#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 2.45 -1.26 1.61 -0.04 -1.26 -2.33 135.00 134.16 2h45 n PRO 2 Ca 0.00 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2h45 n PRO 2 Cb 0.00 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 1.31 0.00 -4.71 1.53 4.32 -1.26 -4.80 117.00 113.39 2h45 n LEU 3 Ca 0.06 0.18 -0.27 0.00 -0.02 0.00 0.00 56.01 55.96 2h45 n LEU 3 Cb 0.36 -0.48 -0.07 0.00 -1.62 0.00 0.00 43.42 41.61 2h45 n LEU 3 CO 0.63 0.00 -0.29 -0.83 -1.22 0.00 0.00 177.39 175.68 2h45 s GLY 4 N -0.96 1.74 0.12 -0.72 0.00 -0.99 -4.92 107.32 101.60 2h45 s GLY 4 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2h45 s GLY 4 CO 0.00 -1.30 0.00 -1.26 0.00 0.00 0.00 173.10 170.54 2h45 n SER 5 N -0.14 -3.68 0.00 1.64 2.88 -1.26 -4.79 113.62 108.26 2h45 n SER 5 Ca -0.09 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2h45 n SER 5 Cb 0.55 -1.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 2h45 n SER 5 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2h45 n HIS 6 N -1.95 0.00 -3.27 0.66 8.25 -1.26 -4.53 115.22 113.12 2h45 n HIS 6 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2h45 n HIS 6 Cb 0.24 0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 2h45 n HIS 6 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2h45 s LEU 7 N 0.00 4.30 -0.26 2.41 1.02 -1.26 -5.05 118.68 119.84 2h45 s LEU 7 Ca 0.00 0.91 -0.16 0.00 0.02 0.00 0.00 54.13 54.90 2h45 s LEU 7 Cb 0.00 -2.77 0.08 0.00 0.02 0.00 0.00 46.19 43.52 2h45 s LEU 7 CO 0.00 0.01 0.65 0.54 0.02 0.00 0.00 176.35 177.57 2h45 s VAL 8 N 0.49 -0.00 -0.12 -1.59 0.11 -1.26 -4.88 120.40 113.15 2h45 s VAL 8 Ca 0.28 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.21 2h45 s VAL 8 Cb -0.16 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2h45 s VAL 8 CO 0.12 0.00 0.31 0.00 -3.33 0.00 0.00 175.10 172.21 2h45 s ALA 9 N 1.49 3.63 -1.51 1.54 0.00 -1.26 -4.95 121.76 120.70 2h45 s ALA 9 Ca -0.09 -0.41 0.13 0.00 0.00 0.00 0.00 51.96 51.59 2h45 s ALA 9 Cb -0.05 -2.37 0.08 0.00 0.00 0.00 0.00 23.12 20.77 2h45 s ALA 9 CO -0.17 0.20 0.87 -2.37 0.00 0.00 0.00 175.76 174.29 2h45 n THR 10 N 3.11 0.00 -0.64 0.00 5.66 -1.26 -5.07 114.28 116.08 2h45 n THR 10 Ca -0.13 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 2h45 n THR 10 Cb 0.52 1.24 0.00 0.00 -1.55 0.00 0.00 70.33 70.54 2h45 n THR 10 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2h45 n SER 11 N 0.53 -0.99 -2.70 1.09 2.88 -1.26 -3.82 113.62 109.35 2h45 n SER 11 Ca 0.07 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2h45 n SER 11 Cb 0.31 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2h45 n SER 11 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2h45 n GLU 12 N 1.50 -1.06 0.00 -1.46 4.71 -1.26 -4.74 120.64 118.33 2h45 n GLU 12 Ca 0.00 1.01 0.14 0.00 -0.01 0.00 0.00 57.16 58.31 2h45 n GLU 12 Cb 0.00 -0.72 0.82 0.00 -1.01 0.00 0.00 31.44 30.53 2h45 n GLU 12 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2h45 n SER 13 N 2.36 0.00 -4.23 1.62 7.64 -1.25 -4.69 113.62 115.07 2h45 n SER 13 Ca 0.00 -0.72 -0.31 0.00 1.01 0.00 0.00 58.87 58.84 2h45 n SER 13 Cb 0.00 -0.06 -0.17 0.00 -1.01 0.00 0.00 64.21 62.97 2h45 n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2h45 s VAL 14 N -2.13 2.01 0.00 0.44 1.01 -1.26 -4.51 120.40 115.96 2h45 s VAL 14 Ca 0.39 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2h45 s VAL 14 Cb 0.20 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2h45 s VAL 14 CO 0.35 0.55 0.00 0.41 0.00 0.00 0.00 175.10 176.41 2h45 n THR 15 N 3.31 0.00 0.00 3.92 -1.04 -1.26 -4.93 114.28 114.28 2h45 n THR 15 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 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 0.00 0.00 -2.82 4.71 -1.26 -4.55 120.64 116.72 2h45 n GLU 16 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.27 2h45 n GLU 16 Cb 0.00 0.00 0.52 0.00 -1.01 0.00 0.00 31.44 30.95 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 0.00 0.35 -1.55 -3.67 5.41 -1.26 -3.92 119.36 114.72 2h45 n ILE 17 Ca 0.00 0.09 -0.38 0.00 1.00 0.00 0.00 62.75 63.46 2h45 n ILE 17 Cb 0.00 -0.68 0.05 0.00 -0.71 0.00 0.00 39.64 38.30 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 -1.47 3.09 -0.89 1.39 -2.24 -1.26 0.22 114.28 113.11 2h45 n THR 18 Ca 0.06 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.31 2h45 n THR 18 Cb 0.27 -0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 67.53 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 -1.68 -0.05 0.00 6.98 0.00 -1.26 -1.20 120.51 123.30 2h45 n ALA 19 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2h45 n ALA 19 Cb 0.47 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.96 0.00 0.00 0.00 3.41 0.59 -3.02 113.62 115.55 2h45 n SER 20 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2h45 n SER 20 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2h45 n SER 20 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2h45 n SER 21 N 3.44 0.00 -3.59 4.04 2.88 -0.34 -4.02 113.62 116.03 2h45 n SER 21 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2h45 n SER 21 Cb 0.00 -0.39 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 2h45 n SER 21 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2h45 s PHE 22 N -0.78 -0.50 -0.33 0.66 0.08 -0.97 -4.83 117.98 111.32 2h45 s PHE 22 Ca 0.00 0.81 0.03 0.00 0.12 0.00 0.00 56.93 57.89 2h45 s PHE 22 Cb 0.00 0.32 0.09 0.00 -0.57 0.00 0.00 43.02 42.86 2h45 s PHE 22 CO 0.00 -0.56 0.02 0.08 -0.10 0.00 0.00 175.22 174.67 2h45 s VAL 23 N -1.40 2.31 -0.13 -0.44 1.01 -1.26 -0.49 120.40 120.00 2h45 s VAL 23 Ca -0.11 -2.17 -0.02 0.00 0.00 0.00 0.00 61.98 59.68 2h45 s VAL 23 Cb -0.02 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2h45 s VAL 23 CO 0.07 -0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 173.94 2h45 s VAL 24 N 0.96 3.70 0.14 2.92 1.01 -0.98 -4.59 120.40 123.56 2h45 s VAL 24 Ca 0.06 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.68 2h45 s VAL 24 Cb -0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2h45 s VAL 24 CO -0.07 0.53 -0.17 -0.94 0.00 0.00 0.00 175.10 174.45 2h45 s SER 25 N 0.06 2.41 0.00 3.32 1.04 -1.26 -1.98 113.70 117.29 2h45 s SER 25 Ca -0.01 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2h45 s SER 25 Cb -0.14 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2h45 s SER 25 CO 0.03 -0.06 0.00 -2.67 0.98 0.00 0.00 173.24 171.52 2h45 n TRP 26 N 0.48 -0.09 -4.36 5.02 2.14 -0.36 -5.00 117.44 115.27 2h45 n TRP 26 Ca -0.15 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.19 2h45 n TRP 26 Cb 0.57 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.90 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 -1.80 0.92 -0.34 -1.67 1.01 -1.26 -4.78 120.40 112.48 2h45 s VAL 27 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 61.98 61.28 2h45 s VAL 27 Cb 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 36.38 35.37 2h45 s VAL 27 CO 0.00 0.31 2.12 -1.54 0.00 0.00 0.00 175.10 175.99 2h45 n SER 28 N 4.05 2.07 -0.18 3.32 3.41 -1.26 -4.76 113.62 120.27 2h45 n SER 28 Ca -0.22 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 2h45 n SER 28 Cb 0.51 -1.22 0.42 0.00 -0.26 0.00 0.00 64.21 63.66 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 8.95 2.56 -3.64 7.33 0.00 -1.26 -4.82 120.51 129.63 2h45 n ALA 29 Ca 0.40 -0.23 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 2h45 n ALA 29 Cb 0.19 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.21 0.00 0.00 0.01 -1.26 -5.01 113.70 105.76 2h45 s SER 30 Ca 0.25 0.39 0.24 0.00 1.31 0.00 0.00 55.95 58.14 2h45 s SER 30 Cb 0.12 0.39 1.04 0.00 0.21 0.00 0.00 66.02 67.78 2h45 s SER 30 CO 0.20 -0.08 1.72 -0.90 0.41 0.00 0.00 173.24 174.59 2h45 n ASP 31 N 1.74 1.17 -0.66 2.44 5.68 -1.26 -3.34 116.55 122.31 2h45 n ASP 31 Ca -0.11 -1.51 0.13 0.00 -0.50 0.00 0.00 54.79 52.80 2h45 n ASP 31 Cb 0.57 -0.04 0.37 0.00 -1.14 0.00 0.00 41.12 40.87 2h45 n ASP 31 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2h45 n THR 32 N -0.05 0.07 -2.31 2.12 -2.24 -1.26 -4.92 114.28 105.70 2h45 n THR 32 Ca 0.18 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 2h45 n THR 32 Cb 0.27 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.93 3.36 -0.58 2.28 0.11 -1.21 -2.41 120.40 120.02 2h45 s VAL 33 Ca 0.35 1.18 0.23 0.00 -2.93 0.00 0.00 61.98 60.80 2h45 s VAL 33 Cb 0.20 -3.75 -0.14 0.00 -1.53 0.00 0.00 36.38 31.16 2h45 s VAL 33 CO 0.31 0.20 0.97 -1.20 -3.33 0.00 0.00 175.10 172.06 2h45 n SER 34 N 2.23 0.60 0.00 3.54 7.64 0.80 -4.60 113.62 123.83 2h45 n SER 34 Ca 0.04 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2h45 n SER 34 Cb 0.44 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 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 1.36 -0.90 3.28 0.23 0.00 -1.16 -3.13 105.19 104.89 2h45 n GLY 35 Ca 0.02 -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 1.70 -0.06 1.61 0.08 0.36 0.15 117.98 119.82 2h45 s PHE 36 Ca 0.00 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.61 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 0.22 -0.08 0.50 -0.10 0.00 0.00 175.22 175.76 2h45 s ARG 37 N -2.27 1.28 -0.11 0.44 3.52 0.13 0.36 118.95 122.30 2h45 s ARG 37 Ca 0.09 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 2h45 s ARG 37 Cb -0.08 -1.18 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 2h45 s ARG 37 CO 0.05 -0.06 -0.11 0.08 -0.81 0.00 0.00 175.30 174.45 2h45 s VAL 38 N 0.94 3.31 -0.08 7.11 1.01 -0.02 -0.48 120.40 132.18 2h45 s VAL 38 Ca -0.10 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2h45 s VAL 38 Cb -0.15 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2h45 s VAL 38 CO 0.01 0.54 -0.20 -0.70 0.00 0.00 0.00 175.10 174.75 2h45 s GLU 39 N -0.05 2.52 -0.02 2.72 2.12 -0.55 -1.18 118.70 124.25 2h45 s GLU 39 Ca -0.02 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.62 2h45 s GLU 39 Cb -0.14 -1.96 0.01 0.00 0.26 0.00 0.00 34.13 32.29 2h45 s GLU 39 CO 0.03 0.15 -0.07 1.52 -0.54 0.00 0.00 175.26 176.35 2h45 s TYR 40 N 0.39 0.77 0.10 5.30 1.13 -0.96 -1.55 117.35 122.53 2h45 s TYR 40 Ca -0.16 -0.18 -0.06 0.00 -1.41 0.00 0.00 57.07 55.26 2h45 s TYR 40 Cb -0.17 -0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 40.11 2h45 s TYR 40 CO 0.07 -0.09 0.15 -1.83 -2.51 0.00 0.00 175.55 171.34 2h45 s GLU 41 N 0.25 0.86 0.10 -3.49 -1.05 -0.97 -2.52 118.70 111.88 2h45 s GLU 41 Ca -0.03 -1.10 -0.31 0.00 -0.15 0.00 0.00 54.97 53.38 2h45 s GLU 41 Cb -0.08 0.31 -0.07 0.00 -0.44 0.00 0.00 34.13 33.85 2h45 s GLU 41 CO 0.00 -0.26 1.31 -0.51 0.95 0.00 0.00 175.26 176.75 2h45 s LEU 42 N -2.91 4.38 0.52 1.83 1.43 -1.25 0.25 118.68 122.92 2h45 s LEU 42 Ca 0.10 2.21 0.28 0.00 -1.03 0.00 0.00 54.13 55.68 2h45 s LEU 42 Cb 0.05 -3.59 1.43 0.00 0.03 0.00 0.00 46.19 44.12 2h45 s LEU 42 CO -0.07 -0.57 2.06 0.77 0.23 0.00 0.00 176.35 178.77 2h45 h SER 43 N 6.68 0.00 0.00 2.29 4.64 -1.10 -3.35 113.55 122.71 2h45 h SER 43 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2h45 h SER 43 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h45 h SER 43 CO 0.84 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 176.30 2h45 n GLU 44 N -3.60 0.00 -2.20 4.77 -0.58 -1.26 -4.98 120.64 112.79 2h45 n GLU 44 Ca -0.02 0.04 -0.37 0.00 -0.42 0.00 0.00 57.16 56.40 2h45 n GLU 44 Cb 0.25 -0.37 -0.00 0.00 -0.57 0.00 0.00 31.44 30.75 2h45 n GLU 44 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2h45 s GLU 45 N -0.61 3.61 -0.27 3.49 0.41 -1.26 -4.92 118.70 119.14 2h45 s GLU 45 Ca 0.00 1.79 0.04 0.00 -0.41 0.00 0.00 54.97 56.39 2h45 s GLU 45 Cb 0.00 -2.31 0.45 0.00 -1.78 0.00 0.00 34.13 30.49 2h45 s GLU 45 CO 0.00 -0.68 1.56 0.41 -0.49 0.00 0.00 175.26 176.05 2h45 n GLY 46 N 0.43 3.45 3.00 -1.39 0.00 -1.26 -3.94 105.19 105.48 2h45 n GLY 46 Ca 0.08 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.42 -2.81 -4.74 1.61 2.03 -1.26 -4.80 116.55 106.16 2h45 n ASP 47 Ca 0.36 -0.03 -0.41 0.00 0.52 0.00 0.00 54.79 55.23 2h45 n ASP 47 Cb 1.21 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 41.02 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 -2.20 4.51 0.53 -0.67 1.03 -1.26 -4.80 118.70 115.84 2h45 s GLU 48 Ca 0.34 1.83 -0.20 0.00 0.03 0.00 0.00 54.97 56.97 2h45 s GLU 48 Cb 0.07 -3.25 -0.06 0.00 -0.80 0.00 0.00 34.13 30.08 2h45 s GLU 48 CO 0.57 -0.06 1.16 -1.25 -1.33 0.00 0.00 175.26 174.35 2h45 s PRO 49 N -0.19 3.38 0.04 -4.83 0.04 -1.26 -4.91 135.00 127.26 2h45 s PRO 49 Ca 0.52 1.71 0.09 0.00 0.04 0.00 0.00 61.00 63.36 2h45 s PRO 49 Cb -0.32 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2h45 s PRO 49 CO 0.36 -0.85 -0.25 -0.65 0.04 0.00 0.00 177.00 175.65 2h45 s GLN 50 N -3.13 1.85 0.01 4.56 -0.21 -1.05 -4.98 119.66 116.71 2h45 s GLN 50 Ca 0.71 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 55.08 2h45 s GLN 50 Cb -0.27 -2.01 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 2h45 s GLN 50 CO 0.31 0.52 -0.22 0.71 -2.12 0.00 0.00 175.29 174.48 2h45 s TYR 51 N -0.80 1.99 -0.06 0.91 2.02 -1.26 -2.26 117.35 117.89 2h45 s TYR 51 Ca 0.12 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 2h45 s TYR 51 Cb -0.10 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2h45 s TYR 51 CO 0.02 0.02 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.38 2h45 s LEU 52 N -0.80 1.71 -0.16 -1.29 1.43 -0.33 -4.95 118.68 114.29 2h45 s LEU 52 Ca 0.09 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 2h45 s LEU 52 Cb -0.09 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2h45 s LEU 52 CO 0.00 0.05 0.09 -1.81 0.23 0.00 0.00 176.35 174.92 2h45 s ASP 53 N 0.56 5.92 0.14 2.29 1.01 -1.26 -0.84 116.67 124.49 2h45 s ASP 53 Ca -0.13 0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.41 2h45 s ASP 53 Cb -0.15 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2h45 s ASP 53 CO 0.04 0.25 -0.14 -0.76 0.21 0.00 0.00 175.17 174.77 2h45 s LEU 54 N -0.10 2.45 0.73 1.23 1.43 0.16 -4.96 118.68 119.62 2h45 s LEU 54 Ca 0.08 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 2h45 s LEU 54 Cb -0.12 -0.58 0.03 0.00 0.03 0.00 0.00 46.19 45.56 2h45 s LEU 54 CO 0.01 -0.16 1.08 -2.16 0.23 0.00 0.00 176.35 175.35 2h45 s PRO 55 N -3.01 2.55 0.42 1.29 0.04 -1.26 0.13 135.00 135.17 2h45 s PRO 55 Ca 0.13 1.13 0.29 0.00 0.04 0.00 0.00 61.00 62.59 2h45 s PRO 55 Cb -0.03 -1.93 1.55 0.00 0.04 0.00 0.00 34.50 34.12 2h45 s PRO 55 CO 0.04 -1.41 1.88 0.66 0.04 0.00 0.00 177.00 178.20 2h45 h SER 56 N -0.83 0.00 0.35 6.66 4.64 -1.79 0.22 113.55 122.78 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 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2h45 h SER 56 CO 0.53 0.00 -0.44 0.35 -0.87 0.00 0.00 176.83 176.40 2h45 n THR 57 N -2.51 0.00 -2.92 2.95 -2.24 -1.26 -4.87 114.28 103.44 2h45 n THR 57 Ca -0.02 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 2h45 n THR 57 Cb 0.05 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.79 3.33 -0.01 6.98 0.00 0.76 -4.93 121.76 125.10 2h45 s ALA 58 Ca 0.16 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2h45 s ALA 58 Cb 0.18 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 20.25 2h45 s ALA 58 CO 0.64 0.01 0.82 0.25 0.00 0.00 0.00 175.76 177.48 2h45 n THR 59 N 2.99 0.63 -3.60 0.00 -2.24 -1.26 -4.87 114.28 105.93 2h45 n THR 59 Ca -0.01 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 2h45 n THR 59 Cb 0.50 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 2h45 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2h45 s SER 60 N -0.76 -0.58 -0.05 3.42 1.04 -1.26 -1.22 113.70 114.29 2h45 s SER 60 Ca 0.02 0.94 -0.17 0.00 0.48 0.00 0.00 55.95 57.22 2h45 s SER 60 Cb 0.02 0.88 0.03 0.00 0.10 0.00 0.00 66.02 67.06 2h45 s SER 60 CO 0.00 -0.33 0.38 0.54 0.98 0.00 0.00 173.24 174.81 2h45 s VAL 61 N -0.31 0.04 -0.22 5.02 0.11 -0.84 -5.01 120.40 119.19 2h45 s VAL 61 Ca -0.02 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 58.62 2h45 s VAL 61 Cb -0.03 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 2h45 s VAL 61 CO 0.01 -0.17 0.13 0.21 -3.33 0.00 0.00 175.10 171.95 2h45 s ASN 62 N -0.98 5.93 -0.48 3.54 2.47 -1.26 -2.33 114.94 121.84 2h45 s ASN 62 Ca -0.10 0.09 -0.16 0.00 0.42 0.00 0.00 52.86 53.10 2h45 s ASN 62 Cb -0.04 -2.05 0.07 0.00 -1.45 0.00 0.00 41.25 37.77 2h45 s ASN 62 CO 0.04 0.09 0.44 -0.63 -3.72 0.00 0.00 177.10 173.33 2h45 s ILE 63 N 0.87 5.15 0.54 -5.21 1.01 0.36 -4.93 121.20 119.00 2h45 s ILE 63 Ca 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 2h45 s ILE 63 Cb -0.13 -4.15 0.11 0.00 0.01 0.00 0.00 42.46 38.30 2h45 s ILE 63 CO 0.03 -0.61 0.74 -0.81 0.00 0.00 0.00 174.94 174.29 2h45 n PRO 64 N 5.42 -0.08 -3.22 2.79 -0.04 -1.26 -2.29 135.00 136.32 2h45 n PRO 64 Ca -0.11 -1.81 -0.23 0.00 -0.04 0.00 0.00 63.50 61.31 2h45 n PRO 64 Cb 0.44 -0.56 0.03 0.00 -0.04 0.00 0.00 33.50 33.37 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 -3.06 -5.38 -4.82 3.54 8.00 -1.26 -4.91 116.55 108.67 2h45 n ASP 65 Ca 0.12 -0.37 -0.38 0.00 0.71 0.00 0.00 54.79 54.87 2h45 n ASP 65 Cb 0.41 -4.35 -0.06 0.00 -0.02 0.00 0.00 41.12 37.10 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 -6.72 4.50 -0.29 0.64 1.43 -1.17 -5.01 118.68 112.06 2h45 s LEU 66 Ca 0.38 1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 2h45 s LEU 66 Cb -0.18 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 2h45 s LEU 66 CO 0.46 0.27 1.75 -0.76 0.23 0.00 0.00 176.35 178.30 2h45 s LEU 67 N -1.20 3.64 0.34 1.79 1.43 -1.26 -4.45 118.68 118.96 2h45 s LEU 67 Ca 0.29 1.43 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 2h45 s LEU 67 Cb -0.18 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.39 2h45 s LEU 67 CO 0.18 -1.56 1.42 -2.65 0.23 0.00 0.00 176.35 173.98 2h45 n PRO 68 N 8.18 2.41 -1.32 1.29 -0.02 -1.26 -2.42 135.00 141.87 2h45 n PRO 68 Ca 0.22 0.85 -0.04 0.00 -2.02 0.00 0.00 63.50 62.50 2h45 n PRO 68 Cb 0.46 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 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 1.02 0.59 3.30 -1.23 0.00 -0.45 -5.02 105.19 103.40 2h45 n GLY 69 Ca 0.05 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.74 1.18 -0.18 1.61 1.81 -1.01 -4.90 118.95 114.72 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 -1.18 -0.05 0.00 -0.45 0.00 0.00 34.95 33.27 2h45 s ARG 70 CO 0.00 0.24 0.13 0.21 -0.68 0.00 0.00 175.30 175.20 2h45 s LYS 71 N -2.69 4.00 0.17 3.54 2.20 -1.26 -0.64 119.74 125.06 2h45 s LYS 71 Ca 0.13 -0.20 0.10 0.00 -0.36 0.00 0.00 55.97 55.64 2h45 s LYS 71 Cb -0.06 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2h45 s LYS 71 CO 0.05 0.42 -0.23 0.71 -0.36 0.00 0.00 175.35 175.94 2h45 s TYR 72 N 0.02 2.13 -0.20 4.03 1.51 0.08 -0.53 117.35 124.40 2h45 s TYR 72 Ca 0.10 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 2h45 s TYR 72 Cb -0.11 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 2h45 s TYR 72 CO -0.01 0.41 0.00 0.42 -1.11 0.00 0.00 175.55 175.27 2h45 s ILE 73 N -1.65 4.03 -0.10 2.71 1.01 0.14 -1.19 121.20 126.14 2h45 s ILE 73 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2h45 s ILE 73 Cb -0.08 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 2h45 s ILE 73 CO 0.08 0.43 -0.13 -0.69 0.00 0.00 0.00 174.94 174.63 2h45 s VAL 74 N 0.91 3.10 -0.05 2.92 1.01 0.15 -2.29 120.40 126.14 2h45 s VAL 74 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2h45 s VAL 74 Cb -0.14 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.00 2h45 s VAL 74 CO 0.02 0.55 -0.00 0.20 0.00 0.00 0.00 175.10 175.87 2h45 s ASN 75 N -0.07 1.13 -0.18 3.32 0.01 -0.60 -0.30 114.94 118.25 2h45 s ASN 75 Ca -0.02 -0.06 -0.06 0.00 -0.71 0.00 0.00 52.86 52.00 2h45 s ASN 75 Cb -0.14 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.13 2h45 s ASN 75 CO 0.04 -0.15 0.04 -0.69 -1.51 0.00 0.00 177.10 174.82 2h45 s VAL 76 N 1.56 4.56 -0.04 1.60 1.01 0.22 -1.48 120.40 127.83 2h45 s VAL 76 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2h45 s VAL 76 Cb -0.13 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2h45 s VAL 76 CO -0.03 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 2h45 s TYR 77 N 0.39 2.20 -0.16 5.22 1.51 0.37 -1.37 117.35 125.51 2h45 s TYR 77 Ca 0.01 -0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 55.45 2h45 s TYR 77 Cb -0.13 -1.43 -0.05 0.00 -0.11 0.00 0.00 41.96 40.25 2h45 s TYR 77 CO 0.01 -0.12 0.14 1.14 -1.11 0.00 0.00 175.55 175.61 2h45 s GLN 78 N -0.34 3.86 -0.23 -0.62 -2.07 -0.72 0.21 119.66 119.76 2h45 s GLN 78 Ca 0.03 -0.16 -0.12 0.00 -1.82 0.00 0.00 55.36 53.29 2h45 s GLN 78 Cb -0.11 -3.32 -0.05 0.00 -1.09 0.00 0.00 33.01 28.45 2h45 s GLN 78 CO 0.01 0.51 0.23 0.42 -1.32 0.00 0.00 175.29 175.15 2h45 s ILE 79 N -0.27 5.31 0.74 3.63 1.01 0.12 -2.33 121.20 129.41 2h45 s ILE 79 Ca 0.12 0.34 -0.09 0.00 0.00 0.00 0.00 60.65 61.02 2h45 s ILE 79 Cb -0.12 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.84 2h45 s ILE 79 CO 0.01 0.32 1.08 -0.94 0.00 0.00 0.00 174.94 175.41 2h45 s SER 80 N 1.05 4.81 0.64 3.58 1.04 0.60 0.28 113.70 125.69 2h45 s SER 80 Ca 0.11 0.66 0.37 0.00 0.48 0.00 0.00 55.95 57.57 2h45 s SER 80 Cb -0.14 -1.29 2.06 0.00 0.10 0.00 0.00 66.02 66.75 2h45 s SER 80 CO 0.05 -1.66 2.25 -0.33 0.98 0.00 0.00 173.24 174.54 2h45 h GLU 81 N -0.75 0.00 -0.02 4.02 5.08 -1.81 0.20 114.58 121.29 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 0.63 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.24 2h45 n ASP 82 N -3.38 2.06 0.00 1.42 5.68 -1.26 -4.93 116.55 116.14 2h45 n ASP 82 Ca -0.02 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 2h45 n ASP 82 Cb 0.15 -0.00 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 1.24 0.71 3.80 6.12 0.00 0.70 -5.06 105.19 112.70 2h45 n GLY 83 Ca 0.17 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.61 4.39 0.01 1.61 0.41 -1.26 -4.73 118.70 118.52 2h45 s GLU 84 Ca 0.00 1.06 0.04 0.00 -0.41 0.00 0.00 54.97 55.65 2h45 s GLU 84 Cb 0.00 -2.85 -0.03 0.00 -1.78 0.00 0.00 34.13 29.47 2h45 s GLU 84 CO 0.00 0.35 -0.07 -0.65 -0.49 0.00 0.00 175.26 174.40 2h45 s GLN 85 N -2.01 2.51 -0.02 1.61 -0.21 -1.26 -0.29 119.66 119.99 2h45 s GLN 85 Ca 0.46 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 55.09 2h45 s GLN 85 Cb -0.17 -2.48 0.02 0.00 1.00 0.00 0.00 33.01 31.38 2h45 s GLN 85 CO 0.22 0.59 -0.00 0.45 -2.12 0.00 0.00 175.29 174.43 2h45 s SER 86 N -1.49 0.35 -0.18 5.90 0.15 -0.99 -4.91 113.70 112.54 2h45 s SER 86 Ca 0.17 -0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.51 2h45 s SER 86 Cb -0.11 -0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 2h45 s SER 86 CO 0.08 -0.07 1.41 -0.22 1.20 0.00 0.00 173.24 175.64 2h45 s LEU 87 N 0.79 4.11 -0.06 3.45 2.96 -1.26 -1.75 118.68 126.91 2h45 s LEU 87 Ca -0.08 1.71 0.10 0.00 -0.22 0.00 0.00 54.13 55.64 2h45 s LEU 87 Cb -0.11 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.89 2h45 s LEU 87 CO -0.01 -0.94 0.13 2.30 -1.32 0.00 0.00 176.35 176.51 2h45 n ILE 88 N 5.73 0.39 -3.66 6.68 -5.35 -0.47 -5.00 119.36 117.68 2h45 n ILE 88 Ca 0.16 -0.36 -0.07 0.00 -0.27 0.00 0.00 62.75 62.21 2h45 n ILE 88 Cb 0.45 -0.28 -0.08 0.00 -1.74 0.00 0.00 39.64 37.99 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 -4.32 -0.73 -0.11 7.28 2.96 -1.21 -4.92 118.68 117.62 2h45 s LEU 89 Ca -0.05 1.26 -0.01 0.00 -0.22 0.00 0.00 54.13 55.11 2h45 s LEU 89 Cb 0.05 1.88 0.03 0.00 0.50 0.00 0.00 46.19 48.65 2h45 s LEU 89 CO 0.45 -0.22 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.69 2h45 s SER 90 N 2.15 2.11 0.03 3.68 0.15 -1.26 0.73 113.70 121.29 2h45 s SER 90 Ca -0.07 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 2h45 s SER 90 Cb -0.09 -0.62 0.01 0.00 -1.71 0.00 0.00 66.02 63.61 2h45 s SER 90 CO -0.16 -0.19 0.25 0.28 1.20 0.00 0.00 173.24 174.62 2h45 s THR 91 N 1.85 0.09 0.13 6.45 -1.32 0.59 -4.98 115.64 118.43 2h45 s THR 91 Ca 0.03 -0.73 0.07 0.00 -1.21 0.00 0.00 61.69 59.85 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 -0.07 -0.40 -0.07 -0.94 -2.21 0.00 0.00 174.62 170.93 2h45 s SER 92 N -1.93 4.53 0.04 8.08 1.04 -1.26 0.29 113.70 124.49 2h45 s SER 92 Ca -0.07 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 2h45 s SER 92 Cb -0.02 -0.90 -0.03 0.00 0.10 0.00 0.00 66.02 65.17 2h45 s SER 92 CO -0.02 0.15 -0.04 -1.10 0.98 0.00 0.00 173.24 173.21 2h45 s GLN 93 N -2.45 0.51 -0.29 4.02 -0.21 -0.34 -4.97 119.66 115.93 2h45 s GLN 93 Ca 0.24 -0.97 -0.02 0.00 0.02 0.00 0.00 55.36 54.62 2h45 s GLN 93 Cb -0.10 0.11 0.04 0.00 1.00 0.00 0.00 33.01 34.05 2h45 s GLN 93 CO 0.15 -0.07 -0.00 0.99 -2.12 0.00 0.00 175.29 174.24 2h45 s THR 94 N -2.81 3.07 -1.58 -0.19 2.01 -1.26 -0.74 115.64 114.14 2h45 s THR 94 Ca -0.02 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.74 2h45 s THR 94 Cb -0.00 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2h45 s THR 94 CO -0.06 -0.02 0.40 0.35 -0.69 0.00 0.00 174.62 174.60