#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 1.47 -2.89 1.61 -0.02 -1.26 -4.96 135.00 128.95 2h45 n PRO 2 Ca 0.00 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 2h45 n PRO 2 Cb 0.00 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.08 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h45 s LEU 3 N -2.24 4.56 0.00 2.45 1.43 -1.26 -4.99 118.68 118.62 2h45 s LEU 3 Ca 0.69 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 2h45 s LEU 3 Cb -0.46 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2h45 s LEU 3 CO 0.52 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.81 2h45 n GLY 4 N 1.87 -1.69 1.75 -3.19 0.00 -1.26 -5.08 105.19 97.59 2h45 n GLY 4 Ca -0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 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 1.27 -2.38 -3.64 1.61 2.88 -1.26 -4.95 113.62 107.15 2h45 n SER 5 Ca 0.00 0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.49 2h45 n SER 5 Cb 0.00 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 62.77 2h45 n SER 5 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2h45 s HIS 6 N -0.47 -0.90 0.02 0.66 -0.00 -1.26 -5.15 115.29 108.19 2h45 s HIS 6 Ca 0.07 1.96 -0.25 0.00 -0.00 0.00 0.00 55.06 56.84 2h45 s HIS 6 Cb -0.01 0.45 -0.05 0.00 -0.00 0.00 0.00 32.58 32.97 2h45 s HIS 6 CO 0.15 -0.45 0.76 -0.51 -0.00 0.00 0.00 174.74 174.70 2h45 s LEU 7 N 1.07 4.42 -0.19 5.38 1.43 -1.26 -5.05 118.68 124.48 2h45 s LEU 7 Ca -0.06 1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2h45 s LEU 7 Cb -0.05 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 2h45 s LEU 7 CO -0.10 -0.02 -0.05 -0.69 0.23 0.00 0.00 176.35 175.72 2h45 s VAL 8 N 0.14 3.48 0.00 -1.59 1.01 -1.26 -4.98 120.40 117.20 2h45 s VAL 8 Ca 0.39 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2h45 s VAL 8 Cb -0.20 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2h45 s VAL 8 CO 0.22 0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.77 2h45 n ALA 9 N 4.32 1.40 -2.76 5.51 0.00 -1.26 -5.11 120.51 122.61 2h45 n ALA 9 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 2h45 n ALA 9 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 4.63 -0.13 0.00 2.01 -1.26 -5.00 115.64 115.89 2h45 s THR 10 Ca 0.00 -0.12 0.10 0.00 0.31 0.00 0.00 61.69 61.98 2h45 s THR 10 Cb 0.00 -2.99 -0.15 0.00 0.01 0.00 0.00 72.50 69.37 2h45 s THR 10 CO 0.00 0.58 0.02 -0.24 -0.69 0.00 0.00 174.62 174.30 2h45 n SER 11 N 2.38 1.99 -0.56 3.53 2.88 -1.26 -4.45 113.62 118.13 2h45 n SER 11 Ca -0.19 -0.01 0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2h45 n SER 11 Cb 0.54 0.70 0.32 0.00 -0.75 0.00 0.00 64.21 65.02 2h45 n SER 11 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2h45 n GLU 12 N -2.52 1.72 0.00 -1.46 2.13 -1.26 -4.94 120.64 114.31 2h45 n GLU 12 Ca -0.21 -1.09 0.00 0.00 0.66 0.00 0.00 57.16 56.51 2h45 n GLU 12 Cb 0.90 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 31.25 2h45 n GLU 12 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2h45 n SER 13 N 0.33 0.00 -4.75 4.31 7.64 -1.26 -4.48 113.62 115.41 2h45 n SER 13 Ca 0.15 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.67 2h45 n SER 13 Cb 0.31 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.43 2h45 n SER 13 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2h45 s VAL 14 N 0.00 5.19 0.00 0.44 -7.23 -1.26 -5.01 120.40 112.53 2h45 s VAL 14 Ca 0.00 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 2h45 s VAL 14 Cb 0.00 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2h45 s VAL 14 CO 0.00 0.51 0.00 0.41 -0.31 0.00 0.00 175.10 175.71 2h45 n THR 15 N 2.94 0.00 -1.60 5.32 -1.04 -1.26 -4.89 114.28 113.75 2h45 n THR 15 Ca -0.18 0.14 -0.49 0.00 -2.04 0.00 0.00 64.05 61.48 2h45 n THR 15 Cb 0.53 -0.71 -0.05 0.00 -1.82 0.00 0.00 70.33 68.28 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 -1.27 1.35 0.00 -2.82 4.71 -1.26 -4.83 120.64 116.52 2h45 n GLU 16 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 2h45 n GLU 16 Cb 0.00 -2.08 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 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 2.12 0.00 -1.04 -3.67 5.41 -1.26 -4.30 119.36 116.62 2h45 n ILE 17 Ca 0.16 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.56 2h45 n ILE 17 Cb 0.24 0.07 -0.02 0.00 -0.71 0.00 0.00 39.64 39.21 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 -0.79 1.36 -4.18 1.39 -2.24 -1.26 0.26 114.28 108.82 2h45 n THR 18 Ca 0.00 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 2h45 n THR 18 Cb 0.05 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.10 -1.13 -3.68 6.98 0.00 -1.26 0.22 120.51 121.54 2h45 n ALA 19 Ca 0.13 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 2h45 n ALA 19 Cb 0.20 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 17.53 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 -2.20 -4.18 -4.73 0.00 3.41 0.72 -0.94 113.62 105.70 2h45 n SER 20 Ca 0.10 -0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 57.62 2h45 n SER 20 Cb 0.43 -4.54 -0.03 0.00 -0.26 0.00 0.00 64.21 59.82 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 -3.70 6.45 0.09 4.04 1.04 0.60 -4.45 113.70 117.77 2h45 s SER 21 Ca 0.40 2.81 -0.08 0.00 0.48 0.00 0.00 55.95 59.56 2h45 s SER 21 Cb -0.19 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.27 2h45 s SER 21 CO 0.77 -0.90 0.37 -0.36 0.98 0.00 0.00 173.24 174.11 2h45 s PHE 22 N 0.80 3.55 -0.27 5.02 0.40 -0.17 -4.02 117.98 123.29 2h45 s PHE 22 Ca 0.70 0.69 -0.01 0.00 -0.60 0.00 0.00 56.93 57.71 2h45 s PHE 22 Cb -0.47 -2.09 0.08 0.00 0.51 0.00 0.00 43.02 41.05 2h45 s PHE 22 CO 0.36 0.51 0.06 0.08 0.70 0.00 0.00 175.22 176.93 2h45 s VAL 23 N -1.46 0.91 -0.05 -0.44 1.01 -1.26 0.45 120.40 119.55 2h45 s VAL 23 Ca 0.35 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2h45 s VAL 23 Cb -0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2h45 s VAL 23 CO 0.20 -0.47 -0.18 -0.69 0.00 0.00 0.00 175.10 173.95 2h45 s VAL 24 N 1.63 2.73 0.14 2.92 1.01 -1.02 -4.67 120.40 123.14 2h45 s VAL 24 Ca 0.05 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.28 2h45 s VAL 24 Cb -0.17 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2h45 s VAL 24 CO -0.18 0.58 -0.20 -0.94 0.00 0.00 0.00 175.10 174.36 2h45 s SER 25 N -0.50 2.66 0.00 3.32 1.04 -1.26 -1.96 113.70 117.01 2h45 s SER 25 Ca 0.06 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2h45 s SER 25 Cb -0.12 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2h45 s SER 25 CO 0.01 0.02 0.00 -2.67 0.98 0.00 0.00 173.24 171.58 2h45 n TRP 26 N 0.68 -0.17 -4.41 5.02 2.14 0.25 -4.99 117.44 115.96 2h45 n TRP 26 Ca -0.16 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.18 2h45 n TRP 26 Cb 0.55 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.89 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 -2.00 0.91 0.78 -1.67 1.01 -1.26 -4.77 120.40 113.40 2h45 s VAL 27 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 2h45 s VAL 27 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2h45 s VAL 27 CO 0.00 0.31 0.37 -1.54 0.00 0.00 0.00 175.10 174.23 2h45 n SER 28 N 3.93 -1.89 -2.75 3.32 3.41 -1.26 -4.95 113.62 113.43 2h45 n SER 28 Ca -0.23 0.51 -0.04 0.00 -0.26 0.00 0.00 58.87 58.84 2h45 n SER 28 Cb 0.51 -1.16 0.05 0.00 -0.26 0.00 0.00 64.21 63.35 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 -2.61 2.87 0.00 7.33 0.00 -1.26 -4.87 120.51 121.97 2h45 n ALA 29 Ca 0.08 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.82 2h45 n ALA 29 Cb 0.51 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2h45 n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2h45 n SER 30 N -0.44 0.00 0.00 0.00 2.88 -1.26 -4.99 113.62 109.80 2h45 n SER 30 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2h45 n SER 30 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 2h45 n SER 30 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2h45 n ASP 31 N -0.28 0.00 -0.36 -3.46 -0.08 -1.26 -4.30 116.55 106.81 2h45 n ASP 31 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 2h45 n ASP 31 Cb 0.00 0.00 0.53 0.00 2.34 0.00 0.00 41.12 43.99 2h45 n ASP 31 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2h45 n THR 32 N 0.00 0.08 -1.68 5.18 -2.24 -1.26 -4.91 114.28 109.45 2h45 n THR 32 Ca 0.00 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 2h45 n THR 32 Cb 0.00 0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 2h45 n THR 32 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2h45 n VAL 33 N -0.09 2.42 0.17 2.28 3.14 -1.26 -3.70 118.33 121.29 2h45 n VAL 33 Ca 0.18 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 61.17 2h45 n VAL 33 Cb 0.26 -1.47 -0.06 0.00 -1.06 0.00 0.00 33.84 31.51 2h45 n VAL 33 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2h45 n SER 34 N 0.40 0.49 0.00 6.55 7.64 0.85 -4.57 113.62 124.98 2h45 n SER 34 Ca 0.07 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2h45 n SER 34 Cb 0.39 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.69 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 1.25 -0.79 3.33 0.23 0.00 -1.15 -3.25 105.19 104.80 2h45 n GLY 35 Ca -0.01 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 1.99 -0.11 1.61 0.08 0.44 0.18 117.98 120.18 2h45 s PHE 36 Ca 0.00 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.64 2h45 s PHE 36 Cb 0.00 -1.08 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2h45 s PHE 36 CO 0.00 0.27 -0.08 0.50 -0.10 0.00 0.00 175.22 175.80 2h45 s ARG 37 N -2.01 1.58 -0.16 0.44 3.52 0.15 0.11 118.95 122.58 2h45 s ARG 37 Ca 0.10 -0.28 -0.05 0.00 -0.13 0.00 0.00 55.73 55.36 2h45 s ARG 37 Cb -0.10 -1.60 -0.03 0.00 -1.56 0.00 0.00 34.95 31.66 2h45 s ARG 37 CO 0.05 -0.24 0.01 0.08 -0.81 0.00 0.00 175.30 174.39 2h45 s VAL 38 N 1.60 4.32 -0.07 7.11 1.01 0.39 -0.73 120.40 134.03 2h45 s VAL 38 Ca 0.03 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2h45 s VAL 38 Cb -0.13 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 2h45 s VAL 38 CO -0.07 0.49 -0.23 -0.70 0.00 0.00 0.00 175.10 174.59 2h45 s GLU 39 N 0.20 2.64 -0.02 2.72 2.12 -0.78 -0.87 118.70 124.72 2h45 s GLU 39 Ca 0.01 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 2h45 s GLU 39 Cb -0.13 -2.12 0.01 0.00 0.26 0.00 0.00 34.13 32.15 2h45 s GLU 39 CO 0.02 0.27 0.04 1.52 -0.54 0.00 0.00 175.26 176.56 2h45 s TYR 40 N 0.11 -0.02 0.15 5.30 -0.85 -0.93 -2.03 117.35 119.08 2h45 s TYR 40 Ca -0.11 0.12 -0.07 0.00 -0.52 0.00 0.00 57.07 56.49 2h45 s TYR 40 Cb -0.15 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.10 2h45 s TYR 40 CO 0.06 -0.05 0.23 -1.83 -1.52 0.00 0.00 175.55 172.44 2h45 s GLU 41 N 0.40 1.08 -0.02 -3.49 -1.05 -1.14 -2.27 118.70 112.20 2h45 s GLU 41 Ca -0.03 -1.20 -0.30 0.00 -0.15 0.00 0.00 54.97 53.28 2h45 s GLU 41 Cb -0.05 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 2h45 s GLU 41 CO -0.01 -0.37 1.33 -0.51 0.95 0.00 0.00 175.26 176.64 2h45 s LEU 42 N -2.97 4.30 0.40 1.83 1.43 -1.26 -0.48 118.68 121.94 2h45 s LEU 42 Ca 0.17 2.00 0.09 0.00 -1.03 0.00 0.00 54.13 55.36 2h45 s LEU 42 Cb 0.04 -3.56 0.84 0.00 0.03 0.00 0.00 46.19 43.55 2h45 s LEU 42 CO -0.01 -0.67 1.99 0.77 0.23 0.00 0.00 176.35 178.66 2h45 h SER 43 N 7.71 0.33 0.00 2.29 4.64 -0.83 -3.33 113.55 124.36 2h45 h SER 43 Ca -0.36 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2h45 h SER 43 Cb 1.17 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2h45 h SER 43 CO 0.90 0.35 0.00 -0.62 -0.87 0.00 0.00 176.83 176.58 2h45 n GLU 44 N -4.39 0.00 -1.96 4.77 -0.58 -1.26 -4.91 120.64 112.32 2h45 n GLU 44 Ca 0.01 0.16 -0.39 0.00 -0.42 0.00 0.00 57.16 56.51 2h45 n GLU 44 Cb 0.16 -0.56 0.01 0.00 -0.57 0.00 0.00 31.44 30.48 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 -0.49 3.74 -0.29 3.49 2.02 -1.25 -4.90 118.70 121.02 2h45 s GLU 45 Ca 0.00 2.21 0.03 0.00 0.02 0.00 0.00 54.97 57.23 2h45 s GLU 45 Cb 0.00 -2.62 0.44 0.00 0.10 0.00 0.00 34.13 32.05 2h45 s GLU 45 CO 0.00 -0.70 1.59 0.41 0.02 0.00 0.00 175.26 176.58 2h45 n GLY 46 N 0.63 3.59 3.15 -1.39 0.00 -1.26 -3.98 105.19 105.93 2h45 n GLY 46 Ca 0.05 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.54 -2.64 -4.76 1.61 2.03 -1.26 -4.85 116.55 106.13 2h45 n ASP 47 Ca 0.39 -0.08 -0.41 0.00 0.52 0.00 0.00 54.79 55.20 2h45 n ASP 47 Cb 1.26 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.87 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 -2.83 4.49 0.62 -0.67 -1.05 -1.26 -4.77 118.70 113.23 2h45 s GLU 48 Ca 0.47 2.01 -0.16 0.00 -0.15 0.00 0.00 54.97 57.13 2h45 s GLU 48 Cb -0.02 -3.14 -0.02 0.00 -0.44 0.00 0.00 34.13 30.51 2h45 s GLU 48 CO 0.65 -0.01 1.12 -1.25 0.95 0.00 0.00 175.26 176.72 2h45 s PRO 49 N -1.45 2.98 0.06 -4.83 0.04 -1.26 -4.89 135.00 125.65 2h45 s PRO 49 Ca 0.48 1.47 0.10 0.00 0.04 0.00 0.00 61.00 63.08 2h45 s PRO 49 Cb -0.36 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 2h45 s PRO 49 CO 0.46 -1.12 -0.26 -0.65 0.04 0.00 0.00 177.00 175.47 2h45 s GLN 50 N -3.82 1.73 -0.02 4.56 -0.21 -0.96 -4.98 119.66 115.96 2h45 s GLN 50 Ca 0.69 -1.15 0.05 0.00 0.02 0.00 0.00 55.36 54.97 2h45 s GLN 50 Cb -0.22 -1.97 -0.01 0.00 1.00 0.00 0.00 33.01 31.81 2h45 s GLN 50 CO 0.37 0.50 -0.18 0.71 -2.12 0.00 0.00 175.29 174.57 2h45 s TYR 51 N -0.86 1.63 -0.05 0.91 2.02 -1.26 -2.19 117.35 117.55 2h45 s TYR 51 Ca 0.12 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2h45 s TYR 51 Cb -0.10 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 2h45 s TYR 51 CO 0.03 -0.06 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.29 2h45 s LEU 52 N -0.32 1.82 -0.13 -1.29 1.43 -0.05 -4.95 118.68 115.20 2h45 s LEU 52 Ca 0.04 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2h45 s LEU 52 Cb -0.08 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2h45 s LEU 52 CO -0.00 0.10 0.01 -1.81 0.23 0.00 0.00 176.35 174.88 2h45 s ASP 53 N 0.30 5.22 0.11 2.29 1.01 -1.26 -0.46 116.67 123.88 2h45 s ASP 53 Ca -0.09 0.05 0.04 0.00 0.71 0.00 0.00 52.55 53.26 2h45 s ASP 53 Cb -0.13 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 2h45 s ASP 53 CO 0.03 0.26 -0.11 -0.76 0.21 0.00 0.00 175.17 174.80 2h45 s LEU 54 N -0.18 2.43 0.77 1.23 1.43 0.12 -4.95 118.68 119.53 2h45 s LEU 54 Ca 0.05 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2h45 s LEU 54 Cb -0.12 -0.37 0.06 0.00 0.03 0.00 0.00 46.19 45.78 2h45 s LEU 54 CO 0.02 -0.25 1.12 -2.16 0.23 0.00 0.00 176.35 175.31 2h45 s PRO 55 N -2.96 2.15 0.20 1.29 0.04 -1.26 0.17 135.00 134.62 2h45 s PRO 55 Ca 0.09 1.36 0.13 0.00 0.04 0.00 0.00 61.00 62.61 2h45 s PRO 55 Cb -0.02 -1.87 0.69 0.00 0.04 0.00 0.00 34.50 33.34 2h45 s PRO 55 CO 0.01 -1.75 1.37 -1.13 0.04 0.00 0.00 177.00 175.54 2h45 n SER 56 N -3.29 0.33 -0.19 6.66 3.41 -1.20 0.02 113.62 119.35 2h45 n SER 56 Ca 0.10 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2h45 n SER 56 Cb 0.52 -0.67 0.22 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 -1.95 0.00 -2.90 6.66 -2.24 -1.26 -4.89 114.28 107.71 2h45 n THR 57 Ca -0.01 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 2h45 n THR 57 Cb 0.06 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.70 3.33 -0.03 6.98 0.00 0.10 -4.93 121.76 124.51 2h45 s ALA 58 Ca 0.18 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2h45 s ALA 58 Cb 0.18 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 20.27 2h45 s ALA 58 CO 0.62 0.03 0.90 0.25 0.00 0.00 0.00 175.76 177.56 2h45 n THR 59 N 2.80 0.60 -3.60 0.00 -2.24 -1.26 -4.90 114.28 105.69 2h45 n THR 59 Ca -0.01 -0.68 -0.13 0.00 -2.27 0.00 0.00 64.05 60.96 2h45 n THR 59 Cb 0.50 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.14 -0.60 -0.03 3.42 1.04 -1.26 -0.58 113.70 114.55 2h45 s SER 60 Ca 0.07 0.97 -0.14 0.00 0.48 0.00 0.00 55.95 57.33 2h45 s SER 60 Cb 0.06 0.92 0.02 0.00 0.10 0.00 0.00 66.02 67.12 2h45 s SER 60 CO 0.01 -0.33 0.31 0.54 0.98 0.00 0.00 173.24 174.74 2h45 s VAL 61 N -0.28 0.05 -0.19 5.02 0.11 -0.83 -5.01 120.40 119.27 2h45 s VAL 61 Ca -0.02 -0.40 -0.06 0.00 -2.93 0.00 0.00 61.98 58.56 2h45 s VAL 61 Cb -0.03 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 2h45 s VAL 61 CO 0.02 -0.22 0.03 0.21 -3.33 0.00 0.00 175.10 171.81 2h45 s ASN 62 N -1.07 5.23 -0.49 3.54 3.04 -1.26 -2.45 114.94 121.49 2h45 s ASN 62 Ca -0.11 -0.06 -0.17 0.00 0.04 0.00 0.00 52.86 52.56 2h45 s ASN 62 Cb -0.05 -1.90 0.07 0.00 -1.54 0.00 0.00 41.25 37.84 2h45 s ASN 62 CO 0.03 0.11 0.47 -0.63 -3.04 0.00 0.00 177.10 174.05 2h45 s ILE 63 N 0.72 5.13 0.66 -5.21 1.01 0.17 -4.91 121.20 118.76 2h45 s ILE 63 Ca 0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 2h45 s ILE 63 Cb -0.14 -4.20 0.07 0.00 0.01 0.00 0.00 42.46 38.21 2h45 s ILE 63 CO 0.02 -0.67 0.92 -2.16 0.00 0.00 0.00 174.94 173.05 2h45 s PRO 64 N 1.93 2.12 -1.21 2.79 0.04 -1.26 -1.00 135.00 138.41 2h45 s PRO 64 Ca 0.07 -0.72 -0.08 0.00 0.04 0.00 0.00 61.00 60.32 2h45 s PRO 64 Cb -0.23 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2h45 s PRO 64 CO 0.08 -1.14 1.00 -0.25 0.04 0.00 0.00 177.00 176.73 2h45 n ASP 65 N -2.70 -5.85 -4.80 6.66 8.00 -1.26 -4.97 116.55 111.63 2h45 n ASP 65 Ca 0.10 -0.45 -0.39 0.00 0.71 0.00 0.00 54.79 54.76 2h45 n ASP 65 Cb 0.60 -4.48 -0.06 0.00 -0.02 0.00 0.00 41.12 37.16 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 -6.49 4.50 0.11 0.64 1.43 -0.12 -5.03 118.68 113.71 2h45 s LEU 66 Ca 0.49 1.22 -0.31 0.00 -1.03 0.00 0.00 54.13 54.50 2h45 s LEU 66 Cb -0.22 -2.88 -0.08 0.00 0.03 0.00 0.00 46.19 43.04 2h45 s LEU 66 CO 0.61 0.23 1.41 -0.76 0.23 0.00 0.00 176.35 178.08 2h45 s LEU 67 N -0.87 4.36 0.25 1.79 1.43 -1.26 -4.14 118.68 120.24 2h45 s LEU 67 Ca 0.29 2.33 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 2h45 s LEU 67 Cb -0.19 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 2h45 s LEU 67 CO 0.18 -0.68 1.16 -2.16 0.23 0.00 0.00 176.35 175.08 2h45 s PRO 68 N 1.29 4.56 -0.40 1.29 0.04 -1.26 -3.18 135.00 137.33 2h45 s PRO 68 Ca 0.65 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2h45 s PRO 68 Cb -0.37 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2h45 s PRO 68 CO 0.30 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.81 2h45 n GLY 69 N 1.54 0.58 3.26 0.56 0.00 -0.92 -5.02 105.19 105.19 2h45 n GLY 69 Ca 0.01 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.75 1.15 -0.15 1.61 1.81 -1.19 -4.91 118.95 114.52 2h45 s ARG 70 Ca 0.00 -1.07 -0.10 0.00 -1.72 0.00 0.00 55.73 52.84 2h45 s ARG 70 Cb 0.00 -1.34 -0.05 0.00 -0.45 0.00 0.00 34.95 33.11 2h45 s ARG 70 CO 0.00 0.32 0.19 0.21 -0.68 0.00 0.00 175.30 175.34 2h45 s LYS 71 N -1.68 3.94 0.12 3.54 2.20 -1.26 -0.53 119.74 126.06 2h45 s LYS 71 Ca 0.06 -0.07 0.10 0.00 -0.36 0.00 0.00 55.97 55.70 2h45 s LYS 71 Cb -0.10 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2h45 s LYS 71 CO 0.03 0.47 -0.26 0.71 -0.36 0.00 0.00 175.35 175.95 2h45 s TYR 72 N -0.18 2.23 -0.17 4.03 1.51 -0.48 -0.14 117.35 124.15 2h45 s TYR 72 Ca 0.13 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2h45 s TYR 72 Cb -0.12 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2h45 s TYR 72 CO 0.02 0.30 -0.01 0.42 -1.11 0.00 0.00 175.55 175.17 2h45 s ILE 73 N -1.05 4.03 -0.12 2.71 1.01 0.37 -1.97 121.20 126.18 2h45 s ILE 73 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2h45 s ILE 73 Cb -0.10 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 2h45 s ILE 73 CO 0.05 0.47 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 2h45 s VAL 74 N 0.51 2.63 -0.06 2.92 1.01 0.19 -2.88 120.40 124.72 2h45 s VAL 74 Ca -0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2h45 s VAL 74 Cb -0.14 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2h45 s VAL 74 CO 0.02 0.54 -0.03 0.20 0.00 0.00 0.00 175.10 175.83 2h45 s ASN 75 N 0.42 1.35 -0.21 3.32 0.01 -0.86 -0.09 114.94 118.88 2h45 s ASN 75 Ca -0.13 -0.13 -0.10 0.00 -0.71 0.00 0.00 52.86 51.80 2h45 s ASN 75 Cb -0.17 -0.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.96 2h45 s ASN 75 CO 0.06 -0.12 0.12 -0.69 -1.51 0.00 0.00 177.10 174.96 2h45 s VAL 76 N 1.46 5.23 -0.05 1.60 1.01 0.17 -1.86 120.40 127.97 2h45 s VAL 76 Ca -0.02 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2h45 s VAL 76 Cb -0.13 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2h45 s VAL 76 CO -0.03 0.41 -0.25 -0.31 0.00 0.00 0.00 175.10 174.92 2h45 s TYR 77 N 0.61 2.39 -0.13 5.22 2.02 0.09 -1.71 117.35 125.86 2h45 s TYR 77 Ca 0.07 -0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 56.06 2h45 s TYR 77 Cb -0.12 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 2h45 s TYR 77 CO 0.01 -0.17 0.10 1.14 -1.57 0.00 0.00 175.55 175.06 2h45 s GLN 78 N -0.28 3.51 -0.22 -0.62 -2.07 -0.93 0.29 119.66 119.34 2h45 s GLN 78 Ca 0.00 -0.22 -0.10 0.00 -1.82 0.00 0.00 55.36 53.22 2h45 s GLN 78 Cb -0.13 -3.14 -0.05 0.00 -1.09 0.00 0.00 33.01 28.60 2h45 s GLN 78 CO 0.02 0.64 0.13 0.42 -1.32 0.00 0.00 175.29 175.19 2h45 s ILE 79 N -0.65 5.29 0.78 3.63 1.01 0.13 -2.53 121.20 128.86 2h45 s ILE 79 Ca 0.12 0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.84 2h45 s ILE 79 Cb -0.12 -3.44 0.11 0.00 0.01 0.00 0.00 42.46 39.02 2h45 s ILE 79 CO 0.02 0.40 1.10 -0.94 0.00 0.00 0.00 174.94 175.53 2h45 s SER 80 N 0.68 4.31 0.54 3.58 1.04 -0.39 0.29 113.70 123.75 2h45 s SER 80 Ca 0.07 0.32 0.36 0.00 0.48 0.00 0.00 55.95 57.18 2h45 s SER 80 Cb -0.12 -0.77 1.94 0.00 0.10 0.00 0.00 66.02 67.17 2h45 s SER 80 CO 0.01 -1.94 2.10 -0.33 0.98 0.00 0.00 173.24 174.06 2h45 h GLU 81 N -0.88 0.00 -0.01 4.02 5.08 -1.90 0.84 114.58 121.72 2h45 h GLU 81 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2h45 h GLU 81 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2h45 h GLU 81 CO 0.53 0.00 -0.29 -0.40 -1.00 0.00 0.00 179.01 177.84 2h45 n ASP 82 N -2.77 1.60 0.00 1.42 5.68 -1.26 -4.94 116.55 116.27 2h45 n ASP 82 Ca -0.02 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 2h45 n ASP 82 Cb 0.07 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 1.35 0.69 3.83 6.12 0.00 0.29 -5.06 105.19 112.41 2h45 n GLY 83 Ca 0.12 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.70 4.18 0.07 1.61 0.41 -1.26 -4.77 118.70 118.24 2h45 s GLU 84 Ca 0.00 0.86 0.06 0.00 -0.41 0.00 0.00 54.97 55.48 2h45 s GLU 84 Cb 0.00 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 2h45 s GLU 84 CO 0.00 0.24 -0.09 -0.65 -0.49 0.00 0.00 175.26 174.27 2h45 s GLN 85 N -2.52 2.27 -0.03 1.61 -0.21 -1.26 -1.26 119.66 118.26 2h45 s GLN 85 Ca 0.50 -0.92 -0.00 0.00 0.02 0.00 0.00 55.36 54.96 2h45 s GLN 85 Cb -0.13 -2.36 0.03 0.00 1.00 0.00 0.00 33.01 31.54 2h45 s GLN 85 CO 0.19 0.54 0.02 0.45 -2.12 0.00 0.00 175.29 174.37 2h45 s SER 86 N -1.89 0.34 -0.17 5.90 0.15 -1.05 -4.93 113.70 112.05 2h45 s SER 86 Ca 0.20 0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.57 2h45 s SER 86 Cb -0.11 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2h45 s SER 86 CO 0.11 -0.13 1.37 -0.22 1.20 0.00 0.00 173.24 175.57 2h45 s LEU 87 N 1.20 4.15 -0.03 3.45 2.96 -1.26 -2.19 118.68 126.95 2h45 s LEU 87 Ca -0.07 1.73 0.09 0.00 -0.22 0.00 0.00 54.13 55.65 2h45 s LEU 87 Cb -0.13 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.89 2h45 s LEU 87 CO -0.03 -0.87 0.15 2.30 -1.32 0.00 0.00 176.35 176.58 2h45 n ILE 88 N 5.58 0.15 -3.67 6.68 -5.35 -0.69 -5.01 119.36 117.06 2h45 n ILE 88 Ca 0.15 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.30 2h45 n ILE 88 Cb 0.45 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.26 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 -3.90 -0.54 -0.08 7.28 2.96 -1.21 -4.96 118.68 118.23 2h45 s LEU 89 Ca -0.04 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2h45 s LEU 89 Cb 0.05 1.73 0.03 0.00 0.50 0.00 0.00 46.19 48.50 2h45 s LEU 89 CO 0.37 -0.22 0.01 -0.55 -1.32 0.00 0.00 176.35 174.64 2h45 s SER 90 N 1.85 1.69 0.08 3.68 0.15 -1.26 0.45 113.70 120.35 2h45 s SER 90 Ca -0.08 -0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 2h45 s SER 90 Cb -0.08 -0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 63.77 2h45 s SER 90 CO -0.15 -0.21 0.15 0.28 1.20 0.00 0.00 173.24 174.51 2h45 s THR 91 N 1.97 0.15 0.12 6.45 -1.32 0.87 -4.99 115.64 118.89 2h45 s THR 91 Ca 0.04 -1.26 0.08 0.00 -1.21 0.00 0.00 61.69 59.34 2h45 s THR 91 Cb -0.13 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.49 2h45 s THR 91 CO -0.05 -0.70 -0.18 -0.94 -2.21 0.00 0.00 174.62 170.54 2h45 s SER 92 N -2.81 2.41 0.13 8.08 1.04 -1.26 0.54 113.70 121.83 2h45 s SER 92 Ca 0.04 -0.76 -0.07 0.00 0.48 0.00 0.00 55.95 55.64 2h45 s SER 92 Cb 0.05 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 2h45 s SER 92 CO -0.10 -0.02 0.20 -1.10 0.98 0.00 0.00 173.24 173.20 2h45 s GLN 93 N -2.31 0.98 -0.30 4.02 -0.21 -0.83 -5.00 119.66 116.01 2h45 s GLN 93 Ca 0.09 -1.13 -0.00 0.00 0.02 0.00 0.00 55.36 54.33 2h45 s GLN 93 Cb -0.08 0.34 0.06 0.00 1.00 0.00 0.00 33.01 34.33 2h45 s GLN 93 CO 0.05 -0.33 -0.01 0.99 -2.12 0.00 0.00 175.29 173.87 2h45 s THR 94 N -3.94 2.79 -0.62 -0.19 2.01 -1.26 -1.38 115.64 113.05 2h45 s THR 94 Ca 0.13 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.59 2h45 s THR 94 Cb 0.05 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.89 2h45 s THR 94 CO -0.04 -0.16 0.15 0.35 -0.69 0.00 0.00 174.62 174.23