#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 2.02 -3.32 1.61 -0.02 -1.26 -4.84 135.00 129.19 2h45 n PRO 2 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 2h45 n PRO 2 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 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 0.00 4.17 0.00 2.45 2.96 -1.26 -5.08 118.68 121.93 2h45 s LEU 3 Ca 0.00 0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2h45 s LEU 3 Cb 0.00 -2.61 0.09 0.00 0.50 0.00 0.00 46.19 44.16 2h45 s LEU 3 CO 0.00 -0.10 0.57 0.61 -1.32 0.00 0.00 176.35 176.10 2h45 n GLY 4 N 3.80 0.18 3.79 7.98 0.00 -1.26 -5.07 105.19 114.61 2h45 n GLY 4 Ca -0.07 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h45 s SER 5 N -3.23 5.12 0.14 1.61 1.04 -1.26 -4.99 113.70 112.12 2h45 s SER 5 Ca 0.36 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.61 2h45 s SER 5 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2h45 s SER 5 CO 0.24 -1.62 0.00 1.41 0.98 0.00 0.00 173.24 174.25 2h45 n HIS 6 N -2.84 -1.04 -1.66 5.02 8.25 -1.26 -4.94 115.22 116.76 2h45 n HIS 6 Ca 0.09 0.18 -0.01 0.00 -0.26 0.00 0.00 57.72 57.72 2h45 n HIS 6 Cb 0.53 0.38 -0.00 0.00 1.12 0.00 0.00 29.99 32.02 2h45 n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2h45 n LEU 7 N -3.07 -0.02 -0.43 2.41 4.32 -1.26 0.20 117.00 119.15 2h45 n LEU 7 Ca 0.00 0.24 -0.03 0.00 -0.02 0.00 0.00 56.01 56.20 2h45 n LEU 7 Cb 0.00 -0.56 -0.01 0.00 -1.62 0.00 0.00 43.42 41.23 2h45 n LEU 7 CO 0.00 0.00 -0.03 0.52 -1.22 0.00 0.00 177.39 176.66 2h45 n VAL 8 N -1.41 0.00 1.53 4.08 0.31 -1.26 -4.67 118.33 116.91 2h45 n VAL 8 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 2h45 n VAL 8 Cb 0.27 -0.57 0.77 0.00 -0.91 0.00 0.00 33.84 33.40 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h45 n ALA 9 N 0.29 2.47 -1.00 3.52 0.00 0.53 -4.80 120.51 121.51 2h45 n ALA 9 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2h45 n ALA 9 Cb 0.24 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.16 0.00 -0.45 0.00 -1.04 -1.22 -5.03 114.28 105.37 2h45 n THR 10 Ca 0.17 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.90 2h45 n THR 10 Cb 0.17 -1.84 0.27 0.00 -1.82 0.00 0.00 70.33 67.11 2h45 n THR 10 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2h45 s SER 11 N -1.08 0.56 0.11 8.00 1.04 -1.26 -4.84 113.70 116.22 2h45 s SER 11 Ca 0.00 1.51 -0.33 0.00 0.48 0.00 0.00 55.95 57.60 2h45 s SER 11 Cb 0.00 -2.33 -0.13 0.00 0.10 0.00 0.00 66.02 63.66 2h45 s SER 11 CO 0.00 -4.46 1.71 -0.62 0.98 0.00 0.00 173.24 170.85 2h45 n GLU 12 N -5.09 2.37 -0.03 4.02 -0.58 -1.26 -4.84 120.64 115.23 2h45 n GLU 12 Ca 0.02 0.86 0.13 0.00 -0.42 0.00 0.00 57.16 57.75 2h45 n GLU 12 Cb 0.54 -2.68 0.47 0.00 -0.57 0.00 0.00 31.44 29.21 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 4.63 1.58 -4.24 1.62 7.64 -1.26 -4.85 113.62 118.74 2h45 n SER 13 Ca 0.18 -1.57 -0.26 0.00 1.01 0.00 0.00 58.87 58.24 2h45 n SER 13 Cb 0.31 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.93 1.62 0.00 0.44 0.11 -1.26 -4.91 120.40 114.47 2h45 s VAL 14 Ca 0.36 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2h45 s VAL 14 Cb 0.20 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 2h45 s VAL 14 CO 0.31 0.25 0.00 0.41 -3.33 0.00 0.00 175.10 172.75 2h45 n THR 15 N 2.02 0.00 -1.81 5.04 -1.04 -1.26 -4.91 114.28 112.33 2h45 n THR 15 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2h45 n THR 15 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 0.00 -0.76 0.00 -2.82 4.71 -1.26 -4.55 120.64 115.95 2h45 n GLU 16 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.22 2h45 n GLU 16 Cb 0.00 0.00 0.40 0.00 -1.01 0.00 0.00 31.44 30.83 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 -0.71 0.43 -2.13 -3.67 5.41 -1.26 -2.60 119.36 114.83 2h45 n ILE 17 Ca 0.00 0.11 -0.41 0.00 1.00 0.00 0.00 62.75 63.45 2h45 n ILE 17 Cb 0.00 -0.86 -0.02 0.00 -0.71 0.00 0.00 39.64 38.05 2h45 n ILE 17 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2h45 s THR 18 N -2.43 2.76 -1.08 1.39 2.01 -1.26 -0.79 115.64 116.24 2h45 s THR 18 Ca 0.17 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2h45 s THR 18 Cb 0.10 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2h45 s THR 18 CO 0.22 0.18 0.00 0.00 -0.69 0.00 0.00 174.62 174.32 2h45 n ALA 19 N 0.94 -0.15 -2.91 7.40 0.00 -1.26 -1.39 120.51 123.14 2h45 n ALA 19 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 2h45 n ALA 19 Cb 0.42 -1.55 0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.78 -6.00 -4.64 0.00 3.41 0.03 -1.72 113.62 103.92 2h45 n SER 20 Ca -0.10 -0.23 -0.30 0.00 -0.26 0.00 0.00 58.87 57.98 2h45 n SER 20 Cb 0.50 -4.88 0.18 0.00 -0.26 0.00 0.00 64.21 59.75 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 -2.57 2.67 0.03 4.04 1.04 -0.49 -4.57 113.70 113.85 2h45 s SER 21 Ca 0.25 1.74 0.05 0.00 0.48 0.00 0.00 55.95 58.47 2h45 s SER 21 Cb -0.11 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 2h45 s SER 21 CO 0.30 -3.18 -0.15 -0.36 0.98 0.00 0.00 173.24 170.83 2h45 s PHE 22 N -2.71 1.36 -0.33 5.02 0.08 -0.85 -4.39 117.98 116.15 2h45 s PHE 22 Ca 0.66 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.41 2h45 s PHE 22 Cb -0.21 -0.82 0.09 0.00 -0.57 0.00 0.00 43.02 41.51 2h45 s PHE 22 CO 0.59 0.03 0.03 0.08 -0.10 0.00 0.00 175.22 175.85 2h45 s VAL 23 N -0.72 2.30 -0.09 -0.44 1.01 -1.26 0.07 120.40 121.28 2h45 s VAL 23 Ca 0.04 -2.20 0.01 0.00 0.00 0.00 0.00 61.98 59.83 2h45 s VAL 23 Cb -0.08 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2h45 s VAL 23 CO 0.01 -0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 173.82 2h45 s VAL 24 N 0.95 3.38 0.14 2.92 1.01 -0.91 -4.75 120.40 123.13 2h45 s VAL 24 Ca 0.07 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.55 2h45 s VAL 24 Cb -0.19 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2h45 s VAL 24 CO -0.07 0.57 -0.20 -0.94 0.00 0.00 0.00 175.10 174.45 2h45 s SER 25 N -0.39 2.71 0.00 3.32 1.04 -1.26 -1.68 113.70 117.44 2h45 s SER 25 Ca 0.05 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2h45 s SER 25 Cb -0.12 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2h45 s SER 25 CO 0.02 0.03 0.00 -2.67 0.98 0.00 0.00 173.24 171.60 2h45 n TRP 26 N 0.64 -0.13 -5.21 5.02 2.14 -0.17 -4.99 117.44 114.75 2h45 n TRP 26 Ca -0.16 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.09 2h45 n TRP 26 Cb 0.55 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.88 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 -1.89 2.03 0.57 -1.67 1.01 -1.26 -4.81 120.40 114.38 2h45 s VAL 27 Ca 0.00 -1.02 0.29 0.00 0.00 0.00 0.00 61.98 61.25 2h45 s VAL 27 Cb 0.00 -1.75 0.41 0.00 0.00 0.00 0.00 36.38 35.04 2h45 s VAL 27 CO 0.00 0.56 1.92 0.77 0.00 0.00 0.00 175.10 178.35 2h45 h SER 28 N 6.56 0.00 0.00 3.32 4.64 -1.93 -3.43 113.55 122.71 2h45 h SER 28 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2h45 h SER 28 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2h45 h SER 28 CO 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 2h45 n ALA 29 N -2.48 0.00 -3.17 5.18 0.00 -1.26 -4.64 120.51 114.14 2h45 n ALA 29 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 2h45 n ALA 29 Cb 0.71 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.55 -0.80 0.00 0.00 0.01 -1.26 -5.00 113.70 106.10 2h45 s SER 30 Ca 0.00 0.54 0.25 0.00 1.31 0.00 0.00 55.95 58.05 2h45 s SER 30 Cb 0.00 1.69 1.18 0.00 0.21 0.00 0.00 66.02 69.10 2h45 s SER 30 CO 0.00 -0.15 1.81 0.47 0.41 0.00 0.00 173.24 175.78 2h45 n ASP 31 N 5.43 0.00 -0.24 2.44 8.00 -1.26 -2.27 116.55 128.65 2h45 n ASP 31 Ca -0.05 0.11 0.14 0.00 0.71 0.00 0.00 54.79 55.70 2h45 n ASP 31 Cb 0.53 -0.35 0.54 0.00 -0.02 0.00 0.00 41.12 41.82 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 -1.35 0.00 -1.88 -3.53 -2.24 -1.26 -4.90 114.28 99.12 2h45 n THR 32 Ca 0.10 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 2h45 n THR 32 Cb 0.22 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.33 2.26 -0.45 2.28 0.11 -0.96 -3.30 120.40 118.00 2h45 s VAL 33 Ca 0.31 0.24 0.23 0.00 -2.93 0.00 0.00 61.98 59.83 2h45 s VAL 33 Cb 0.20 -3.15 -0.11 0.00 -1.53 0.00 0.00 36.38 31.79 2h45 s VAL 33 CO 0.45 0.05 0.97 -1.20 -3.33 0.00 0.00 175.10 172.04 2h45 n SER 34 N 1.16 0.59 0.00 3.54 7.64 1.30 -4.63 113.62 123.21 2h45 n SER 34 Ca 0.03 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2h45 n SER 34 Cb 0.39 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 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 1.31 -0.87 3.24 0.23 0.00 -1.11 -3.41 105.19 104.58 2h45 n GLY 35 Ca 0.01 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 1.52 -0.10 1.61 0.08 0.29 0.59 117.98 119.98 2h45 s PHE 36 Ca 0.00 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2h45 s PHE 36 Cb 0.00 -0.83 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2h45 s PHE 36 CO 0.00 0.15 -0.08 0.50 -0.10 0.00 0.00 175.22 175.69 2h45 s ARG 37 N -1.98 1.45 -0.15 0.44 3.52 0.13 0.17 118.95 122.53 2h45 s ARG 37 Ca 0.04 -0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.35 2h45 s ARG 37 Cb -0.09 -1.47 -0.03 0.00 -1.56 0.00 0.00 34.95 31.80 2h45 s ARG 37 CO 0.03 -0.21 -0.02 0.08 -0.81 0.00 0.00 175.30 174.38 2h45 s VAL 38 N 1.50 4.08 -0.07 7.11 1.01 0.57 -0.51 120.40 134.09 2h45 s VAL 38 Ca 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2h45 s VAL 38 Cb -0.13 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 2h45 s VAL 38 CO -0.05 0.50 -0.21 -0.70 0.00 0.00 0.00 175.10 174.63 2h45 s GLU 39 N 0.21 2.49 -0.01 2.72 2.12 -0.56 -0.34 118.70 125.33 2h45 s GLU 39 Ca -0.01 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.55 2h45 s GLU 39 Cb -0.13 -2.00 0.01 0.00 0.26 0.00 0.00 34.13 32.26 2h45 s GLU 39 CO 0.02 0.23 -0.02 1.52 -0.54 0.00 0.00 175.26 176.48 2h45 s TYR 40 N 0.18 0.23 0.08 5.30 -0.85 -0.95 -1.91 117.35 119.43 2h45 s TYR 40 Ca -0.11 -0.02 -0.08 0.00 -0.52 0.00 0.00 57.07 56.33 2h45 s TYR 40 Cb -0.15 -0.21 -0.00 0.00 0.38 0.00 0.00 41.96 41.98 2h45 s TYR 40 CO 0.05 -0.04 0.17 -1.83 -1.52 0.00 0.00 175.55 172.39 2h45 s GLU 41 N 0.24 0.80 -0.05 -3.49 -1.05 -1.14 -2.25 118.70 111.75 2h45 s GLU 41 Ca -0.02 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 53.59 2h45 s GLU 41 Cb -0.04 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 2h45 s GLU 41 CO -0.01 -0.24 1.27 -0.51 0.95 0.00 0.00 175.26 176.73 2h45 s LEU 42 N -2.72 4.28 0.41 1.83 1.43 -1.26 -0.77 118.68 121.87 2h45 s LEU 42 Ca 0.03 1.89 0.16 0.00 -1.03 0.00 0.00 54.13 55.18 2h45 s LEU 42 Cb 0.04 -3.56 0.87 0.00 0.03 0.00 0.00 46.19 43.57 2h45 s LEU 42 CO -0.10 -0.65 1.87 0.77 0.23 0.00 0.00 176.35 178.48 2h45 h SER 43 N 7.70 0.00 0.00 2.29 4.64 -1.05 0.24 113.55 127.36 2h45 h SER 43 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2h45 h SER 43 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2h45 h SER 43 CO 0.90 0.31 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.81 2h45 h GLU 44 N 0.00 0.00 -0.59 4.77 4.39 -1.91 -3.40 114.58 117.85 2h45 h GLU 44 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2h45 h GLU 44 Cb 0.60 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2h45 h GLU 44 CO 0.04 0.00 0.37 0.93 -1.16 0.00 0.00 179.01 179.19 2h45 h GLU 45 N -0.09 0.78 -1.33 2.33 5.08 -1.91 -3.46 114.58 115.99 2h45 h GLU 45 Ca 0.00 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2h45 h GLU 45 Cb 0.03 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2h45 h GLU 45 CO 0.00 0.53 -0.22 0.41 -1.00 0.00 0.00 179.01 178.74 2h45 n GLY 46 N -1.40 0.06 3.38 -3.84 0.00 0.07 -5.00 105.19 98.46 2h45 n GLY 46 Ca 0.06 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 0.37 -2.34 -4.77 1.61 8.00 -1.26 -4.90 116.55 113.27 2h45 n ASP 47 Ca -0.09 -0.30 -0.40 0.00 0.71 0.00 0.00 54.79 54.71 2h45 n ASP 47 Cb 0.57 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 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 -4.30 3.95 0.47 -1.24 -1.05 -1.26 -4.56 118.70 110.71 2h45 s GLU 48 Ca 0.66 2.44 -0.22 0.00 -0.15 0.00 0.00 54.97 57.70 2h45 s GLU 48 Cb -0.21 -2.83 -0.08 0.00 -0.44 0.00 0.00 34.13 30.57 2h45 s GLU 48 CO 0.64 -0.61 1.10 -1.25 0.95 0.00 0.00 175.26 176.10 2h45 s PRO 49 N -2.22 3.79 0.05 -4.83 0.04 -1.26 -4.84 135.00 125.73 2h45 s PRO 49 Ca 0.56 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.26 2h45 s PRO 49 Cb -0.44 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2h45 s PRO 49 CO 0.58 -0.48 -0.14 -0.65 0.04 0.00 0.00 177.00 176.34 2h45 s GLN 50 N -2.87 2.14 -0.04 4.56 -0.21 -0.96 -4.97 119.66 117.32 2h45 s GLN 50 Ca 0.65 -0.96 0.06 0.00 0.02 0.00 0.00 55.36 55.12 2h45 s GLN 50 Cb -0.24 -2.26 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 2h45 s GLN 50 CO 0.28 0.54 -0.21 0.71 -2.12 0.00 0.00 175.29 174.49 2h45 s TYR 51 N -1.02 2.00 -0.12 0.91 2.02 -1.26 -2.23 117.35 117.66 2h45 s TYR 51 Ca 0.17 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 2h45 s TYR 51 Cb -0.11 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 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 -0.19 -1.29 1.43 0.54 -4.95 118.68 115.96 2h45 s LEU 52 Ca 0.01 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 2h45 s LEU 52 Cb -0.11 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 2h45 s LEU 52 CO 0.01 0.08 0.12 -1.81 0.23 0.00 0.00 176.35 174.98 2h45 s ASP 53 N 0.72 6.11 0.14 2.29 1.01 -1.26 -0.31 116.67 125.36 2h45 s ASP 53 Ca -0.11 0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.44 2h45 s ASP 53 Cb -0.16 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2h45 s ASP 53 CO 0.02 0.19 -0.16 -0.76 0.21 0.00 0.00 175.17 174.67 2h45 s LEU 54 N 0.27 2.41 0.67 1.23 1.43 0.13 -4.97 118.68 119.86 2h45 s LEU 54 Ca 0.08 -0.83 -0.15 0.00 -1.03 0.00 0.00 54.13 52.20 2h45 s LEU 54 Cb -0.11 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.46 2h45 s LEU 54 CO -0.01 -0.10 1.11 -2.16 0.23 0.00 0.00 176.35 175.42 2h45 s PRO 55 N -2.70 2.71 0.17 1.29 0.04 -1.26 0.11 135.00 135.36 2h45 s PRO 55 Ca 0.11 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.64 2h45 s PRO 55 Cb -0.05 -1.94 0.53 0.00 0.04 0.00 0.00 34.50 33.08 2h45 s PRO 55 CO 0.04 -1.32 1.24 -1.13 0.04 0.00 0.00 177.00 175.87 2h45 n SER 56 N -2.54 0.25 -0.04 6.66 3.41 -1.22 0.72 113.62 120.87 2h45 n SER 56 Ca 0.10 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 2h45 n SER 56 Cb 0.52 -0.57 0.11 0.00 -0.26 0.00 0.00 64.21 64.00 2h45 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h45 n THR 57 N -1.82 0.00 -2.96 6.66 -2.24 -1.26 -4.88 114.28 107.78 2h45 n THR 57 Ca -0.01 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 2h45 n THR 57 Cb 0.11 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.95 3.38 -0.02 6.98 0.00 0.22 -4.94 121.76 124.44 2h45 s ALA 58 Ca 0.11 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2h45 s ALA 58 Cb 0.17 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 20.32 2h45 s ALA 58 CO 0.75 0.12 0.85 0.25 0.00 0.00 0.00 175.76 177.72 2h45 n THR 59 N 2.47 0.66 -3.55 0.00 -2.24 -1.26 -4.86 114.28 105.49 2h45 n THR 59 Ca -0.03 -0.71 -0.14 0.00 -2.27 0.00 0.00 64.05 60.90 2h45 n THR 59 Cb 0.50 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.92 -0.52 -0.02 3.42 1.04 -1.26 -1.00 113.70 114.45 2h45 s SER 60 Ca 0.04 0.60 -0.19 0.00 0.48 0.00 0.00 55.95 56.89 2h45 s SER 60 Cb 0.04 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2h45 s SER 60 CO 0.00 -0.46 0.41 0.54 0.98 0.00 0.00 173.24 174.71 2h45 s VAL 61 N -1.05 0.04 -0.21 5.02 0.11 -0.68 -5.00 120.40 118.63 2h45 s VAL 61 Ca -0.06 -0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 58.55 2h45 s VAL 61 Cb -0.01 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2h45 s VAL 61 CO 0.05 -0.20 0.08 0.21 -3.33 0.00 0.00 175.10 171.92 2h45 s ASN 62 N -1.35 5.63 -0.47 3.54 3.04 -1.26 -2.15 114.94 121.92 2h45 s ASN 62 Ca -0.12 0.03 -0.15 0.00 0.04 0.00 0.00 52.86 52.66 2h45 s ASN 62 Cb -0.04 -1.98 0.08 0.00 -1.54 0.00 0.00 41.25 37.77 2h45 s ASN 62 CO 0.05 0.11 0.39 -0.63 -3.04 0.00 0.00 177.10 173.98 2h45 s ILE 63 N 0.74 5.14 0.67 -5.21 1.01 0.11 -4.93 121.20 118.74 2h45 s ILE 63 Ca 0.04 -1.11 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 2h45 s ILE 63 Cb -0.13 -4.09 0.14 0.00 0.01 0.00 0.00 42.46 38.39 2h45 s ILE 63 CO 0.02 -0.58 0.92 -0.81 0.00 0.00 0.00 174.94 174.49 2h45 n PRO 64 N 5.18 -0.18 -3.20 2.79 -0.04 -1.26 -2.01 135.00 136.27 2h45 n PRO 64 Ca -0.12 -2.31 -0.23 0.00 -0.04 0.00 0.00 63.50 60.81 2h45 n PRO 64 Cb 0.43 -0.67 0.05 0.00 -0.04 0.00 0.00 33.50 33.27 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 -6.16 -4.86 3.54 8.00 -1.26 -4.97 116.55 107.81 2h45 n ASP 65 Ca 0.15 -0.37 -0.35 0.00 0.71 0.00 0.00 54.79 54.93 2h45 n ASP 65 Cb 0.52 -4.91 -0.06 0.00 -0.02 0.00 0.00 41.12 36.65 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 -6.78 4.35 -0.41 0.64 1.43 -0.70 -5.05 118.68 112.17 2h45 s LEU 66 Ca 0.40 0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 54.18 2h45 s LEU 66 Cb -0.17 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 42.98 2h45 s LEU 66 CO 0.49 0.15 0.75 -0.76 0.23 0.00 0.00 176.35 177.21 2h45 s LEU 67 N -1.90 4.23 0.37 1.79 1.43 -1.26 -4.11 118.68 119.23 2h45 s LEU 67 Ca 0.35 0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.25 2h45 s LEU 67 Cb -0.14 -2.94 -0.12 0.00 0.03 0.00 0.00 46.19 43.02 2h45 s LEU 67 CO 0.18 -0.80 1.15 -2.65 0.23 0.00 0.00 176.35 174.46 2h45 n PRO 68 N 6.49 1.70 -0.95 1.29 -0.02 -1.26 -2.28 135.00 139.97 2h45 n PRO 68 Ca 0.02 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2h45 n PRO 68 Cb 0.48 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.99 0.44 3.28 -1.23 0.00 -1.26 -5.04 105.19 102.37 2h45 n GLY 69 Ca 0.07 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.36 1.36 -0.17 1.61 1.81 -0.97 -4.95 118.95 116.29 2h45 s ARG 70 Ca 0.00 -1.04 -0.10 0.00 -1.72 0.00 0.00 55.73 52.87 2h45 s ARG 70 Cb 0.00 -1.55 -0.05 0.00 -0.45 0.00 0.00 34.95 32.91 2h45 s ARG 70 CO 0.00 0.39 0.18 0.21 -0.68 0.00 0.00 175.30 175.39 2h45 s LYS 71 N -1.42 4.04 0.21 3.54 2.20 -1.26 -2.39 119.74 124.66 2h45 s LYS 71 Ca 0.08 -0.11 0.11 0.00 -0.36 0.00 0.00 55.97 55.69 2h45 s LYS 71 Cb -0.09 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2h45 s LYS 71 CO 0.03 0.40 -0.20 0.71 -0.36 0.00 0.00 175.35 175.92 2h45 s TYR 72 N 0.05 2.36 -0.18 4.03 1.51 -0.27 -0.43 117.35 124.42 2h45 s TYR 72 Ca 0.12 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2h45 s TYR 72 Cb -0.12 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 2h45 s TYR 72 CO 0.01 0.55 -0.02 0.42 -1.11 0.00 0.00 175.55 175.40 2h45 s ILE 73 N -1.87 3.86 -0.13 2.71 1.01 0.05 -1.29 121.20 125.55 2h45 s ILE 73 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 2h45 s ILE 73 Cb -0.07 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 2h45 s ILE 73 CO 0.12 0.46 -0.10 -0.69 0.00 0.00 0.00 174.94 174.73 2h45 s VAL 74 N 0.71 3.33 -0.04 2.92 1.01 0.17 -2.88 120.40 125.62 2h45 s VAL 74 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2h45 s VAL 74 Cb -0.14 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.86 2h45 s VAL 74 CO 0.02 0.53 0.02 0.20 0.00 0.00 0.00 175.10 175.86 2h45 s ASN 75 N 0.20 0.78 -0.19 3.32 0.01 -0.81 -0.02 114.94 118.24 2h45 s ASN 75 Ca -0.06 -0.01 -0.07 0.00 -0.71 0.00 0.00 52.86 52.01 2h45 s ASN 75 Cb -0.15 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 2h45 s ASN 75 CO 0.04 -0.16 0.05 -0.69 -1.51 0.00 0.00 177.10 174.84 2h45 s VAL 76 N 1.47 4.55 -0.05 1.60 1.01 0.81 -1.50 120.40 128.29 2h45 s VAL 76 Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2h45 s VAL 76 Cb -0.13 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2h45 s VAL 76 CO -0.03 0.44 -0.24 -0.31 0.00 0.00 0.00 175.10 174.96 2h45 s TYR 77 N 0.63 2.45 -0.15 5.22 2.02 0.33 -1.85 117.35 126.00 2h45 s TYR 77 Ca 0.02 -0.65 -0.07 0.00 -0.37 0.00 0.00 57.07 56.00 2h45 s TYR 77 Cb -0.13 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 2h45 s TYR 77 CO 0.02 -0.17 0.10 1.14 -1.57 0.00 0.00 175.55 175.07 2h45 s GLN 78 N -0.24 3.70 -0.27 -0.62 -2.07 -0.60 0.19 119.66 119.75 2h45 s GLN 78 Ca -0.01 -0.23 -0.14 0.00 -1.82 0.00 0.00 55.36 53.16 2h45 s GLN 78 Cb -0.13 -3.21 -0.04 0.00 -1.09 0.00 0.00 33.01 28.54 2h45 s GLN 78 CO 0.03 0.54 0.31 0.42 -1.32 0.00 0.00 175.29 175.27 2h45 s ILE 79 N -0.34 5.22 0.83 3.63 1.01 0.20 -1.97 121.20 129.77 2h45 s ILE 79 Ca 0.10 0.44 -0.12 0.00 0.00 0.00 0.00 60.65 61.08 2h45 s ILE 79 Cb -0.12 -3.64 0.11 0.00 0.01 0.00 0.00 42.46 38.82 2h45 s ILE 79 CO 0.01 0.20 1.18 -0.94 0.00 0.00 0.00 174.94 175.39 2h45 s SER 80 N 1.62 4.20 0.63 3.58 1.04 0.08 0.40 113.70 125.24 2h45 s SER 80 Ca 0.13 0.55 0.35 0.00 0.48 0.00 0.00 55.95 57.46 2h45 s SER 80 Cb -0.16 -0.95 2.02 0.00 0.10 0.00 0.00 66.02 67.03 2h45 s SER 80 CO 0.10 -2.06 2.24 -0.33 0.98 0.00 0.00 173.24 174.17 2h45 h GLU 81 N -1.11 0.00 -0.05 4.02 5.08 -1.89 0.10 114.58 120.74 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 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2h45 h GLU 81 CO 0.57 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.18 2h45 n ASP 82 N -3.46 1.87 0.00 1.42 5.68 -1.26 -4.91 116.55 115.89 2h45 n ASP 82 Ca -0.02 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 2h45 n ASP 82 Cb 0.15 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2h45 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h45 n GLY 83 N 1.21 0.64 3.78 6.12 0.00 0.35 -5.04 105.19 112.25 2h45 n GLY 83 Ca 0.18 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.43 4.57 -0.06 1.61 0.41 -1.26 -4.76 118.70 118.78 2h45 s GLU 84 Ca 0.00 1.16 -0.03 0.00 -0.41 0.00 0.00 54.97 55.69 2h45 s GLU 84 Cb 0.00 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 29.06 2h45 s GLU 84 CO 0.00 0.57 0.09 -0.65 -0.49 0.00 0.00 175.26 174.78 2h45 s GLN 85 N -1.16 3.21 -0.04 1.61 -0.21 -1.26 -0.74 119.66 121.07 2h45 s GLN 85 Ca 0.36 -0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.40 2h45 s GLN 85 Cb -0.23 -2.97 0.03 0.00 1.00 0.00 0.00 33.01 30.83 2h45 s GLN 85 CO 0.26 0.70 -0.01 0.45 -2.12 0.00 0.00 175.29 174.58 2h45 s SER 86 N -1.35 0.74 -0.16 5.90 0.15 -0.83 -4.92 113.70 113.23 2h45 s SER 86 Ca 0.19 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.49 2h45 s SER 86 Cb -0.12 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.86 2h45 s SER 86 CO 0.09 -0.10 1.38 -0.22 1.20 0.00 0.00 173.24 175.58 2h45 s LEU 87 N 1.14 4.16 -0.02 3.45 2.96 -1.26 -1.56 118.68 127.55 2h45 s LEU 87 Ca -0.08 1.76 0.10 0.00 -0.22 0.00 0.00 54.13 55.69 2h45 s LEU 87 Cb -0.14 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 2h45 s LEU 87 CO -0.02 -0.86 0.20 2.30 -1.32 0.00 0.00 176.35 176.65 2h45 n ILE 88 N 5.55 0.06 -3.65 6.68 -5.35 -0.77 -4.98 119.36 116.89 2h45 n ILE 88 Ca 0.15 -0.24 -0.05 0.00 -0.27 0.00 0.00 62.75 62.33 2h45 n ILE 88 Cb 0.45 0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 38.45 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 -3.79 -0.85 -0.11 7.28 2.96 -1.23 -4.94 118.68 118.01 2h45 s LEU 89 Ca -0.04 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 2h45 s LEU 89 Cb 0.06 1.76 0.02 0.00 0.50 0.00 0.00 46.19 48.52 2h45 s LEU 89 CO 0.41 -0.23 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.55 2h45 s SER 90 N 2.71 2.27 -0.04 3.68 0.15 -1.26 -0.13 113.70 121.08 2h45 s SER 90 Ca -0.04 -0.37 -0.25 0.00 0.70 0.00 0.00 55.95 55.99 2h45 s SER 90 Cb -0.12 -0.98 0.05 0.00 -1.71 0.00 0.00 66.02 63.27 2h45 s SER 90 CO -0.15 -0.04 0.54 0.28 1.20 0.00 0.00 173.24 175.07 2h45 s THR 91 N 1.24 0.02 0.19 6.45 -1.32 0.98 -5.01 115.64 118.19 2h45 s THR 91 Ca -0.02 -0.17 0.08 0.00 -1.21 0.00 0.00 61.69 60.36 2h45 s THR 91 Cb -0.14 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 2h45 s THR 91 CO -0.04 -0.09 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.31 2h45 s SER 92 N -1.18 4.62 0.04 8.08 1.04 -1.26 0.45 113.70 125.50 2h45 s SER 92 Ca -0.11 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 2h45 s SER 92 Cb -0.02 -0.92 -0.03 0.00 0.10 0.00 0.00 66.02 65.15 2h45 s SER 92 CO 0.08 0.08 0.00 -1.10 0.98 0.00 0.00 173.24 173.27 2h45 s GLN 93 N -3.03 0.54 -0.26 4.02 -0.21 -0.41 -4.95 119.66 115.36 2h45 s GLN 93 Ca 0.27 -0.98 0.02 0.00 0.02 0.00 0.00 55.36 54.69 2h45 s GLN 93 Cb -0.09 0.19 0.05 0.00 1.00 0.00 0.00 33.01 34.17 2h45 s GLN 93 CO 0.18 -0.11 -0.10 0.99 -2.12 0.00 0.00 175.29 174.13 2h45 s THR 94 N -3.09 2.29 -1.29 -0.19 2.01 -1.26 -1.11 115.64 112.99 2h45 s THR 94 Ca -0.01 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.46 2h45 s THR 94 Cb 0.02 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.22 2h45 s THR 94 CO -0.07 0.01 0.32 0.35 -0.69 0.00 0.00 174.62 174.54