0.20 -4.96 118.68 119.42 2h45 s LEU 54 Ca 0.11 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 2h45 s LEU 54 Cb -0.12 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.87 2h45 s LEU 54 CO 0.02 -0.36 1.08 -2.16 0.23 0.00 0.00 176.35 175.15 2h45 s PRO 55 N -3.65 2.58 0.36 1.29 0.04 -1.26 0.15 135.00 134.50 2h45 s PRO 55 Ca 0.14 1.05 0.25 0.00 0.04 0.00 0.00 61.00 62.47 2h45 s PRO 55 Cb 0.03 -1.94 1.29 0.00 0.04 0.00 0.00 34.50 33.92 2h45 s PRO 55 CO -0.01 -1.38 1.76 0.66 0.04 0.00 0.00 177.00 178.07 2h45 h SER 56 N -0.93 0.00 0.06 6.66 4.64 -1.78 0.12 113.55 122.32 2h45 h SER 56 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2h45 h SER 56 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2h45 h SER 56 CO 0.54 0.00 -0.05 0.35 -0.87 0.00 0.00 176.83 176.80 2h45 n THR 57 N -2.37 0.00 0.00 2.95 -2.24 -1.26 -4.85 114.28 106.51 2h45 n THR 57 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2h45 n THR 57 Cb 0.07 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2h45 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 n ALA 58 N -0.19 0.00 0.00 6.98 0.00 0.42 -5.00 120.51 122.72 2h45 n ALA 58 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2h45 n ALA 58 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2h45 n ALA 58 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2h45 n THR 59 N 0.00 0.00 -3.62 0.00 -2.24 -1.26 -4.94 114.28 102.22 2h45 n THR 59 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2h45 n THR 59 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.00 -0.60 0.05 3.42 1.04 -1.26 -0.22 113.70 116.14 2h45 s SER 60 Ca 0.00 1.07 -0.15 0.00 0.48 0.00 0.00 55.95 57.35 2h45 s SER 60 Cb 0.00 1.05 0.02 0.00 0.10 0.00 0.00 66.02 67.19 2h45 s SER 60 CO 0.00 -0.26 0.33 0.54 0.98 0.00 0.00 173.24 174.83 2h45 s VAL 61 N 0.03 0.08 -0.23 5.02 0.11 -0.58 -5.00 120.40 119.84 2h45 s VAL 61 Ca -0.00 -0.64 -0.07 0.00 -2.93 0.00 0.00 61.98 58.34 2h45 s VAL 61 Cb -0.04 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2h45 s VAL 61 CO -0.01 -0.36 0.06 0.21 -3.33 0.00 0.00 175.10 171.67 2h45 s ASN 62 N -2.13 5.17 -0.48 3.54 3.04 -1.26 -1.81 114.94 121.03 2h45 s ASN 62 Ca -0.04 -0.15 -0.18 0.00 0.04 0.00 0.00 52.86 52.53 2h45 s ASN 62 Cb -0.00 -1.91 0.05 0.00 -1.54 0.00 0.00 41.25 37.84 2h45 s ASN 62 CO -0.04 0.03 0.54 -0.63 -3.04 0.00 0.00 177.10 173.95 2h45 s ILE 63 N 1.25 4.99 0.70 -5.21 1.01 0.74 -4.92 121.20 119.77 2h45 s ILE 63 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2h45 s ILE 63 Cb -0.15 -4.20 0.12 0.00 0.01 0.00 0.00 42.46 38.24 2h45 s ILE 63 CO 0.03 -0.66 0.96 -2.16 0.00 0.00 0.00 174.94 173.11 2h45 s PRO 64 N 2.32 1.79 -1.42 2.79 0.04 -1.26 -2.36 135.00 136.90 2h45 s PRO 64 Ca 0.12 -1.14 -0.07 0.00 0.04 0.00 0.00 61.00 59.95 2h45 s PRO 64 Cb -0.20 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2h45 s PRO 64 CO 0.12 -1.35 0.98 -0.25 0.04 0.00 0.00 177.00 176.54 2h45 n ASP 65 N -2.75 -6.29 -4.84 6.66 8.00 -1.26 -4.96 116.55 111.10 2h45 n ASP 65 Ca 0.15 -0.45 -0.36 0.00 0.71 0.00 0.00 54.79 54.83 2h45 n ASP 65 Cb 0.61 -4.98 -0.06 0.00 -0.02 0.00 0.00 41.12 36.66 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 -7.05 4.40 -0.40 0.64 1.43 -0.86 -5.04 118.68 111.79 2h45 s LEU 66 Ca 0.49 1.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.34 2h45 s LEU 66 Cb -0.21 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.04 2h45 s LEU 66 CO 0.60 0.20 0.95 -0.76 0.23 0.00 0.00 176.35 177.57 2h45 s LEU 67 N -1.63 3.96 0.42 1.79 1.43 -1.26 -4.29 118.68 119.11 2h45 s LEU 67 Ca 0.32 0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 53.63 2h45 s LEU 67 Cb -0.16 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 2h45 s LEU 67 CO 0.18 -0.95 1.17 -2.65 0.23 0.00 0.00 176.35 174.33 2h45 n PRO 68 N 6.98 1.69 -1.08 1.29 -0.02 -1.26 -2.33 135.00 140.27 2h45 n PRO 68 Ca 0.07 0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 62.13 2h45 n PRO 68 Cb 0.48 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.95 0.60 3.33 -1.23 0.00 -1.24 -5.02 105.19 102.58 2h45 n GLY 69 Ca 0.08 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.79 1.26 -0.19 1.61 1.81 -0.99 -4.95 118.95 115.71 2h45 s ARG 70 Ca 0.00 -1.33 -0.09 0.00 -1.72 0.00 0.00 55.73 52.59 2h45 s ARG 70 Cb 0.00 -1.47 -0.05 0.00 -0.45 0.00 0.00 34.95 32.99 2h45 s ARG 70 CO 0.00 0.32 0.11 0.21 -0.68 0.00 0.00 175.30 175.26 2h45 s LYS 71 N -2.40 4.06 0.04 3.54 2.20 -1.26 -1.93 119.74 123.99 2h45 s LYS 71 Ca 0.13 -0.24 0.08 0.00 -0.36 0.00 0.00 55.97 55.58 2h45 s LYS 71 Cb -0.08 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2h45 s LYS 71 CO 0.06 0.34 -0.23 0.71 -0.36 0.00 0.00 175.35 175.87 2h45 s TYR 72 N 0.23 2.41 -0.22 4.03 1.51 0.19 0.34 117.35 125.85 2h45 s TYR 72 Ca 0.07 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.71 2h45 s TYR 72 Cb -0.11 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 2h45 s TYR 72 CO -0.01 0.17 0.08 0.42 -1.11 0.00 0.00 175.55 175.10 2h45 s ILE 73 N -0.85 4.69 -0.11 2.71 1.01 0.55 -0.84 121.20 128.35 2h45 s ILE 73 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2h45 s ILE 73 Cb -0.10 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2h45 s ILE 73 CO 0.03 0.39 -0.11 -0.69 0.00 0.00 0.00 174.94 174.56 2h45 s VAL 74 N 0.94 3.24 -0.05 2.92 1.01 0.21 -2.68 120.40 126.00 2h45 s VAL 74 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2h45 s VAL 74 Cb -0.14 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2h45 s VAL 74 CO 0.03 0.54 -0.03 0.20 0.00 0.00 0.00 175.10 175.83 2h45 s ASN 75 N 0.07 1.01 -0.19 3.32 0.01 -0.38 -0.24 114.94 118.53 2h45 s ASN 75 Ca -0.04 -0.12 -0.07 0.00 -0.71 0.00 0.00 52.86 51.92 2h45 s ASN 75 Cb -0.14 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.05 2h45 s ASN 75 CO 0.04 -0.08 0.06 -0.69 -1.51 0.00 0.00 177.10 174.92 2h45 s VAL 76 N 1.08 4.71 -0.03 1.60 1.01 0.14 -1.19 120.40 127.72 2h45 s VAL 76 Ca -0.09 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2h45 s VAL 76 Cb -0.14 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2h45 s VAL 76 CO -0.01 0.44 -0.25 -0.31 0.00 0.00 0.00 175.10 174.97 2h45 s TYR 77 N 0.56 2.39 -0.14 5.22 2.02 0.86 -1.62 117.35 126.64 2h45 s TYR 77 Ca 0.03 -0.51 -0.07 0.00 -0.37 0.00 0.00 57.07 56.15 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 -0.08 0.11 1.14 -1.57 0.00 0.00 175.55 175.17 2h45 s GLN 78 N -0.48 3.60 -0.25 -0.62 -2.07 -0.92 0.32 119.66 119.25 2h45 s GLN 78 Ca 0.06 -0.20 -0.11 0.00 -1.82 0.00 0.00 55.36 53.29 2h45 s GLN 78 Cb -0.11 -3.20 -0.05 0.00 -1.09 0.00 0.00 33.01 28.56 2h45 s GLN 78 CO 0.01 0.62 0.17 0.42 -1.32 0.00 0.00 175.29 175.18 2h45 s ILE 79 N -0.58 5.34 0.78 3.63 1.01 0.10 -2.73 121.20 128.75 2h45 s ILE 79 Ca 0.12 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 2h45 s ILE 79 Cb -0.12 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 38.94 2h45 s ILE 79 CO 0.02 0.31 1.12 -0.94 0.00 0.00 0.00 174.94 175.45 2h45 s SER 80 N 1.30 4.38 0.67 3.58 1.04 -0.13 0.27 113.70 124.81 2h45 s SER 80 Ca 0.07 0.46 0.42 0.00 0.48 0.00 0.00 55.95 57.38 2h45 s SER 80 Cb -0.14 -0.93 2.29 0.00 0.10 0.00 0.00 66.02 67.33 2h45 s SER 80 CO 0.07 -1.91 2.29 -0.33 0.98 0.00 0.00 173.24 174.33 2h45 h GLU 81 N -0.92 0.00 -0.02 4.02 4.39 -1.87 0.15 114.58 120.33 2h45 h GLU 81 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2h45 h GLU 81 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2h45 h GLU 81 CO 0.57 0.00 -0.02 -0.40 -1.16 0.00 0.00 179.01 178.00 2h45 n ASP 82 N -3.04 2.23 0.00 1.42 5.68 -1.26 -4.93 116.55 116.66 2h45 n ASP 82 Ca -0.03 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 2h45 n ASP 82 Cb 0.13 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 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 1.27 0.61 3.80 6.12 0.00 0.51 -5.05 105.19 112.45 2h45 n GLY 83 Ca 0.16 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.86 4.40 -0.01 1.61 0.41 -1.26 -4.76 118.70 118.23 2h45 s GLU 84 Ca 0.00 1.04 0.05 0.00 -0.41 0.00 0.00 54.97 55.65 2h45 s GLU 84 Cb 0.00 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.41 2h45 s GLU 84 CO 0.00 0.39 -0.13 -0.65 -0.49 0.00 0.00 175.26 174.37 2h45 s GLN 85 N -1.87 2.38 -0.02 1.61 -0.21 -1.26 -0.95 119.66 119.34 2h45 s GLN 85 Ca 0.44 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 55.03 2h45 s GLN 85 Cb -0.18 -2.35 0.01 0.00 1.00 0.00 0.00 33.01 31.49 2h45 s GLN 85 CO 0.23 0.59 -0.01 0.45 -2.12 0.00 0.00 175.29 174.43 2h45 s SER 86 N -1.14 0.30 -0.20 5.90 0.15 -1.11 -4.93 113.70 112.67 2h45 s SER 86 Ca 0.14 -0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.47 2h45 s SER 86 Cb -0.11 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 2h45 s SER 86 CO 0.04 -0.04 1.39 -0.22 1.20 0.00 0.00 173.24 175.61 2h45 s LEU 87 N 0.53 4.05 -0.03 3.45 2.96 -1.26 -2.15 118.68 126.22 2h45 s LEU 87 Ca -0.05 1.59 0.12 0.00 -0.22 0.00 0.00 54.13 55.57 2h45 s LEU 87 Cb -0.08 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.90 2h45 s LEU 87 CO -0.01 -0.98 0.22 2.30 -1.32 0.00 0.00 176.35 176.56 2h45 n ILE 88 N 5.85 0.14 -3.66 6.68 -5.35 -0.64 -4.99 119.36 117.39 2h45 n ILE 88 Ca 0.16 -0.31 -0.06 0.00 -0.27 0.00 0.00 62.75 62.26 2h45 n ILE 88 Cb 0.45 0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.33 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 -4.02 -0.77 -0.08 7.28 2.96 -1.21 -4.94 118.68 117.89 2h45 s LEU 89 Ca -0.05 1.31 -0.00 0.00 -0.22 0.00 0.00 54.13 55.17 2h45 s LEU 89 Cb 0.07 1.97 0.02 0.00 0.50 0.00 0.00 46.19 48.75 2h45 s LEU 89 CO 0.49 -0.22 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.70 2h45 s SER 90 N 2.11 1.75 0.10 3.68 0.15 -1.26 0.27 113.70 120.50 2h45 s SER 90 Ca -0.07 -0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 2h45 s SER 90 Cb -0.09 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.60 2h45 s SER 90 CO -0.17 -0.12 0.34 0.28 1.20 0.00 0.00 173.24 174.78 2h45 s THR 91 N 1.56 0.09 0.16 6.45 -1.32 0.66 -5.01 115.64 118.23 2h45 s THR 91 Ca 0.00 -0.70 0.10 0.00 -1.21 0.00 0.00 61.69 59.88 2h45 s THR 91 Cb -0.13 -1.15 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 2h45 s THR 91 CO -0.05 -0.39 -0.20 -0.94 -2.21 0.00 0.00 174.62 170.83 2h45 s SER 92 N -2.62 3.68 0.04 8.08 1.04 -1.26 0.67 113.70 123.33 2h45 s SER 92 Ca 0.01 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 2h45 s SER 92 Cb 0.02 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 2h45 s SER 92 CO -0.10 0.14 -0.01 -1.10 0.98 0.00 0.00 173.24 173.15 2h45 s GLN 93 N -2.47 0.53 -0.29 4.02 -0.21 -0.02 -4.96 119.66 116.26 2h45 s GLN 93 Ca 0.20 -1.00 0.02 0.00 0.02 0.00 0.00 55.36 54.60 2h45 s GLN 93 Cb -0.09 0.19 0.08 0.00 1.00 0.00 0.00 33.01 34.19 2h45 s GLN 93 CO 0.10 -0.10 -0.01 0.99 -2.12 0.00 0.00 175.29 174.16 2h45 s THR 94 N -3.12 1.87 -1.34 -0.19 2.01 -1.26 -0.63 115.64 112.97 2h45 s THR 94 Ca -0.00 -1.77 0.00 0.00 0.31 0.00 0.00 61.69 60.23 2h45 s THR 94 Cb 0.02 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 70.31 2h45 s THR 94 CO -0.07 -0.36 0.33 0.35 -0.69 0.00 0.00 174.62 174.19