#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 0.38 0.00 1.61 -0.04 -1.26 -4.82 135.00 130.87 2h45 n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2h45 n PRO 2 Cb 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2h45 n LEU 3 N -0.66 0.00 0.00 1.53 0.00 -1.26 -4.89 117.00 111.72 2h45 n LEU 3 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 2h45 n LEU 3 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.43 2h45 n LEU 3 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.02 2h45 n GLY 4 N 0.00 -0.15 2.35 -3.96 0.00 -1.26 -4.96 105.19 97.21 2h45 n GLY 4 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2h45 n SER 5 N 0.75 -4.19 -0.35 1.61 2.88 -1.26 -4.88 113.62 108.17 2h45 n SER 5 Ca 0.00 0.12 0.11 0.00 -1.33 0.00 0.00 58.87 57.76 2h45 n SER 5 Cb 0.00 -2.11 0.29 0.00 -0.75 0.00 0.00 64.21 61.63 2h45 n SER 5 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2h45 h HIS 6 N 0.00 1.07 -3.43 0.66 2.07 -1.96 -3.37 115.15 110.20 2h45 h HIS 6 Ca -0.10 0.03 -0.59 0.00 -2.85 0.00 0.00 60.37 56.86 2h45 h HIS 6 Cb 0.52 -0.33 -0.10 0.00 2.57 0.00 0.00 27.41 30.07 2h45 h HIS 6 CO 0.26 0.30 0.03 -1.17 -3.07 0.00 0.00 177.93 174.28 2h45 s LEU 7 N -10.28 4.17 0.12 6.12 2.96 -1.26 -4.93 118.68 115.58 2h45 s LEU 7 Ca -0.12 0.78 0.26 0.00 -0.22 0.00 0.00 54.13 54.84 2h45 s LEU 7 Cb 0.24 -2.80 0.76 0.00 0.50 0.00 0.00 46.19 44.89 2h45 s LEU 7 CO 0.80 -0.20 1.67 0.52 -1.32 0.00 0.00 176.35 177.82 2h45 n VAL 8 N 4.49 0.35 0.00 1.68 0.31 -1.26 -4.92 118.33 118.99 2h45 n VAL 8 Ca -0.03 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2h45 n VAL 8 Cb 0.50 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 -1.71 0.00 -2.04 3.52 0.00 -1.26 -4.93 120.51 114.09 2h45 n ALA 9 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2h45 n ALA 9 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2h45 n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2h45 s THR 10 N 0.00 4.24 -0.00 0.00 2.01 -1.26 -4.74 115.64 115.88 2h45 s THR 10 Ca 0.00 2.01 -0.00 0.00 0.31 0.00 0.00 61.69 64.00 2h45 s THR 10 Cb 0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 2h45 s THR 10 CO 0.00 0.38 0.32 -0.24 -0.69 0.00 0.00 174.62 174.39 2h45 n SER 11 N 2.23 -0.62 -1.60 3.53 2.88 -1.26 -3.95 113.62 114.82 2h45 n SER 11 Ca 0.01 -0.44 0.01 0.00 -1.33 0.00 0.00 58.87 57.12 2h45 n SER 11 Cb 0.48 -0.19 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 1.41 -4.10 -0.14 -1.46 1.02 -1.26 -4.54 120.64 111.57 2h45 n GLU 12 Ca 0.00 3.19 0.01 0.00 -0.02 0.00 0.00 57.16 60.34 2h45 n GLU 12 Cb 0.15 -4.03 0.28 0.00 -0.02 0.00 0.00 31.44 27.83 2h45 n GLU 12 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2h45 h SER 13 N 0.10 0.73 -4.33 1.62 0.87 -1.96 -3.42 113.55 107.16 2h45 h SER 13 Ca -0.01 -0.05 -0.65 0.00 -1.23 0.00 0.00 61.79 59.85 2h45 h SER 13 Cb 0.99 -0.19 -0.27 0.00 -0.44 0.00 0.00 62.40 62.50 2h45 h SER 13 CO 0.00 0.58 -0.87 0.68 -0.53 0.00 0.00 176.83 176.70 2h45 s VAL 14 N -5.60 1.95 0.00 2.23 -7.23 -1.26 -4.84 120.40 105.65 2h45 s VAL 14 Ca -0.10 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2h45 s VAL 14 Cb 0.17 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.44 2h45 s VAL 14 CO 0.77 0.35 0.00 0.41 -0.31 0.00 0.00 175.10 176.32 2h45 n THR 15 N 1.92 0.00 -0.79 5.32 -1.04 -1.26 -4.87 114.28 113.56 2h45 n THR 15 Ca -0.17 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.50 2h45 n THR 15 Cb 0.52 -0.18 -0.06 0.00 -1.82 0.00 0.00 70.33 68.79 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 -0.58 -1.26 -4.78 120.64 111.20 2h45 n GLU 16 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2h45 n GLU 16 Cb 0.00 -0.81 -0.06 0.00 -0.57 0.00 0.00 31.44 29.99 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2h45 n ILE 17 N 2.98 0.00 -1.06 -3.67 5.41 -1.26 -3.91 119.36 117.86 2h45 n ILE 17 Ca 0.25 -0.22 -0.33 0.00 1.00 0.00 0.00 62.75 63.44 2h45 n ILE 17 Cb -0.03 0.43 0.13 0.00 -0.71 0.00 0.00 39.64 39.46 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 -1.69 1.68 -1.40 1.39 -2.24 -1.26 -0.68 114.28 110.07 2h45 n THR 18 Ca -0.01 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 2h45 n THR 18 Cb 0.21 -1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 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 -3.32 -0.23 -3.22 6.98 0.00 -1.26 0.17 120.51 119.63 2h45 n ALA 19 Ca 0.13 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 2h45 n ALA 19 Cb 0.51 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.07 -5.76 -4.69 0.00 3.41 0.14 -1.40 113.62 105.26 2h45 n SER 20 Ca -0.07 -0.37 -0.31 0.00 -0.26 0.00 0.00 58.87 57.86 2h45 n SER 20 Cb 0.27 -4.64 0.15 0.00 -0.26 0.00 0.00 64.21 59.74 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 -2.84 3.19 0.11 4.04 1.04 0.44 -4.54 113.70 115.14 2h45 s SER 21 Ca 0.39 2.14 0.07 0.00 0.48 0.00 0.00 55.95 59.02 2h45 s SER 21 Cb -0.18 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 2h45 s SER 21 CO 0.48 -2.92 -0.17 -0.36 0.98 0.00 0.00 173.24 171.24 2h45 s PHE 22 N -2.68 1.58 -0.26 5.02 0.08 -0.61 -4.38 117.98 116.73 2h45 s PHE 22 Ca 0.66 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 57.25 2h45 s PHE 22 Cb -0.22 -0.85 0.07 0.00 -0.57 0.00 0.00 43.02 41.46 2h45 s PHE 22 CO 0.57 0.18 -0.00 0.08 -0.10 0.00 0.00 175.22 175.96 2h45 s VAL 23 N -1.56 1.43 0.04 -0.44 1.01 -1.26 0.22 120.40 119.84 2h45 s VAL 23 Ca 0.07 -1.37 0.07 0.00 0.00 0.00 0.00 61.98 60.74 2h45 s VAL 23 Cb -0.08 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2h45 s VAL 23 CO 0.04 -0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 173.99 2h45 s VAL 24 N 1.40 2.94 0.10 2.92 1.01 -0.81 -4.55 120.40 123.41 2h45 s VAL 24 Ca 0.00 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 60.88 2h45 s VAL 24 Cb -0.18 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2h45 s VAL 24 CO -0.10 0.32 -0.12 -0.94 0.00 0.00 0.00 175.10 174.26 2h45 s SER 25 N -1.51 1.66 0.00 3.32 1.04 -1.26 -1.57 113.70 115.39 2h45 s SER 25 Ca 0.15 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2h45 s SER 25 Cb -0.11 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2h45 s SER 25 CO 0.06 -0.18 0.00 -2.67 0.98 0.00 0.00 173.24 171.43 2h45 n TRP 26 N 0.73 -0.11 -4.95 5.02 2.14 -0.69 -5.00 117.44 114.58 2h45 n TRP 26 Ca -0.17 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.07 2h45 n TRP 26 Cb 0.57 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.91 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 -1.87 2.49 0.45 -1.67 1.01 -1.26 -4.81 120.40 114.74 2h45 s VAL 27 Ca 0.00 -0.86 0.22 0.00 0.00 0.00 0.00 61.98 61.34 2h45 s VAL 27 Cb 0.00 -2.00 0.42 0.00 0.00 0.00 0.00 36.38 34.80 2h45 s VAL 27 CO 0.00 0.54 1.83 0.28 0.00 0.00 0.00 175.10 177.75 2h45 h SER 28 N 6.80 0.30 -0.37 3.32 0.02 -1.93 -3.43 113.55 118.27 2h45 h SER 28 Ca -0.24 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 2h45 h SER 28 Cb 1.22 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2h45 h SER 28 CO 0.52 0.09 -0.05 0.00 -1.14 0.00 0.00 176.83 176.24 2h45 n ALA 29 N -2.56 -0.05 -3.63 3.77 0.00 -1.26 -4.79 120.51 111.99 2h45 n ALA 29 Ca 0.22 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.66 2h45 n ALA 29 Cb 0.85 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.33 -0.15 -0.01 0.00 0.01 -1.26 -5.02 113.70 105.94 2h45 s SER 30 Ca 0.00 0.19 0.17 0.00 1.31 0.00 0.00 55.95 57.62 2h45 s SER 30 Cb 0.00 0.15 -0.21 0.00 0.21 0.00 0.00 66.02 66.18 2h45 s SER 30 CO 0.00 -0.12 0.65 0.47 0.41 0.00 0.00 173.24 174.65 2h45 n ASP 31 N 0.79 0.84 0.00 2.44 8.00 -1.26 -4.17 116.55 123.18 2h45 n ASP 31 Ca -0.05 -0.69 0.16 0.00 0.71 0.00 0.00 54.79 54.92 2h45 n ASP 31 Cb 0.58 1.19 0.90 0.00 -0.02 0.00 0.00 41.12 43.77 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 -1.57 0.00 -2.40 -3.53 -2.24 -1.26 -4.80 114.28 98.48 2h45 n THR 32 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2h45 n THR 32 Cb 0.31 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.11 3.95 -0.74 2.28 0.11 -1.26 -1.65 120.40 120.98 2h45 s VAL 33 Ca 0.43 1.41 0.23 0.00 -2.93 0.00 0.00 61.98 61.13 2h45 s VAL 33 Cb 0.21 -3.91 -0.14 0.00 -1.53 0.00 0.00 36.38 31.02 2h45 s VAL 33 CO 0.38 0.12 1.02 -1.20 -3.33 0.00 0.00 175.10 172.09 2h45 n SER 34 N 3.81 0.66 0.00 3.54 7.64 1.60 -4.63 113.62 126.24 2h45 n SER 34 Ca 0.09 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2h45 n SER 34 Cb 0.46 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 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 1.42 -1.34 3.24 0.23 0.00 -1.08 -3.11 105.19 104.55 2h45 n GLY 35 Ca 0.03 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 2h45 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h45 s PHE 36 N -2.01 1.52 -0.10 1.61 0.08 0.18 0.19 117.98 119.44 2h45 s PHE 36 Ca 0.00 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.59 2h45 s PHE 36 Cb 0.00 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 2h45 s PHE 36 CO 0.00 0.16 -0.09 0.50 -0.10 0.00 0.00 175.22 175.69 2h45 s ARG 37 N -2.11 1.57 -0.13 0.44 3.52 0.11 -0.35 118.95 122.00 2h45 s ARG 37 Ca 0.05 -0.30 -0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2h45 s ARG 37 Cb -0.08 -1.53 -0.03 0.00 -1.56 0.00 0.00 34.95 31.74 2h45 s ARG 37 CO 0.04 -0.19 -0.02 0.08 -0.81 0.00 0.00 175.30 174.40 2h45 s VAL 38 N 1.41 4.06 -0.04 7.11 1.01 0.55 -0.54 120.40 133.96 2h45 s VAL 38 Ca -0.00 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2h45 s VAL 38 Cb -0.13 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2h45 s VAL 38 CO -0.05 0.53 -0.20 -0.70 0.00 0.00 0.00 175.10 174.69 2h45 s GLU 39 N -0.11 1.85 -0.04 2.72 2.12 -0.64 -0.58 118.70 124.02 2h45 s GLU 39 Ca 0.03 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.65 2h45 s GLU 39 Cb -0.13 -1.66 0.03 0.00 0.26 0.00 0.00 34.13 32.63 2h45 s GLU 39 CO 0.02 0.34 0.09 1.52 -0.54 0.00 0.00 175.26 176.69 2h45 s TYR 40 N -0.19 -0.07 0.13 5.30 1.13 -1.13 -1.79 117.35 120.73 2h45 s TYR 40 Ca 0.01 0.30 -0.04 0.00 -1.41 0.00 0.00 57.07 55.93 2h45 s TYR 40 Cb -0.10 -0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.58 2h45 s TYR 40 CO 0.01 -0.12 0.13 -1.83 -2.51 0.00 0.00 175.55 171.23 2h45 s GLU 41 N 1.06 0.96 -0.09 -3.49 -1.05 -1.11 -3.07 118.70 111.91 2h45 s GLU 41 Ca -0.08 -1.29 -0.30 0.00 -0.15 0.00 0.00 54.97 53.15 2h45 s GLU 41 Cb -0.11 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 2h45 s GLU 41 CO -0.04 -0.30 1.20 -0.51 0.95 0.00 0.00 175.26 176.56 2h45 s LEU 42 N -2.99 4.25 0.48 1.83 1.43 -1.26 -0.30 118.68 122.12 2h45 s LEU 42 Ca 0.18 1.76 0.23 0.00 -1.03 0.00 0.00 54.13 55.28 2h45 s LEU 42 Cb 0.06 -3.55 1.21 0.00 0.03 0.00 0.00 46.19 43.93 2h45 s LEU 42 CO -0.01 -0.62 1.99 0.77 0.23 0.00 0.00 176.35 178.70 2h45 h SER 43 N 7.62 0.00 0.00 2.29 4.64 -0.36 -3.34 113.55 124.40 2h45 h SER 43 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2h45 h SER 43 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2h45 h SER 43 CO 0.90 0.19 0.00 -0.62 -0.87 0.00 0.00 176.83 176.43 2h45 n GLU 44 N -3.74 0.00 -3.01 4.77 1.02 -1.26 -4.93 120.64 113.49 2h45 n GLU 44 Ca -0.02 0.20 -0.34 0.00 -0.02 0.00 0.00 57.16 56.98 2h45 n GLU 44 Cb 0.30 -0.63 -0.06 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.65 4.17 0.60 3.49 2.02 -1.25 -4.94 118.70 122.13 2h45 s GLU 45 Ca 0.00 0.90 0.34 0.00 0.02 0.00 0.00 54.97 56.22 2h45 s GLU 45 Cb 0.00 -2.47 1.90 0.00 0.10 0.00 0.00 34.13 33.66 2h45 s GLU 45 CO 0.00 0.15 2.24 0.78 0.02 0.00 0.00 175.26 178.46 2h45 h GLY 46 N 2.43 0.00 0.00 -1.39 0.00 -1.92 -3.34 103.07 98.85 2h45 h GLY 46 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2h45 h GLY 46 CO 0.64 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.52 2h45 n ASP 47 N -3.57 0.00 -4.20 0.19 2.03 -1.26 -4.55 116.55 105.19 2h45 n ASP 47 Ca -0.03 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.96 2h45 n ASP 47 Cb 0.12 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.36 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2h45 s GLU 48 N 0.00 3.08 0.24 -0.67 -1.05 -1.26 -4.94 118.70 114.09 2h45 s GLU 48 Ca 0.00 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.69 2h45 s GLU 48 Cb 0.00 -2.46 -0.09 0.00 -0.44 0.00 0.00 34.13 31.14 2h45 s GLU 48 CO 0.00 0.03 1.22 -1.25 0.95 0.00 0.00 175.26 176.21 2h45 s PRO 49 N 0.73 4.48 0.14 -4.83 0.04 -1.26 -4.78 135.00 129.51 2h45 s PRO 49 Ca -0.09 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.03 2h45 s PRO 49 Cb -0.16 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2h45 s PRO 49 CO 0.00 -0.07 -0.26 -0.65 0.04 0.00 0.00 177.00 176.07 2h45 s GLN 50 N -0.85 1.39 -0.04 4.56 -0.21 -1.17 -4.99 119.66 118.35 2h45 s GLN 50 Ca 0.51 -1.37 0.05 0.00 0.02 0.00 0.00 55.36 54.57 2h45 s GLN 50 Cb -0.35 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 31.83 2h45 s GLN 50 CO 0.42 0.42 -0.19 0.71 -2.12 0.00 0.00 175.29 174.53 2h45 s TYR 51 N -1.21 1.84 -0.09 0.91 2.02 -1.26 -2.86 117.35 116.71 2h45 s TYR 51 Ca 0.15 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 2h45 s TYR 51 Cb -0.09 -1.23 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 2h45 s TYR 51 CO 0.07 -0.15 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.17 2h45 s LEU 52 N -0.08 1.98 -0.15 -1.29 1.43 0.25 -4.93 118.68 115.89 2h45 s LEU 52 Ca -0.02 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2h45 s LEU 52 Cb -0.11 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2h45 s LEU 52 CO 0.02 0.13 0.05 -1.81 0.23 0.00 0.00 176.35 174.97 2h45 s ASP 53 N 0.40 5.59 0.13 2.29 1.01 -1.26 -0.33 116.67 124.50 2h45 s ASP 53 Ca -0.17 0.13 0.06 0.00 0.71 0.00 0.00 52.55 53.28 2h45 s ASP 53 Cb -0.17 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 2h45 s ASP 53 CO 0.08 0.25 -0.14 -0.76 0.21 0.00 0.00 175.17 174.81 2h45 s LEU 54 N -0.10 2.43 0.57 1.23 1.43 0.52 -4.95 118.68 119.82 2h45 s LEU 54 Ca 0.06 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.13 2h45 s LEU 54 Cb -0.12 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2h45 s LEU 54 CO 0.01 -0.17 1.13 -2.16 0.23 0.00 0.00 176.35 175.39 2h45 s PRO 55 N -2.89 3.20 0.20 1.29 0.04 -1.26 0.48 135.00 136.06 2h45 s PRO 55 Ca 0.11 1.57 0.08 0.00 0.04 0.00 0.00 61.00 62.80 2h45 s PRO 55 Cb -0.04 -1.99 0.45 0.00 0.04 0.00 0.00 34.50 32.97 2h45 s PRO 55 CO 0.03 -0.97 1.12 -1.13 0.04 0.00 0.00 177.00 176.09 2h45 n SER 56 N -1.59 0.22 -0.18 6.66 3.41 -1.18 0.22 113.62 121.17 2h45 n SER 56 Ca 0.11 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2h45 n SER 56 Cb 0.51 -0.43 0.21 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.77 0.00 -2.76 6.66 -2.24 -1.26 -4.87 114.28 108.04 2h45 n THR 57 Ca -0.01 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 2h45 n THR 57 Cb 0.27 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 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 -2.71 3.29 0.00 6.98 0.00 0.61 -4.93 121.76 125.01 2h45 s ALA 58 Ca 0.17 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2h45 s ALA 58 Cb 0.18 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2h45 s ALA 58 CO 0.63 0.08 0.70 0.25 0.00 0.00 0.00 175.76 177.42 2h45 n THR 59 N 2.27 0.46 -3.55 0.00 -2.24 -1.26 -4.85 114.28 105.11 2h45 n THR 59 Ca 0.00 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 2h45 n THR 59 Cb 0.48 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.46 -0.51 0.02 3.42 1.04 -1.26 -1.71 113.70 114.24 2h45 s SER 60 Ca 0.00 0.56 -0.17 0.00 0.48 0.00 0.00 55.95 56.82 2h45 s SER 60 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2h45 s SER 60 CO 0.00 -0.47 0.38 0.54 0.98 0.00 0.00 173.24 174.67 2h45 s VAL 61 N -1.12 0.06 -0.18 5.02 0.11 -0.61 -5.01 120.40 118.66 2h45 s VAL 61 Ca -0.06 -0.48 -0.06 0.00 -2.93 0.00 0.00 61.98 58.44 2h45 s VAL 61 Cb -0.00 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 2h45 s VAL 61 CO 0.06 -0.27 0.04 0.21 -3.33 0.00 0.00 175.10 171.81 2h45 s ASN 62 N -1.76 5.33 -0.48 3.54 2.47 -1.26 -1.93 114.94 120.85 2h45 s ASN 62 Ca -0.08 -0.02 -0.14 0.00 0.42 0.00 0.00 52.86 53.05 2h45 s ASN 62 Cb -0.02 -1.91 0.09 0.00 -1.45 0.00 0.00 41.25 37.96 2h45 s ASN 62 CO 0.00 0.14 0.39 -0.63 -3.72 0.00 0.00 177.10 173.28 2h45 s ILE 63 N 0.55 4.91 0.42 -5.21 1.01 0.13 -4.92 121.20 118.08 2h45 s ILE 63 Ca 0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 60.65 59.33 2h45 s ILE 63 Cb -0.13 -4.03 0.09 0.00 0.01 0.00 0.00 42.46 38.40 2h45 s ILE 63 CO 0.02 -0.65 0.57 -0.81 0.00 0.00 0.00 174.94 174.06 2h45 n PRO 64 N 5.12 0.04 -3.23 2.79 -0.04 -1.26 -1.57 135.00 136.85 2h45 n PRO 64 Ca -0.12 -1.39 -0.23 0.00 -0.04 0.00 0.00 63.50 61.72 2h45 n PRO 64 Cb 0.42 -0.43 0.04 0.00 -0.04 0.00 0.00 33.50 33.50 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 -3.05 -5.99 -4.86 3.54 8.00 -1.26 -4.95 116.55 107.97 2h45 n ASP 65 Ca 0.09 -0.38 -0.32 0.00 0.71 0.00 0.00 54.79 54.88 2h45 n ASP 65 Cb 0.31 -4.81 -0.06 0.00 -0.02 0.00 0.00 41.12 36.55 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 -6.87 4.15 -0.40 0.64 1.43 -0.49 -5.05 118.68 112.09 2h45 s LEU 66 Ca 0.40 1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 54.35 2h45 s LEU 66 Cb -0.18 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.27 2h45 s LEU 66 CO 0.50 -0.10 0.59 -0.76 0.23 0.00 0.00 176.35 176.80 2h45 s LEU 67 N -2.81 4.46 0.25 1.79 1.43 -1.26 -4.28 118.68 118.26 2h45 s LEU 67 Ca 0.49 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 2h45 s LEU 67 Cb -0.11 -2.66 -0.12 0.00 0.03 0.00 0.00 46.19 43.33 2h45 s LEU 67 CO 0.20 -0.65 1.64 -2.65 0.23 0.00 0.00 176.35 175.12 2h45 n PRO 68 N 6.02 2.68 -0.68 1.29 -0.02 -1.26 -1.56 135.00 141.47 2h45 n PRO 68 Ca -0.03 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2h45 n PRO 68 Cb 0.48 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.93 0.66 3.28 -1.23 0.00 -1.21 -5.03 105.19 104.59 2h45 n GLY 69 Ca 0.12 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.40 1.41 -0.14 1.61 1.81 -0.60 -4.98 118.95 117.66 2h45 s ARG 70 Ca 0.00 -1.02 -0.12 0.00 -1.72 0.00 0.00 55.73 52.87 2h45 s ARG 70 Cb 0.00 -1.58 -0.05 0.00 -0.45 0.00 0.00 34.95 32.88 2h45 s ARG 70 CO 0.00 0.40 0.25 0.21 -0.68 0.00 0.00 175.30 175.48 2h45 s LYS 71 N -1.35 4.05 0.21 3.54 2.20 -1.26 -2.51 119.74 124.62 2h45 s LYS 71 Ca 0.08 0.04 0.10 0.00 -0.36 0.00 0.00 55.97 55.82 2h45 s LYS 71 Cb -0.09 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2h45 s LYS 71 CO 0.02 0.41 -0.10 0.71 -0.36 0.00 0.00 175.35 176.03 2h45 s TYR 72 N -0.02 2.58 -0.20 4.03 1.51 0.22 0.39 117.35 125.85 2h45 s TYR 72 Ca 0.16 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.94 2h45 s TYR 72 Cb -0.13 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2h45 s TYR 72 CO 0.04 0.56 -0.08 0.42 -1.11 0.00 0.00 175.55 175.37 2h45 s ILE 73 N -1.92 3.13 -0.16 2.71 1.01 0.59 -1.12 121.20 125.44 2h45 s ILE 73 Ca 0.26 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 2h45 s ILE 73 Cb -0.08 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2h45 s ILE 73 CO 0.16 0.46 -0.06 -0.69 0.00 0.00 0.00 174.94 174.81 2h45 s VAL 74 N 1.21 3.59 -0.06 2.92 1.01 0.15 -2.76 120.40 126.46 2h45 s VAL 74 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2h45 s VAL 74 Cb -0.14 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.69 2h45 s VAL 74 CO -0.03 0.49 -0.04 0.20 0.00 0.00 0.00 175.10 175.71 2h45 s ASN 75 N 0.57 1.21 -0.18 3.32 0.01 -0.74 -0.70 114.94 118.43 2h45 s ASN 75 Ca -0.04 -0.14 -0.05 0.00 -0.71 0.00 0.00 52.86 51.91 2h45 s ASN 75 Cb -0.15 -0.50 -0.03 0.00 0.41 0.00 0.00 41.25 40.98 2h45 s ASN 75 CO 0.03 -0.08 0.01 -0.69 -1.51 0.00 0.00 177.10 174.86 2h45 s VAL 76 N 1.15 4.23 -0.04 1.60 1.01 0.15 -1.62 120.40 126.87 2h45 s VAL 76 Ca -0.07 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2h45 s VAL 76 Cb -0.14 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2h45 s VAL 76 CO -0.01 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.03 2h45 s TYR 77 N 0.57 2.52 -0.16 5.22 2.02 0.30 -1.74 117.35 126.07 2h45 s TYR 77 Ca -0.00 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 2h45 s TYR 77 Cb -0.14 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2h45 s TYR 77 CO 0.02 0.03 0.12 1.14 -1.57 0.00 0.00 175.55 175.29 2h45 s GLN 78 N -0.57 3.76 -0.26 -0.62 -2.07 -0.43 0.06 119.66 119.53 2h45 s GLN 78 Ca 0.08 -0.20 -0.11 0.00 -1.82 0.00 0.00 55.36 53.30 2h45 s GLN 78 Cb -0.11 -3.26 -0.05 0.00 -1.09 0.00 0.00 33.01 28.50 2h45 s GLN 78 CO 0.00 0.54 0.21 0.42 -1.32 0.00 0.00 175.29 175.14 2h45 s ILE 79 N -0.34 5.31 0.69 3.63 1.01 0.13 -2.09 121.20 129.54 2h45 s ILE 79 Ca 0.11 0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 2h45 s ILE 79 Cb -0.12 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.86 2h45 s ILE 79 CO 0.01 0.27 1.00 -0.94 0.00 0.00 0.00 174.94 175.29 2h45 s SER 80 N 1.48 4.95 0.66 3.58 1.04 -0.00 0.45 113.70 125.86 2h45 s SER 80 Ca 0.09 0.53 0.37 0.00 0.48 0.00 0.00 55.95 57.42 2h45 s SER 80 Cb -0.15 -1.23 2.05 0.00 0.10 0.00 0.00 66.02 66.79 2h45 s SER 80 CO 0.09 -1.51 2.18 -0.33 0.98 0.00 0.00 173.24 174.64 2h45 h GLU 81 N -0.55 0.00 -0.15 4.02 5.08 -1.65 0.28 114.58 121.61 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 0.61 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 2h45 n ASP 82 N -3.12 2.19 0.00 1.42 5.68 -1.26 -4.91 116.55 116.54 2h45 n ASP 82 Ca -0.02 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 2h45 n ASP 82 Cb 0.21 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 1.25 0.57 3.81 6.12 0.00 0.97 -5.04 105.19 112.87 2h45 n GLY 83 Ca 0.17 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.75 4.29 -0.07 1.61 0.41 -1.25 -4.78 118.70 118.16 2h45 s GLU 84 Ca 0.00 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 2h45 s GLU 84 Cb 0.00 -2.88 -0.03 0.00 -1.78 0.00 0.00 34.13 29.44 2h45 s GLU 84 CO 0.00 0.39 -0.05 -0.65 -0.49 0.00 0.00 175.26 174.46 2h45 s GLN 85 N -1.95 2.81 -0.03 1.61 -0.21 -1.26 -0.82 119.66 119.80 2h45 s GLN 85 Ca 0.43 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.31 2h45 s GLN 85 Cb -0.17 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.21 2h45 s GLN 85 CO 0.21 0.67 -0.03 0.45 -2.12 0.00 0.00 175.29 174.47 2h45 s SER 86 N -0.84 0.70 -0.21 5.90 0.15 -0.89 -4.91 113.70 113.61 2h45 s SER 86 Ca 0.13 -0.09 -0.29 0.00 0.70 0.00 0.00 55.95 56.39 2h45 s SER 86 Cb -0.11 -0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 2h45 s SER 86 CO 0.02 -0.04 1.41 -0.22 1.20 0.00 0.00 173.24 175.61 2h45 s LEU 87 N 0.67 4.02 -0.05 3.45 2.96 -1.26 -1.32 118.68 127.16 2h45 s LEU 87 Ca -0.08 1.57 0.13 0.00 -0.22 0.00 0.00 54.13 55.53 2h45 s LEU 87 Cb -0.11 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.84 2h45 s LEU 87 CO -0.00 -1.01 0.23 2.30 -1.32 0.00 0.00 176.35 176.55 2h45 n ILE 88 N 5.92 0.25 -3.66 6.68 -5.35 -0.71 -4.99 119.36 117.50 2h45 n ILE 88 Ca 0.16 -0.38 -0.06 0.00 -0.27 0.00 0.00 62.75 62.20 2h45 n ILE 88 Cb 0.45 -0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.22 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 -4.23 -0.77 -0.11 7.28 2.96 -1.22 -4.94 118.68 117.65 2h45 s LEU 89 Ca -0.05 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 2h45 s LEU 89 Cb 0.07 1.95 0.02 0.00 0.50 0.00 0.00 46.19 48.73 2h45 s LEU 89 CO 0.56 -0.22 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.70 2h45 s SER 90 N 2.13 2.20 0.08 3.68 0.15 -1.26 -0.68 113.70 120.01 2h45 s SER 90 Ca -0.07 -0.35 -0.19 0.00 0.70 0.00 0.00 55.95 56.03 2h45 s SER 90 Cb -0.09 -0.94 0.04 0.00 -1.71 0.00 0.00 66.02 63.33 2h45 s SER 90 CO -0.17 -0.04 0.46 0.28 1.20 0.00 0.00 173.24 174.97 2h45 s THR 91 N 1.26 0.05 0.21 6.45 -1.32 0.13 -5.02 115.64 117.39 2h45 s THR 91 Ca -0.02 -0.38 0.10 0.00 -1.21 0.00 0.00 61.69 60.18 2h45 s THR 91 Cb -0.14 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.78 2h45 s THR 91 CO -0.04 -0.21 -0.15 -0.94 -2.21 0.00 0.00 174.62 171.07 2h45 s SER 92 N -2.29 3.92 0.05 8.08 1.04 -1.26 0.30 113.70 123.54 2h45 s SER 92 Ca -0.02 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 2h45 s SER 92 Cb 0.00 -0.52 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 2h45 s SER 92 CO -0.06 0.08 -0.02 -1.10 0.98 0.00 0.00 173.24 173.13 2h45 s GLN 93 N -3.02 0.63 -0.21 4.02 -0.21 -0.27 -4.95 119.66 115.65 2h45 s GLN 93 Ca 0.25 -1.21 0.01 0.00 0.02 0.00 0.00 55.36 54.43 2h45 s GLN 93 Cb -0.07 0.22 0.05 0.00 1.00 0.00 0.00 33.01 34.20 2h45 s GLN 93 CO 0.14 -0.12 -0.08 0.99 -2.12 0.00 0.00 175.29 174.09 2h45 s THR 94 N -3.92 1.62 -2.00 -0.19 2.01 -1.26 -0.61 115.64 111.28 2h45 s THR 94 Ca 0.07 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2h45 s THR 94 Cb 0.08 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.83 2h45 s THR 94 CO -0.10 0.06 0.52 0.35 -0.69 0.00 0.00 174.62 174.76