#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 -0.34 -0.24 1.61 -0.02 -1.26 -4.85 135.00 129.90 2h45 n PRO 2 Ca 0.00 -0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.51 2h45 n PRO 2 Cb 0.00 -1.79 0.35 0.00 -0.02 0.00 0.00 33.50 32.04 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2h45 h LEU 3 N -1.55 0.69 0.00 2.45 4.07 -2.12 -3.47 115.31 115.38 2h45 h LEU 3 Ca -0.44 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2h45 h LEU 3 Cb 1.29 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2h45 h LEU 3 CO 0.34 0.40 0.00 0.61 -1.08 0.00 0.00 178.44 178.71 2h45 n GLY 4 N -1.43 0.44 3.75 0.83 0.00 -1.26 -4.78 105.19 102.74 2h45 n GLY 4 Ca 0.14 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2h45 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h45 s SER 5 N -4.00 5.21 -0.05 1.61 0.01 -1.26 -5.03 113.70 110.19 2h45 s SER 5 Ca 0.00 2.69 -0.02 0.00 1.31 0.00 0.00 55.95 59.93 2h45 s SER 5 Cb 0.00 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.64 2h45 s SER 5 CO 0.00 -1.60 0.10 -1.38 0.41 0.00 0.00 173.24 170.76 2h45 s HIS 6 N -1.35 -0.07 -0.39 2.43 -0.00 -1.26 -5.10 115.29 109.55 2h45 s HIS 6 Ca 0.73 0.35 0.03 0.00 -0.00 0.00 0.00 55.06 56.17 2h45 s HIS 6 Cb -0.39 -0.22 0.16 0.00 -0.00 0.00 0.00 32.58 32.13 2h45 s HIS 6 CO 0.45 -0.16 0.35 -0.51 -0.00 0.00 0.00 174.74 174.86 2h45 s LEU 7 N 1.46 0.57 -0.42 5.38 1.43 -1.26 -4.93 118.68 120.90 2h45 s LEU 7 Ca -0.05 -2.24 -0.05 0.00 -1.03 0.00 0.00 54.13 50.76 2h45 s LEU 7 Cb -0.12 0.10 0.05 0.00 0.03 0.00 0.00 46.19 46.25 2h45 s LEU 7 CO -0.04 -0.23 0.13 0.55 0.23 0.00 0.00 176.35 176.99 2h45 n VAL 8 N 3.63 0.00 -1.98 -1.59 3.14 -1.26 -4.74 118.33 115.53 2h45 n VAL 8 Ca 0.18 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.19 2h45 n VAL 8 Cb 0.45 -0.11 0.03 0.00 -1.06 0.00 0.00 33.84 33.15 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h45 s ALA 9 N -1.41 2.61 0.00 1.55 0.00 -1.26 -2.22 121.76 121.03 2h45 s ALA 9 Ca 0.19 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2h45 s ALA 9 Cb -0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2h45 s ALA 9 CO 0.23 -1.19 0.00 2.41 0.00 0.00 0.00 175.76 177.21 2h45 n THR 10 N -1.44 0.00 0.00 0.00 -1.04 -1.26 -4.82 114.28 105.72 2h45 n THR 10 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2h45 n THR 10 Cb 0.49 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2h45 n THR 10 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2h45 n SER 11 N 0.00 0.00 -4.73 8.00 3.41 -0.94 -4.14 113.62 115.21 2h45 n SER 11 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2h45 n SER 11 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2h45 n SER 11 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2h45 s GLU 12 N 0.00 4.17 0.00 4.33 -1.05 -1.26 -4.97 118.70 119.92 2h45 s GLU 12 Ca 0.00 -0.20 0.23 0.00 -0.15 0.00 0.00 54.97 54.85 2h45 s GLU 12 Cb 0.00 -3.41 0.66 0.00 -0.44 0.00 0.00 34.13 30.94 2h45 s GLU 12 CO 0.00 0.31 1.51 -1.13 0.95 0.00 0.00 175.26 176.91 2h45 n SER 13 N 3.47 2.23 -1.06 0.83 3.41 -1.26 -4.00 113.62 117.24 2h45 n SER 13 Ca -0.16 -1.77 0.02 0.00 -0.26 0.00 0.00 58.87 56.70 2h45 n SER 13 Cb 0.52 -0.10 0.24 0.00 -0.26 0.00 0.00 64.21 64.61 2h45 n SER 13 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2h45 n VAL 14 N 0.71 2.44 -0.25 -3.33 0.24 -1.26 -3.72 118.33 113.15 2h45 n VAL 14 Ca 0.17 -2.19 0.03 0.00 -2.04 0.00 0.00 64.34 60.31 2h45 n VAL 14 Cb 0.44 -0.29 0.08 0.00 -1.47 0.00 0.00 33.84 32.60 2h45 n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2h45 n THR 15 N -0.76 -0.31 -0.33 3.34 -1.04 -1.26 0.27 114.28 114.20 2h45 n THR 15 Ca 0.28 1.61 -0.04 0.00 -2.04 0.00 0.00 64.05 63.86 2h45 n THR 15 Cb 0.99 -2.20 -0.05 0.00 -1.82 0.00 0.00 70.33 67.24 2h45 n THR 15 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2h45 n GLU 16 N -5.12 0.66 0.10 -2.82 -0.00 -1.26 -4.30 120.64 107.90 2h45 n GLU 16 Ca 0.10 -0.31 0.06 0.00 -0.00 0.00 0.00 57.16 57.01 2h45 n GLU 16 Cb 0.34 -1.64 0.31 0.00 -0.00 0.00 0.00 31.44 30.45 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2h45 n ILE 17 N 2.74 1.29 -0.97 3.84 5.41 0.14 -2.98 119.36 128.83 2h45 n ILE 17 Ca 0.13 0.64 -0.34 0.00 1.00 0.00 0.00 62.75 64.19 2h45 n ILE 17 Cb 0.30 -1.64 0.11 0.00 -0.71 0.00 0.00 39.64 37.70 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 -1.89 0.84 -1.94 1.39 -2.24 -1.26 -0.63 114.28 108.55 2h45 n THR 18 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2h45 n THR 18 Cb 0.08 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -3.23 -0.69 -2.51 6.98 0.00 -1.26 0.30 120.51 120.09 2h45 n ALA 19 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 2h45 n ALA 19 Cb 0.52 -0.38 -0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.91 -4.81 -3.65 0.00 3.41 0.20 -0.78 113.62 107.07 2h45 n SER 20 Ca 0.00 0.06 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 2h45 n SER 20 Cb 0.35 -4.03 0.28 0.00 -0.26 0.00 0.00 64.21 60.55 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 -1.95 -3.41 -3.78 4.04 3.41 0.86 -4.54 113.62 108.25 2h45 n SER 21 Ca -0.18 -0.63 -0.13 0.00 -0.26 0.00 0.00 58.87 57.68 2h45 n SER 21 Cb 0.64 -1.06 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 2h45 n SER 21 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2h45 s PHE 22 N -2.19 -0.19 -0.32 7.33 0.08 -0.77 -4.57 117.98 117.35 2h45 s PHE 22 Ca 0.66 0.37 0.03 0.00 0.12 0.00 0.00 56.93 58.11 2h45 s PHE 22 Cb -0.16 0.07 0.09 0.00 -0.57 0.00 0.00 43.02 42.46 2h45 s PHE 22 CO 0.58 -0.29 0.02 0.08 -0.10 0.00 0.00 175.22 175.51 2h45 s VAL 23 N -0.84 2.14 -0.09 -0.44 1.01 -1.24 0.15 120.40 121.09 2h45 s VAL 23 Ca -0.09 -2.12 -0.00 0.00 0.00 0.00 0.00 61.98 59.76 2h45 s VAL 23 Cb -0.05 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2h45 s VAL 23 CO 0.02 -0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 173.89 2h45 s VAL 24 N 1.00 3.74 0.13 2.92 1.01 -0.86 -4.76 120.40 123.58 2h45 s VAL 24 Ca 0.07 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.69 2h45 s VAL 24 Cb -0.19 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2h45 s VAL 24 CO -0.08 0.57 -0.22 -0.94 0.00 0.00 0.00 175.10 174.43 2h45 s SER 25 N -0.46 2.83 0.12 3.32 1.04 -1.26 -1.66 113.70 117.63 2h45 s SER 25 Ca 0.07 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.75 2h45 s SER 25 Cb -0.12 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.82 2h45 s SER 25 CO 0.02 0.07 0.13 -2.67 0.98 0.00 0.00 173.24 171.77 2h45 n TRP 26 N 0.77 -0.51 -4.77 5.02 2.14 -0.23 -4.99 117.44 114.87 2h45 n TRP 26 Ca -0.17 -0.89 -0.33 0.00 2.07 0.00 0.00 57.50 58.18 2h45 n TRP 26 Cb 0.55 0.14 -0.14 0.00 -0.81 0.00 0.00 31.31 31.05 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 -2.51 3.14 0.65 -1.67 1.01 -1.26 -4.76 120.40 115.00 2h45 s VAL 27 Ca 0.12 -0.65 0.21 0.00 0.00 0.00 0.00 61.98 61.66 2h45 s VAL 27 Cb 0.00 -2.30 0.22 0.00 0.00 0.00 0.00 36.38 34.31 2h45 s VAL 27 CO 0.09 0.54 1.60 0.77 0.00 0.00 0.00 175.10 178.10 2h45 h SER 28 N 6.34 0.00 0.00 3.32 4.64 -1.93 -3.42 113.55 122.50 2h45 h SER 28 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2h45 h SER 28 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2h45 h SER 28 CO 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 2h45 n ALA 29 N -1.84 0.00 -3.65 5.18 0.00 -1.26 -4.63 120.51 114.31 2h45 n ALA 29 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2h45 n ALA 29 Cb 0.67 -0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.38 -0.13 0.00 0.00 0.01 -1.26 -5.01 113.70 106.92 2h45 s SER 30 Ca 0.00 0.24 0.22 0.00 1.31 0.00 0.00 55.95 57.71 2h45 s SER 30 Cb 0.00 0.54 0.59 0.00 0.21 0.00 0.00 66.02 67.36 2h45 s SER 30 CO 0.00 -0.04 1.47 -0.90 0.41 0.00 0.00 173.24 174.18 2h45 n ASP 31 N 2.25 2.46 -0.82 2.44 5.68 -1.26 -3.80 116.55 123.51 2h45 n ASP 31 Ca -0.13 -1.84 0.10 0.00 -0.50 0.00 0.00 54.79 52.42 2h45 n ASP 31 Cb 0.57 -0.16 0.28 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.85 0.42 -2.73 2.12 -2.24 -1.26 -4.91 114.28 106.52 2h45 n THR 32 Ca 0.17 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 2h45 n THR 32 Cb 0.46 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.58 4.43 -0.65 2.28 0.11 -1.25 -2.66 120.40 121.08 2h45 s VAL 33 Ca 0.34 2.07 0.23 0.00 -2.93 0.00 0.00 61.98 61.69 2h45 s VAL 33 Cb 0.19 -4.32 -0.13 0.00 -1.53 0.00 0.00 36.38 30.59 2h45 s VAL 33 CO 0.26 0.35 1.01 -1.20 -3.33 0.00 0.00 175.10 172.20 2h45 n SER 34 N 2.56 0.62 0.00 3.54 7.64 1.48 -4.62 113.62 124.83 2h45 n SER 34 Ca 0.01 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.62 2h45 n SER 34 Cb 0.49 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 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 1.38 -0.57 3.29 0.23 0.00 -1.13 -3.38 105.19 105.01 2h45 n GLY 35 Ca 0.02 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 1.74 -0.08 1.61 0.08 0.46 0.26 117.98 120.05 2h45 s PHE 36 Ca 0.00 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2h45 s PHE 36 Cb 0.00 -0.94 0.02 0.00 -0.57 0.00 0.00 43.02 41.53 2h45 s PHE 36 CO 0.00 0.22 -0.06 0.50 -0.10 0.00 0.00 175.22 175.78 2h45 s ARG 37 N -2.10 1.18 -0.12 0.44 3.52 0.12 0.21 118.95 122.19 2h45 s ARG 37 Ca 0.08 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.48 2h45 s ARG 37 Cb -0.09 -1.22 -0.03 0.00 -1.56 0.00 0.00 34.95 32.05 2h45 s ARG 37 CO 0.05 -0.17 -0.02 0.08 -0.81 0.00 0.00 175.30 174.42 2h45 s VAL 38 N 1.36 4.06 -0.11 7.11 1.01 0.51 -0.26 120.40 134.07 2h45 s VAL 38 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2h45 s VAL 38 Cb -0.14 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2h45 s VAL 38 CO -0.03 0.54 -0.20 -0.70 0.00 0.00 0.00 175.10 174.71 2h45 s GLU 39 N -0.21 2.73 -0.02 2.72 2.12 0.03 -0.97 118.70 125.09 2h45 s GLU 39 Ca 0.04 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.63 2h45 s GLU 39 Cb -0.13 -2.18 0.01 0.00 0.26 0.00 0.00 34.13 32.10 2h45 s GLU 39 CO 0.02 0.04 -0.04 1.52 -0.54 0.00 0.00 175.26 176.26 2h45 s TYR 40 N 0.69 0.56 0.17 5.30 1.13 -1.07 -0.94 117.35 123.21 2h45 s TYR 40 Ca -0.11 -0.12 -0.09 0.00 -1.41 0.00 0.00 57.07 55.34 2h45 s TYR 40 Cb -0.16 -0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.21 2h45 s TYR 40 CO 0.02 -0.10 0.29 -1.83 -2.51 0.00 0.00 175.55 171.42 2h45 s GLU 41 N 0.50 1.18 0.04 -3.49 -1.05 -0.96 -2.61 118.70 112.31 2h45 s GLU 41 Ca -0.06 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.27 2h45 s GLU 41 Cb -0.09 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 2h45 s GLU 41 CO -0.00 -0.44 1.19 -0.51 0.95 0.00 0.00 175.26 176.45 2h45 s LEU 42 N -2.98 4.36 0.29 1.83 1.43 -1.26 0.06 118.68 122.41 2h45 s LEU 42 Ca 0.18 1.97 0.26 0.00 -1.03 0.00 0.00 54.13 55.51 2h45 s LEU 42 Cb 0.03 -3.58 0.90 0.00 0.03 0.00 0.00 46.19 43.58 2h45 s LEU 42 CO 0.01 -0.47 1.76 0.77 0.23 0.00 0.00 176.35 178.65 2h45 h SER 43 N 6.89 0.00 0.00 2.29 4.64 -0.35 -1.72 113.55 125.30 2h45 h SER 43 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 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 0.82 0.00 -0.44 -0.62 -0.87 0.00 0.00 176.83 175.71 2h45 n GLU 44 N -2.42 0.23 0.06 4.77 1.02 -1.26 -4.61 120.64 118.44 2h45 n GLU 44 Ca 0.03 0.09 0.03 0.00 -0.02 0.00 0.00 57.16 57.29 2h45 n GLU 44 Cb 0.34 -0.91 0.39 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.44 0.40 -0.43 3.49 5.08 -1.91 -3.46 114.58 117.31 2h45 h GLU 45 Ca 0.00 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2h45 h GLU 45 Cb 0.44 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2h45 h GLU 45 CO 0.00 0.39 -0.17 0.41 -1.00 0.00 0.00 179.01 178.64 2h45 n GLY 46 N -1.11 1.07 3.16 -3.84 0.00 -0.64 -4.97 105.19 98.85 2h45 n GLY 46 Ca 0.01 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 0.19 -2.61 -4.76 1.61 8.00 -1.26 -4.81 116.55 112.91 2h45 n ASP 47 Ca -0.09 -0.12 -0.41 0.00 0.71 0.00 0.00 54.79 54.87 2h45 n ASP 47 Cb 0.33 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2h45 n GLU 48 N -0.64 2.64 -2.38 -1.24 0.00 -1.26 -4.58 120.64 113.18 2h45 n GLU 48 Ca 0.00 0.93 -0.33 0.00 0.00 0.00 0.00 57.16 57.76 2h45 n GLU 48 Cb 0.63 -2.67 -0.02 0.00 0.00 0.00 0.00 31.44 29.38 2h45 n GLU 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2h45 s PRO 49 N -1.47 3.67 0.13 3.44 0.04 -1.26 -4.85 135.00 134.70 2h45 s PRO 49 Ca 0.58 1.28 0.09 0.00 0.04 0.00 0.00 61.00 62.98 2h45 s PRO 49 Cb -0.49 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2h45 s PRO 49 CO 0.58 -0.53 -0.17 -0.65 0.04 0.00 0.00 177.00 176.27 2h45 s GLN 50 N -3.56 1.81 -0.03 4.56 -0.21 -1.07 -4.98 119.66 116.19 2h45 s GLN 50 Ca 0.65 -1.22 0.06 0.00 0.02 0.00 0.00 55.36 54.87 2h45 s GLN 50 Cb -0.16 -2.10 -0.01 0.00 1.00 0.00 0.00 33.01 31.74 2h45 s GLN 50 CO 0.26 0.47 -0.19 0.71 -2.12 0.00 0.00 175.29 174.41 2h45 s TYR 51 N -1.29 1.81 -0.07 0.91 2.02 -1.26 -2.58 117.35 116.89 2h45 s TYR 51 Ca 0.19 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 2h45 s TYR 51 Cb -0.10 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.28 2h45 s TYR 51 CO 0.11 -0.08 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.32 2h45 s LEU 52 N -0.30 1.86 -0.15 -1.29 1.43 -0.15 -4.94 118.68 115.15 2h45 s LEU 52 Ca 0.03 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2h45 s LEU 52 Cb -0.09 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2h45 s LEU 52 CO 0.00 0.11 0.05 -1.81 0.23 0.00 0.00 176.35 174.93 2h45 s ASP 53 N 0.39 5.53 0.10 2.29 1.01 -1.26 -0.37 116.67 124.37 2h45 s ASP 53 Ca -0.13 0.11 0.05 0.00 0.71 0.00 0.00 52.55 53.29 2h45 s ASP 53 Cb -0.15 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 2h45 s ASP 53 CO 0.05 0.24 -0.14 -0.76 0.21 0.00 0.00 175.17 174.78 2h45 s LEU 54 N -0.04 2.37 0.68 1.23 1.43 0.13 -4.95 118.68 119.53 2h45 s LEU 54 Ca 0.05 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.25 2h45 s LEU 54 Cb -0.12 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.60 2h45 s LEU 54 CO 0.01 -0.14 1.15 -2.16 0.23 0.00 0.00 176.35 175.44 2h45 s PRO 55 N -2.41 2.55 0.17 1.29 0.04 -1.26 0.17 135.00 135.55 2h45 s PRO 55 Ca 0.05 1.56 0.10 0.00 0.04 0.00 0.00 61.00 62.75 2h45 s PRO 55 Cb -0.06 -1.90 0.52 0.00 0.04 0.00 0.00 34.50 33.10 2h45 s PRO 55 CO 0.02 -1.47 1.23 -1.13 0.04 0.00 0.00 177.00 175.69 2h45 n SER 56 N -2.47 0.25 -0.02 6.66 3.41 -1.22 0.73 113.62 120.96 2h45 n SER 56 Ca 0.12 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 2h45 n SER 56 Cb 0.51 -0.57 0.14 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.87 6.66 -2.24 -1.26 -4.89 114.28 107.86 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 0.12 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.97 3.34 -0.00 6.98 0.00 0.23 -4.94 121.76 124.39 2h45 s ALA 58 Ca 0.11 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2h45 s ALA 58 Cb 0.17 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.20 2h45 s ALA 58 CO 0.74 0.10 0.82 0.25 0.00 0.00 0.00 175.76 177.66 2h45 n THR 59 N 2.41 0.63 -3.54 0.00 -2.24 -1.26 -4.88 114.28 105.40 2h45 n THR 59 Ca -0.01 -0.65 -0.14 0.00 -2.27 0.00 0.00 64.05 60.98 2h45 n THR 59 Cb 0.49 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.69 -0.52 0.02 3.42 1.04 -1.26 -1.06 113.70 114.64 2h45 s SER 60 Ca 0.01 0.55 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 2h45 s SER 60 Cb 0.01 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2h45 s SER 60 CO 0.00 -0.50 0.36 0.54 0.98 0.00 0.00 173.24 174.62 2h45 s VAL 61 N -1.24 0.06 -0.21 5.02 0.11 -0.66 -5.00 120.40 118.47 2h45 s VAL 61 Ca -0.06 -0.52 -0.08 0.00 -2.93 0.00 0.00 61.98 58.39 2h45 s VAL 61 Cb -0.00 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2h45 s VAL 61 CO 0.05 -0.28 0.09 0.21 -3.33 0.00 0.00 175.10 171.84 2h45 s ASN 62 N -1.79 5.63 -0.49 3.54 3.84 -1.26 -2.02 114.94 122.39 2h45 s ASN 62 Ca -0.08 0.02 -0.13 0.00 0.21 0.00 0.00 52.86 52.89 2h45 s ASN 62 Cb -0.02 -1.99 0.11 0.00 -0.55 0.00 0.00 41.25 38.80 2h45 s ASN 62 CO -0.00 0.10 0.40 -0.63 -2.79 0.00 0.00 177.10 174.18 2h45 s ILE 63 N 0.81 4.77 0.40 -5.21 1.01 0.12 -4.93 121.20 118.18 2h45 s ILE 63 Ca 0.05 -1.48 -0.01 0.00 0.00 0.00 0.00 60.65 59.21 2h45 s ILE 63 Cb -0.13 -4.02 0.08 0.00 0.01 0.00 0.00 42.46 38.40 2h45 s ILE 63 CO 0.02 -0.73 0.55 -0.81 0.00 0.00 0.00 174.94 173.98 2h45 n PRO 64 N 5.09 0.17 -3.04 2.79 -0.04 -1.26 -1.84 135.00 136.86 2h45 n PRO 64 Ca -0.11 -1.45 -0.22 0.00 -0.04 0.00 0.00 63.50 61.68 2h45 n PRO 64 Cb 0.41 -0.38 0.03 0.00 -0.04 0.00 0.00 33.50 33.52 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 -2.98 -5.80 -4.88 3.54 8.00 -1.26 -4.93 116.55 108.24 2h45 n ASP 65 Ca 0.09 -0.29 -0.30 0.00 0.71 0.00 0.00 54.79 55.00 2h45 n ASP 65 Cb 0.32 -4.70 -0.04 0.00 -0.02 0.00 0.00 41.12 36.68 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 -6.64 3.99 -0.44 0.64 1.43 0.04 -5.04 118.68 112.65 2h45 s LEU 66 Ca 0.31 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 54.21 2h45 s LEU 66 Cb -0.14 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.26 2h45 s LEU 66 CO 0.38 -0.26 0.62 -0.76 0.23 0.00 0.00 176.35 176.56 2h45 s LEU 67 N -3.45 4.55 0.32 1.79 1.43 -1.26 -4.16 118.68 117.89 2h45 s LEU 67 Ca 0.49 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 2h45 s LEU 67 Cb -0.11 -2.69 -0.12 0.00 0.03 0.00 0.00 46.19 43.30 2h45 s LEU 67 CO 0.27 -0.76 1.35 -2.65 0.23 0.00 0.00 176.35 174.79 2h45 n PRO 68 N 6.19 2.18 -0.91 1.29 -0.02 -1.26 -2.04 135.00 140.43 2h45 n PRO 68 Ca -0.02 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2h45 n PRO 68 Cb 0.48 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 1.15 0.48 3.25 -1.23 0.00 -1.26 -5.04 105.19 102.54 2h45 n GLY 69 Ca 0.06 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.18 1.14 -0.14 1.61 1.81 -0.87 -4.96 118.95 116.36 2h45 s ARG 70 Ca 0.00 -1.04 -0.12 0.00 -1.72 0.00 0.00 55.73 52.86 2h45 s ARG 70 Cb 0.00 -1.31 -0.05 0.00 -0.45 0.00 0.00 34.95 33.15 2h45 s ARG 70 CO 0.00 0.31 0.24 0.21 -0.68 0.00 0.00 175.30 175.39 2h45 s LYS 71 N -1.61 4.02 0.15 3.54 2.20 -1.26 -2.43 119.74 124.34 2h45 s LYS 71 Ca 0.05 0.03 0.11 0.00 -0.36 0.00 0.00 55.97 55.80 2h45 s LYS 71 Cb -0.09 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2h45 s LYS 71 CO 0.03 0.43 -0.23 0.71 -0.36 0.00 0.00 175.35 175.93 2h45 s TYR 72 N -0.08 2.37 -0.19 4.03 1.51 -0.22 0.41 117.35 125.17 2h45 s TYR 72 Ca 0.15 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2h45 s TYR 72 Cb -0.13 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2h45 s TYR 72 CO 0.04 0.40 -0.01 0.42 -1.11 0.00 0.00 175.55 175.29 2h45 s ILE 73 N -1.28 3.89 -0.12 2.71 1.01 0.11 -1.26 121.20 126.26 2h45 s ILE 73 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.49 2h45 s ILE 73 Cb -0.09 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2h45 s ILE 73 CO 0.08 0.44 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 2h45 s VAL 74 N 0.90 3.14 -0.05 2.92 1.01 0.21 -2.28 120.40 126.25 2h45 s VAL 74 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2h45 s VAL 74 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 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 0.16 1.08 -0.18 3.32 0.01 -0.11 -0.73 114.94 118.49 2h45 s ASN 75 Ca -0.07 -0.11 -0.06 0.00 -0.71 0.00 0.00 52.86 51.91 2h45 s ASN 75 Cb -0.15 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.05 2h45 s ASN 75 CO 0.05 -0.10 0.04 -0.69 -1.51 0.00 0.00 177.10 174.89 2h45 s VAL 76 N 1.22 4.50 -0.04 1.60 1.01 0.60 -0.79 120.40 128.49 2h45 s VAL 76 Ca -0.06 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2h45 s VAL 76 Cb -0.14 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2h45 s VAL 76 CO -0.02 0.45 -0.26 -0.31 0.00 0.00 0.00 175.10 174.97 2h45 s TYR 77 N 0.54 2.38 -0.15 5.22 2.02 0.64 -1.60 117.35 126.41 2h45 s TYR 77 Ca 0.02 -0.58 -0.07 0.00 -0.37 0.00 0.00 57.07 56.06 2h45 s TYR 77 Cb -0.13 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 2h45 s TYR 77 CO 0.01 -0.13 0.10 1.14 -1.57 0.00 0.00 175.55 175.11 2h45 s GLN 78 N -0.39 3.66 -0.26 -0.62 -2.07 -0.63 0.10 119.66 119.46 2h45 s GLN 78 Ca 0.03 -0.24 -0.12 0.00 -1.82 0.00 0.00 55.36 53.22 2h45 s GLN 78 Cb -0.12 -3.19 -0.05 0.00 -1.09 0.00 0.00 33.01 28.57 2h45 s GLN 78 CO 0.01 0.55 0.22 0.42 -1.32 0.00 0.00 175.29 175.18 2h45 s ILE 79 N -0.39 5.30 0.75 3.63 1.01 0.14 -2.08 121.20 129.56 2h45 s ILE 79 Ca 0.11 0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 2h45 s ILE 79 Cb -0.12 -3.56 0.07 0.00 0.01 0.00 0.00 42.46 38.86 2h45 s ILE 79 CO 0.02 0.27 1.09 -0.94 0.00 0.00 0.00 174.94 175.37 2h45 s SER 80 N 1.42 4.65 0.64 3.58 1.04 0.09 0.43 113.70 125.56 2h45 s SER 80 Ca 0.09 0.57 0.42 0.00 0.48 0.00 0.00 55.95 57.52 2h45 s SER 80 Cb -0.15 -1.15 2.31 0.00 0.10 0.00 0.00 66.02 67.14 2h45 s SER 80 CO 0.08 -1.75 2.30 -0.33 0.98 0.00 0.00 173.24 174.53 2h45 h GLU 81 N -0.80 0.00 -0.02 4.02 3.07 -1.84 0.10 114.58 119.11 2h45 h GLU 81 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2h45 h GLU 81 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 2h45 h GLU 81 CO 0.62 0.00 -0.04 -0.40 -1.40 0.00 0.00 179.01 177.79 2h45 n ASP 82 N -3.01 1.73 0.00 1.42 5.68 -1.26 -4.91 116.55 116.19 2h45 n ASP 82 Ca -0.03 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2h45 n ASP 82 Cb 0.09 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.23 0.65 3.80 6.12 0.00 0.35 -5.04 105.19 112.29 2h45 n GLY 83 Ca 0.17 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.35 4.38 0.02 1.61 0.41 -1.26 -4.78 118.70 118.73 2h45 s GLU 84 Ca 0.00 0.99 0.02 0.00 -0.41 0.00 0.00 54.97 55.57 2h45 s GLU 84 Cb 0.00 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.28 2h45 s GLU 84 CO 0.00 0.47 0.02 -0.65 -0.49 0.00 0.00 175.26 174.61 2h45 s GLN 85 N -1.62 2.81 -0.03 1.61 -0.21 -1.26 -0.73 119.66 120.24 2h45 s GLN 85 Ca 0.40 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.16 2h45 s GLN 85 Cb -0.19 -2.69 0.02 0.00 1.00 0.00 0.00 33.01 31.15 2h45 s GLN 85 CO 0.23 0.61 -0.00 0.45 -2.12 0.00 0.00 175.29 174.46 2h45 s SER 86 N -1.76 0.38 -0.19 5.90 0.15 -0.88 -4.92 113.70 112.39 2h45 s SER 86 Ca 0.22 -0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 2h45 s SER 86 Cb -0.12 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2h45 s SER 86 CO 0.13 -0.09 1.40 -0.22 1.20 0.00 0.00 173.24 175.66 2h45 s LEU 87 N 0.92 4.08 -0.04 3.45 2.96 -1.26 -1.60 118.68 127.19 2h45 s LEU 87 Ca -0.09 1.66 0.13 0.00 -0.22 0.00 0.00 54.13 55.61 2h45 s LEU 87 Cb -0.13 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.83 2h45 s LEU 87 CO -0.02 -0.95 0.26 2.30 -1.32 0.00 0.00 176.35 176.62 2h45 n ILE 88 N 5.77 0.14 -3.66 6.68 -5.35 -0.63 -4.98 119.36 117.34 2h45 n ILE 88 Ca 0.16 -0.35 -0.07 0.00 -0.27 0.00 0.00 62.75 62.22 2h45 n ILE 88 Cb 0.45 0.05 -0.08 0.00 -1.74 0.00 0.00 39.64 38.32 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 -4.11 -0.75 -0.12 7.28 2.96 -1.22 -4.93 118.68 117.79 2h45 s LEU 89 Ca -0.05 1.29 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2h45 s LEU 89 Cb 0.08 1.93 0.03 0.00 0.50 0.00 0.00 46.19 48.73 2h45 s LEU 89 CO 0.56 -0.22 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.77 2h45 s SER 90 N 2.10 2.24 0.21 3.68 0.15 -1.26 -0.29 113.70 120.54 2h45 s SER 90 Ca -0.07 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.07 2h45 s SER 90 Cb -0.09 -0.77 0.01 0.00 -1.71 0.00 0.00 66.02 63.46 2h45 s SER 90 CO -0.17 -0.16 0.47 0.28 1.20 0.00 0.00 173.24 174.87 2h45 s THR 91 N 1.75 0.02 0.16 6.45 -1.32 0.09 -5.02 115.64 117.77 2h45 s THR 91 Ca 0.04 -1.16 0.06 0.00 -1.21 0.00 0.00 61.69 59.42 2h45 s THR 91 Cb -0.13 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 2h45 s THR 91 CO -0.08 -0.10 -0.13 -0.94 -2.21 0.00 0.00 174.62 171.16 2h45 s SER 92 N -2.95 2.16 0.08 8.08 1.04 -1.26 0.64 113.70 121.49 2h45 s SER 92 Ca 0.16 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.62 2h45 s SER 92 Cb -0.00 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2h45 s SER 92 CO 0.03 -0.20 0.07 -1.10 0.98 0.00 0.00 173.24 173.02 2h45 s GLN 93 N -3.27 0.77 -0.20 4.02 -0.21 -0.39 -4.96 119.66 115.40 2h45 s GLN 93 Ca 0.16 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.38 2h45 s GLN 93 Cb -0.02 0.27 0.04 0.00 1.00 0.00 0.00 33.01 34.30 2h45 s GLN 93 CO 0.04 -0.20 -0.13 0.99 -2.12 0.00 0.00 175.29 173.87 2h45 s THR 94 N -3.93 1.84 -2.00 -0.19 2.01 -1.26 -1.06 115.64 111.05 2h45 s THR 94 Ca 0.10 -1.10 0.12 0.00 0.31 0.00 0.00 61.69 61.12 2h45 s THR 94 Cb 0.07 -1.85 0.34 0.00 0.01 0.00 0.00 72.50 71.07 2h45 s THR 94 CO -0.08 0.23 1.15 0.35 -0.69 0.00 0.00 174.62 175.58