#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upd s PRO 2 N 0.00 2.07 0.30 0.00 0.04 -1.26 -4.96 135.00 131.19 1upd s PRO 2 Ca 0.00 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 1upd s PRO 2 Cb 0.00 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.55 1upd s PRO 2 CO 0.00 -1.79 1.53 0.00 0.04 0.00 0.00 177.00 176.78 1upd n ALA 3 N -3.58 2.20 -1.80 8.56 0.00 -1.26 -4.95 120.51 119.68 1upd n ALA 3 Ca 0.10 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1upd n ALA 3 Cb 0.53 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1upd n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1upd s VAL 4 N -0.24 2.43 0.26 0.00 0.11 -1.26 -4.92 120.40 116.77 1upd s VAL 4 Ca 0.63 0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 59.77 1upd s VAL 4 Cb -0.52 -3.25 -0.12 0.00 -1.53 0.00 0.00 36.38 30.95 1upd s VAL 4 CO 0.52 0.08 1.56 -2.65 -3.33 0.00 0.00 175.10 171.28 1upd n PRO 5 N 1.32 2.50 -0.58 1.54 -0.02 -1.26 -4.88 135.00 133.62 1upd n PRO 5 Ca 0.03 0.89 0.10 0.00 -2.02 0.00 0.00 63.50 62.50 1upd n PRO 5 Cb 0.40 -2.65 0.36 0.00 -0.02 0.00 0.00 33.50 31.59 1upd n PRO 5 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1upd n ASP 6 N 2.41 4.66 -4.03 2.55 5.68 -1.26 -4.61 116.55 121.94 1upd n ASP 6 Ca 0.11 -2.37 -0.07 0.00 -0.50 0.00 0.00 54.79 51.95 1upd n ASP 6 Cb 0.35 -0.57 -0.09 0.00 -1.14 0.00 0.00 41.12 39.66 1upd n ASP 6 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1upd s LYS 7 N -1.70 0.65 0.47 0.11 1.02 -1.26 -5.02 119.74 114.00 1upd s LYS 7 Ca 0.51 -1.14 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 1upd s LYS 7 Cb 0.32 0.24 -0.08 0.00 -0.52 0.00 0.00 37.83 37.78 1upd s LYS 7 CO 0.27 -0.14 1.25 -2.30 -0.92 0.00 0.00 175.35 173.50 1upd n PRO 8 N 0.13 1.75 -4.40 -1.68 -0.02 -1.26 -4.66 135.00 124.86 1upd n PRO 8 Ca -0.15 0.63 -0.27 0.00 -2.02 0.00 0.00 63.50 61.69 1upd n PRO 8 Cb 0.61 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 1upd n PRO 8 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1upd s VAL 9 N -1.26 2.27 0.20 -1.45 -7.23 -0.38 -4.86 120.40 107.69 1upd s VAL 9 Ca 0.65 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 1upd s VAL 9 Cb -0.48 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 1upd s VAL 9 CO 0.55 -0.05 1.22 -1.61 -0.31 0.00 0.00 175.10 174.91 1upd s GLU 10 N -2.42 4.47 -0.37 4.82 2.02 -1.26 -0.21 118.70 125.75 1upd s GLU 10 Ca 0.17 1.93 -0.02 0.00 0.02 0.00 0.00 54.97 57.07 1upd s GLU 10 Cb -0.09 -3.22 0.09 0.00 0.10 0.00 0.00 34.13 31.02 1upd s GLU 10 CO 0.08 -0.11 0.13 0.08 0.02 0.00 0.00 175.26 175.46 1upd s VAL 11 N -0.13 3.12 -0.29 2.63 1.01 0.78 -4.89 120.40 122.63 1upd s VAL 11 Ca 0.53 -1.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 1upd s VAL 11 Cb -0.34 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1upd s VAL 11 CO 0.38 -0.52 0.73 -0.54 0.00 0.00 0.00 175.10 175.15 1upd s LYS 12 N 1.15 3.99 0.00 2.72 1.02 -1.26 -1.41 119.74 125.95 1upd s LYS 12 Ca 0.05 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1upd s LYS 12 Cb -0.22 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 1upd s LYS 12 CO -0.04 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 1upd n GLY 13 N 4.20 0.57 0.12 -3.33 0.00 0.53 -4.99 105.19 102.28 1upd n GLY 13 Ca 0.02 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 1upd n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1upd h SER 14 N 0.00 0.16 0.00 1.61 4.64 -1.96 -3.39 113.55 114.61 1upd h SER 14 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1upd h SER 14 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1upd h SER 14 CO 0.00 0.90 -0.70 0.00 -0.87 0.00 0.00 176.83 176.16 1upd n GLN 15 N -3.67 2.00 -4.24 4.77 6.02 -1.26 -5.08 117.38 115.92 1upd n GLN 15 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.75 1upd n GLN 15 Cb 0.76 -0.85 -0.12 0.00 1.02 0.00 0.00 30.24 31.05 1upd n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upd s LYS 16 N -1.46 0.99 -0.10 -1.09 1.02 -1.26 -5.13 119.74 112.71 1upd s LYS 16 Ca 0.00 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 54.93 1upd s LYS 16 Cb 0.00 -1.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.16 1upd s LYS 16 CO 0.00 0.26 -0.17 0.99 -0.92 0.00 0.00 175.35 175.51 1upd s THR 17 N -1.23 2.68 -0.09 2.17 2.01 -1.26 -0.35 115.64 119.57 1upd s THR 17 Ca 0.03 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1upd s THR 17 Cb -0.10 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1upd s THR 17 CO 0.03 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 1upd s VAL 18 N 0.16 3.14 0.01 3.82 1.01 -0.50 -4.93 120.40 123.10 1upd s VAL 18 Ca -0.10 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 1upd s VAL 18 Cb -0.16 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1upd s VAL 18 CO 0.06 0.56 0.73 -0.04 0.00 0.00 0.00 175.10 176.41 1upd s MET 19 N -0.28 4.46 -0.22 2.72 -1.94 -1.26 -0.16 119.30 122.62 1upd s MET 19 Ca 0.02 0.99 -0.04 0.00 -1.71 0.00 0.00 55.69 54.95 1upd s MET 19 Cb -0.13 -3.38 -0.01 0.00 2.01 0.00 0.00 34.83 33.32 1upd s MET 19 CO 0.03 0.23 -0.04 0.12 -0.01 0.00 0.00 175.02 175.35 1upd s PHE 20 N 0.16 2.96 -0.26 -0.03 5.36 0.71 -4.88 117.98 122.00 1upd s PHE 20 Ca 0.38 -0.89 -0.16 0.00 -0.96 0.00 0.00 56.93 55.29 1upd s PHE 20 Cb -0.20 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1upd s PHE 20 CO 0.21 -0.52 0.45 -1.25 -1.46 0.00 0.00 175.22 172.65 1upd s PRO 21 N 1.45 4.05 0.34 10.12 0.04 -1.26 -1.25 135.00 148.50 1upd s PRO 21 Ca 0.05 0.19 0.12 0.00 0.04 0.00 0.00 61.00 61.41 1upd s PRO 21 Cb -0.14 -3.65 0.61 0.00 0.04 0.00 0.00 34.50 31.36 1upd s PRO 21 CO -0.03 -0.30 1.76 0.45 0.04 0.00 0.00 177.00 178.92 1upd h HIS 22 N 8.05 0.00 -0.30 0.56 3.86 -1.83 -3.36 115.15 122.13 1upd h HIS 22 Ca -0.30 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.93 1upd h HIS 22 Cb 1.15 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.59 1upd h HIS 22 CO 0.75 0.45 0.13 0.00 0.86 0.00 0.00 177.93 180.12 1upd h ALA 23 N 1.55 0.36 0.00 2.45 0.00 -1.93 0.19 119.26 121.88 1upd h ALA 23 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upd h ALA 23 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1upd h ALA 23 CO 0.06 -0.26 0.00 -0.35 0.00 0.00 0.00 179.25 178.70 1upd n PRO 24 N -4.98 0.02 -0.49 0.00 -0.04 -1.26 -2.25 135.00 126.00 1upd n PRO 24 Ca -0.01 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 1upd n PRO 24 Cb 0.08 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.34 1upd n PRO 24 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1upd n HIS 25 N -1.46 1.16 0.31 0.54 8.25 0.04 -4.61 115.22 119.44 1upd n HIS 25 Ca 0.02 -0.65 0.19 0.00 -0.26 0.00 0.00 57.72 57.02 1upd n HIS 25 Cb 0.08 -0.22 0.98 0.00 1.12 0.00 0.00 29.99 31.95 1upd n HIS 25 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1upd h GLU 26 N 3.15 0.00 -0.86 -0.41 5.08 -1.32 -0.62 114.58 119.59 1upd h GLU 26 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1upd h GLU 26 Cb 1.31 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.25 1upd h GLU 26 CO 0.19 0.02 0.32 1.63 -1.00 0.00 0.00 179.01 180.17 1upd n LYS 27 N -3.26 2.78 -5.22 2.33 4.01 -1.26 -4.84 118.16 112.69 1upd n LYS 27 Ca -0.02 -3.47 -0.32 0.00 -0.51 0.00 0.00 58.31 54.00 1upd n LYS 27 Cb 0.16 -2.22 -0.17 0.00 -0.51 0.00 0.00 35.03 32.29 1upd n LYS 27 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1upd s VAL 28 N -4.42 2.03 0.35 -0.18 1.01 -0.24 -5.12 120.40 113.83 1upd s VAL 28 Ca 0.58 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1upd s VAL 28 Cb 0.47 -1.74 -0.11 0.00 0.00 0.00 0.00 36.38 35.00 1upd s VAL 28 CO 0.02 0.56 1.50 -0.62 0.00 0.00 0.00 175.10 176.56 1upd n GLU 29 N 3.34 2.65 -0.34 2.72 1.02 -1.26 -4.87 120.64 123.89 1upd n GLU 29 Ca -0.19 0.93 0.09 0.00 -0.02 0.00 0.00 57.16 57.98 1upd n GLU 29 Cb 0.53 -2.67 0.27 0.00 -0.02 0.00 0.00 31.44 29.55 1upd n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1upd h VAL 31 N 0.81 0.00 -0.95 0.00 3.04 -1.90 0.44 116.25 117.68 1upd h VAL 31 Ca 0.52 -0.30 0.14 0.00 -1.01 0.00 0.00 66.70 66.05 1upd h VAL 31 Cb 0.69 1.12 -0.09 0.00 -2.01 0.00 0.00 31.29 31.00 1upd h VAL 31 CO -0.34 0.00 0.57 0.74 -1.01 0.00 0.00 177.57 177.54 1upd h THR 32 N 0.00 0.84 0.00 3.17 2.02 -1.61 -3.10 112.91 114.24 1upd h THR 32 Ca 0.00 -0.30 -0.35 0.00 0.77 0.00 0.00 66.41 66.53 1upd h THR 32 Cb 0.37 -0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 1upd h THR 32 CO 0.00 0.16 -2.15 0.00 0.37 0.00 0.00 175.52 173.90 1upd n HIS 34 N -4.31 3.26 -1.45 0.00 8.25 0.08 -4.97 115.22 116.08 1upd n HIS 34 Ca -0.45 -2.92 -0.31 0.00 -0.26 0.00 0.00 57.72 53.78 1upd n HIS 34 Cb 0.80 -2.34 0.07 0.00 1.12 0.00 0.00 29.99 29.63 1upd n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1upd s HIS 35 N 2.15 2.86 0.62 4.41 -3.43 -1.17 -4.26 115.29 116.46 1upd s HIS 35 Ca 0.46 1.49 -0.18 0.00 -0.80 0.00 0.00 55.06 56.03 1upd s HIS 35 Cb 0.13 -2.97 -0.02 0.00 -1.43 0.00 0.00 32.58 28.29 1upd s HIS 35 CO -0.06 -1.49 1.20 -0.51 -2.00 0.00 0.00 174.74 171.88 1upd s LEU 36 N -5.66 3.58 -0.07 5.38 1.43 -1.26 -4.34 118.68 117.73 1upd s LEU 36 Ca 0.60 2.35 0.01 0.00 -1.03 0.00 0.00 54.13 56.05 1upd s LEU 36 Cb -0.16 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.49 1upd s LEU 36 CO 0.55 -1.72 -0.06 -0.69 0.23 0.00 0.00 176.35 174.66 1upd s VAL 37 N -1.73 0.73 -1.35 -1.59 1.01 -0.19 -4.74 120.40 112.54 1upd s VAL 37 Ca 0.76 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1upd s VAL 37 Cb -0.29 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.37 1upd s VAL 37 CO 0.36 0.29 0.46 0.47 0.00 0.00 0.00 175.10 176.68 1upd n ASP 38 N 4.40 -4.51 -0.19 3.32 8.00 -1.26 -1.22 116.55 125.09 1upd n ASP 38 Ca -0.18 -0.29 -0.03 0.00 0.71 0.00 0.00 54.79 55.01 1upd n ASP 38 Cb 0.51 -3.70 -0.01 0.00 -0.02 0.00 0.00 41.12 37.89 1upd n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1upd n GLY 39 N -1.24 0.55 3.35 0.44 0.00 -1.26 -5.02 105.19 102.01 1upd n GLY 39 Ca -0.06 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 1upd n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upd s LYS 40 N -1.36 1.29 0.54 1.61 1.02 -0.36 -5.06 119.74 117.42 1upd s LYS 40 Ca 0.00 -1.31 -0.21 0.00 0.02 0.00 0.00 55.97 54.47 1upd s LYS 40 Cb 0.00 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1upd s LYS 40 CO 0.00 0.37 1.22 -1.21 -0.92 0.00 0.00 175.35 174.81 1upd s GLU 41 N -2.19 3.29 -0.13 1.68 2.02 -1.26 -1.02 118.70 121.09 1upd s GLU 41 Ca 0.12 1.89 -0.12 0.00 0.02 0.00 0.00 54.97 56.88 1upd s GLU 41 Cb -0.09 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 32.01 1upd s GLU 41 CO 0.06 -0.97 0.35 -1.54 0.02 0.00 0.00 175.26 173.18 1upd s SER 42 N -1.39 -0.36 -0.11 -0.19 1.04 -1.26 -4.83 113.70 106.60 1upd s SER 42 Ca 0.71 0.68 0.15 0.00 0.48 0.00 0.00 55.95 57.98 1upd s SER 42 Cb -0.32 0.70 0.25 0.00 0.10 0.00 0.00 66.02 66.75 1upd s SER 42 CO 0.36 -0.14 1.13 -1.22 0.98 0.00 0.00 173.24 174.35 1upd n TYR 43 N 2.81 0.00 -1.27 5.02 4.02 -1.26 -4.57 117.16 121.90 1upd n TYR 43 Ca -0.13 -0.84 -0.33 0.00 -0.01 0.00 0.00 57.90 56.59 1upd n TYR 43 Cb 0.57 -0.14 0.10 0.00 -0.02 0.00 0.00 39.34 39.86 1upd n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1upd s ALA 44 N -2.31 2.03 0.35 -0.72 0.00 -1.26 -4.93 121.76 114.93 1upd s ALA 44 Ca 0.26 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 1upd s ALA 44 Cb 0.24 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 1upd s ALA 44 CO 0.01 -1.99 1.36 1.63 0.00 0.00 0.00 175.76 176.78 1upd n LYS 45 N -3.16 2.33 -0.09 0.00 5.02 -1.26 -4.87 118.16 116.12 1upd n LYS 45 Ca 0.12 0.82 0.02 0.00 -2.02 0.00 0.00 58.31 57.25 1upd n LYS 45 Cb 0.51 -2.45 0.35 0.00 -0.02 0.00 0.00 35.03 33.42 1upd n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1upd n GLY 47 N -1.45 1.65 3.79 0.00 0.00 -1.26 -1.13 105.19 106.79 1upd n GLY 47 Ca 0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1upd n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1upd s SER 48 N -0.61 4.58 -0.10 1.61 1.04 -0.53 -4.18 113.70 115.51 1upd s SER 48 Ca 0.26 1.55 -0.37 0.00 0.48 0.00 0.00 55.95 57.87 1upd s SER 48 Cb 0.17 -2.31 -0.15 0.00 0.10 0.00 0.00 66.02 63.83 1upd s SER 48 CO 0.11 -1.95 1.66 -0.24 0.98 0.00 0.00 173.24 173.80 1upd n SER 49 N -3.44 2.50 0.00 7.02 2.88 -1.26 -0.24 113.62 121.07 1upd n SER 49 Ca 0.08 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1upd n SER 49 Cb 0.54 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1upd n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1upd n GLY 50 N 3.74 0.98 0.00 0.46 0.00 -1.26 -4.98 105.19 104.13 1upd n GLY 50 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1upd n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upd n HIS 52 N 0.00 2.84 -0.39 0.00 8.25 -0.28 -4.74 115.22 120.89 1upd n HIS 52 Ca 0.00 -2.62 0.05 0.00 -0.26 0.00 0.00 57.72 54.89 1upd n HIS 52 Cb 0.00 -1.17 0.30 0.00 1.12 0.00 0.00 29.99 30.25 1upd n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1upd n ASP 53 N -0.08 4.49 -4.42 0.41 5.68 -1.11 -3.71 116.55 117.80 1upd n ASP 53 Ca 0.46 -2.67 -0.44 0.00 -0.50 0.00 0.00 54.79 51.65 1upd n ASP 53 Cb 0.27 -0.63 -0.09 0.00 -1.14 0.00 0.00 41.12 39.53 1upd n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1upd s ASP 54 N -0.59 6.14 0.00 -1.12 -1.08 -0.36 -4.91 116.67 114.75 1upd s ASP 54 Ca 0.41 -1.11 0.23 0.00 -0.52 0.00 0.00 52.55 51.56 1upd s ASP 54 Cb 0.31 -2.18 0.43 0.00 -1.46 0.00 0.00 42.92 40.02 1upd s ASP 54 CO 0.12 -0.58 1.41 0.18 0.52 0.00 0.00 175.17 176.82 1upd n LEU 55 N 5.25 3.39 -0.03 -1.34 4.77 -1.26 -1.91 117.00 125.87 1upd n LEU 55 Ca -0.11 -1.44 -0.04 0.00 -0.03 0.00 0.00 56.01 54.38 1upd n LEU 55 Cb 0.45 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1upd n LEU 55 CO 0.45 0.72 -0.71 0.35 -1.33 0.00 0.00 177.39 176.87 1upd n THR 56 N 1.45 0.39 -2.04 -5.08 -2.24 -1.26 -3.22 114.28 102.28 1upd n THR 56 Ca 0.19 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 1upd n THR 56 Cb 0.60 -0.79 0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1upd n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upd s ALA 57 N -2.14 2.72 -0.79 6.98 0.00 -1.26 -4.94 121.76 122.34 1upd s ALA 57 Ca -0.07 1.05 0.23 0.00 0.00 0.00 0.00 51.96 53.17 1upd s ALA 57 Cb 0.02 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.79 1upd s ALA 57 CO 0.18 -1.06 1.09 1.63 0.00 0.00 0.00 175.76 177.61 1upd n LYS 58 N -1.17 0.16 -4.20 0.00 4.76 -1.26 -4.34 118.16 112.12 1upd n LYS 58 Ca 0.11 -0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 1upd n LYS 58 Cb 0.48 -1.55 -0.11 0.00 -1.84 0.00 0.00 35.03 32.02 1upd n LYS 58 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1upd s LYS 59 N -3.11 0.90 0.00 1.97 3.01 -1.26 -3.83 119.74 117.43 1upd s LYS 59 Ca 0.06 -1.25 0.00 0.00 -1.01 0.00 0.00 55.97 53.78 1upd s LYS 59 Cb 0.15 -0.54 0.00 0.00 -1.01 0.00 0.00 37.83 36.44 1upd s LYS 59 CO 0.79 0.07 0.00 0.41 0.51 0.00 0.00 175.35 177.14 1upd n GLY 60 N 0.32 0.60 0.37 -3.33 0.00 -1.26 -4.43 105.19 97.45 1upd n GLY 60 Ca -0.14 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.30 1upd n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1upd h GLU 61 N 0.00 0.64 -0.00 1.61 4.22 -2.00 -0.13 114.58 118.92 1upd h GLU 61 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1upd h GLU 61 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1upd h GLU 61 CO 0.00 0.42 -0.06 1.63 -2.18 0.00 0.00 179.01 178.82 1upd n LYS 62 N -4.53 0.32 -2.60 1.92 4.76 -1.26 -4.77 118.16 112.00 1upd n LYS 62 Ca 0.16 -0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 55.12 1upd n LYS 62 Cb 0.44 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.11 1upd n LYS 62 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1upd s SER 63 N -2.71 7.04 0.23 4.39 0.15 -0.06 -1.22 113.70 121.52 1upd s SER 63 Ca 0.23 1.42 -0.07 0.00 0.70 0.00 0.00 55.95 58.22 1upd s SER 63 Cb 0.20 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 62.21 1upd s SER 63 CO 0.50 -0.72 1.89 0.25 1.20 0.00 0.00 173.24 176.37 1upd h LEU 64 N 9.61 0.98 -0.50 3.45 5.85 -1.46 -2.26 115.31 130.97 1upd h LEU 64 Ca -0.21 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1upd h LEU 64 Cb 1.07 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1upd h LEU 64 CO 0.98 0.69 0.21 0.22 -0.34 0.00 0.00 178.44 180.20 1upd h TYR 65 N 1.15 0.38 -0.33 1.25 5.03 -1.79 -2.27 116.97 120.38 1upd h TYR 65 Ca 0.34 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.64 1upd h TYR 65 Cb -0.06 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.11 1upd h TYR 65 CO -0.01 0.15 0.07 -0.92 -1.32 0.00 0.00 178.16 176.13 1upd h TYR 66 N 0.41 0.57 0.00 -3.82 3.20 -1.60 0.61 116.97 116.34 1upd h TYR 66 Ca 0.23 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1upd h TYR 66 Cb 0.20 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1upd h TYR 66 CO -0.14 0.59 0.00 -0.39 -1.64 0.00 0.00 178.16 176.58 1upd h VAL 67 N 0.38 0.00 0.02 1.81 -1.51 -1.17 -0.23 116.25 115.56 1upd h VAL 67 Ca 0.10 -0.34 -0.18 0.00 -1.23 0.00 0.00 66.70 65.06 1upd h VAL 67 Cb 0.31 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 1upd h VAL 67 CO 0.00 0.00 -0.96 0.58 -1.23 0.00 0.00 177.57 175.97 1upd h VAL 68 N 0.00 1.17 0.00 7.19 2.07 -1.13 -3.36 116.25 122.19 1upd h VAL 68 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1upd h VAL 68 Cb 0.45 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1upd h VAL 68 CO 0.00 0.46 -1.09 1.41 0.02 0.00 0.00 177.57 178.37 1upd n HIS 69 N -4.38 0.00 -1.88 1.57 8.25 0.18 -2.09 115.22 116.87 1upd n HIS 69 Ca -0.25 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.80 1upd n HIS 69 Cb 0.67 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 1upd n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1upd s ALA 70 N -2.85 3.63 -0.04 -1.41 0.00 -0.11 -4.72 121.76 116.25 1upd s ALA 70 Ca 0.04 1.48 0.21 0.00 0.00 0.00 0.00 51.96 53.69 1upd s ALA 70 Cb 0.13 -3.59 -0.33 0.00 0.00 0.00 0.00 23.12 19.33 1upd s ALA 70 CO 0.75 -0.91 0.47 -2.13 0.00 0.00 0.00 175.76 173.94 1upd n ARG 71 N 1.42 0.63 0.00 0.00 0.63 -1.26 -3.77 116.66 114.31 1upd n ARG 71 Ca 0.04 -0.19 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1upd n ARG 71 Cb 0.39 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.80 1upd n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1upd n GLY 72 N 1.31 -3.10 3.65 5.14 0.00 -1.26 -4.85 105.19 106.08 1upd n GLY 72 Ca -0.04 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1upd n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upd s GLU 73 N -1.15 4.19 0.21 1.61 8.01 -1.26 -5.02 118.70 125.30 1upd s GLU 73 Ca 0.00 1.03 0.06 0.00 0.01 0.00 0.00 54.97 56.08 1upd s GLU 73 Cb 0.00 -3.65 -0.05 0.00 -4.31 0.00 0.00 34.13 26.12 1upd s GLU 73 CO 0.00 -0.56 -0.09 -0.51 0.01 0.00 0.00 175.26 174.11 1upd s LEU 74 N 2.94 2.48 0.15 1.80 1.43 -1.26 -5.05 118.68 121.18 1upd s LEU 74 Ca 0.37 -1.09 0.27 0.00 -1.03 0.00 0.00 54.13 52.65 1upd s LEU 74 Cb -0.15 -0.54 0.88 0.00 0.03 0.00 0.00 46.19 46.41 1upd s LEU 74 CO 0.07 -0.30 1.78 0.29 0.23 0.00 0.00 176.35 178.43 1upd n LYS 75 N -0.40 0.20 -4.23 1.70 4.76 -1.26 -4.77 118.16 114.17 1upd n LYS 75 Ca -0.07 0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 1upd n LYS 75 Cb 0.62 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.98 1upd n LYS 75 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1upd s HIS 76 N -3.08 1.15 -0.18 2.13 3.76 -1.26 -5.13 115.29 112.69 1upd s HIS 76 Ca 0.11 -0.89 -0.28 0.00 -0.15 0.00 0.00 55.06 53.86 1upd s HIS 76 Cb 0.14 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 1upd s HIS 76 CO 0.59 -0.08 0.94 0.99 -0.85 0.00 0.00 174.74 176.33 1upd s THR 77 N -3.52 4.79 0.69 1.30 2.01 -1.26 -5.05 115.64 114.60 1upd s THR 77 Ca 0.18 1.86 -0.10 0.00 0.31 0.00 0.00 61.69 63.94 1upd s THR 77 Cb 0.05 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.34 1upd s THR 77 CO 0.00 -0.05 1.06 -0.94 -0.69 0.00 0.00 174.62 174.00 1upd s SER 78 N 1.17 5.39 0.13 3.53 1.04 -1.26 -4.86 113.70 118.84 1upd s SER 78 Ca 0.43 1.00 -0.21 0.00 0.48 0.00 0.00 55.95 57.65 1upd s SER 78 Cb -0.16 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 1upd s SER 78 CO 0.12 -1.33 1.69 0.00 0.98 0.00 0.00 173.24 174.69 1upd h LEU 80 N -0.09 0.02 -0.03 0.00 -0.00 -1.66 -1.12 115.31 112.42 1upd h LEU 80 Ca 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1upd h LEU 80 Cb 0.23 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1upd h LEU 80 CO -0.22 0.54 0.01 0.00 -0.00 0.00 0.00 178.44 178.77 1upd h ALA 81 N 1.46 0.04 -0.32 1.53 0.00 -1.57 -0.27 119.26 120.14 1upd h ALA 81 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1upd h ALA 81 Cb 0.93 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1upd h ALA 81 CO 0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 179.25 178.87 1upd h HIS 83 N 0.39 1.02 -0.97 0.00 -0.00 -1.16 -0.35 115.15 114.08 1upd h HIS 83 Ca 0.08 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.54 1upd h HIS 83 Cb 0.58 -0.34 -0.07 0.00 -0.00 0.00 0.00 27.41 27.58 1upd h HIS 83 CO 0.05 0.61 0.63 1.03 -0.00 0.00 0.00 177.93 180.25 1upd h SER 84 N 1.07 1.00 -0.42 2.45 0.87 -0.93 0.18 113.55 117.77 1upd h SER 84 Ca 0.33 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.79 1upd h SER 84 Cb -0.01 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1upd h SER 84 CO -0.09 0.63 -0.17 0.11 -0.53 0.00 0.00 176.83 176.78 1upd h LYS 85 N 1.13 0.85 -0.53 2.24 1.57 -1.04 -2.03 116.57 118.77 1upd h LYS 85 Ca 0.42 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1upd h LYS 85 Cb 0.19 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1upd h LYS 85 CO -0.17 0.99 0.26 0.28 -0.57 0.00 0.00 179.45 180.24 1upd h VAL 86 N 0.67 1.20 0.00 0.50 2.07 -0.52 -2.89 116.25 117.27 1upd h VAL 86 Ca 0.10 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1upd h VAL 86 Cb 0.72 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1upd h VAL 86 CO 0.05 0.22 -0.19 0.58 0.02 0.00 0.00 177.57 178.26 1upd h VAL 87 N 0.71 0.45 -0.93 2.57 2.07 -0.57 0.22 116.25 120.76 1upd h VAL 87 Ca 0.18 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1upd h VAL 87 Cb 0.11 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1upd h VAL 87 CO -0.02 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.36 1upd h ALA 88 N 1.81 1.39 0.00 1.67 0.00 -1.15 -1.99 119.26 120.99 1upd h ALA 88 Ca -0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1upd h ALA 88 Cb 0.75 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1upd h ALA 88 CO 0.02 0.54 -1.14 0.93 0.00 0.00 0.00 179.25 179.60 1upd h GLU 89 N 1.19 0.00 -2.21 0.00 5.08 -1.26 -3.40 114.58 113.99 1upd h GLU 89 Ca 0.36 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.14 1upd h GLU 89 Cb -0.04 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.82 1upd h GLU 89 CO -0.10 0.23 -0.90 1.63 -1.00 0.00 0.00 179.01 178.87 1upd n LYS 90 N -2.88 1.22 0.33 2.33 5.02 0.67 -4.98 118.16 119.87 1upd n LYS 90 Ca -0.05 -3.73 0.22 0.00 -2.02 0.00 0.00 58.31 52.73 1upd n LYS 90 Cb 0.74 -1.67 1.18 0.00 -0.02 0.00 0.00 35.03 35.26 1upd n LYS 90 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1upd h PRO 91 N 4.44 0.00 0.00 1.97 0.13 -1.58 -0.61 132.00 136.35 1upd h PRO 91 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1upd h PRO 91 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1upd h PRO 91 CO 0.57 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.39 1upd h GLU 92 N 0.00 0.00 -0.57 0.86 9.09 -1.94 -2.34 114.58 119.68 1upd h GLU 92 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1upd h GLU 92 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1upd h GLU 92 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 1upd n LEU 93 N -3.10 3.06 0.06 3.06 4.77 -0.23 -4.64 117.00 119.97 1upd n LEU 93 Ca -0.02 -1.53 -0.11 0.00 -0.03 0.00 0.00 56.01 54.32 1upd n LEU 93 Cb 0.13 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1upd n LEU 93 CO 0.22 0.75 0.72 0.50 -1.33 0.00 0.00 177.39 178.25 1upd h LYS 94 N 3.30 -0.33 -0.46 3.23 3.64 -1.58 -0.87 116.57 123.50 1upd h LYS 94 Ca 0.00 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1upd h LYS 94 Cb 0.77 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1upd h LYS 94 CO 0.01 -0.22 -0.20 -0.22 -2.27 0.00 0.00 179.45 176.55 1upd h LYS 95 N -0.34 0.95 -0.81 1.90 3.64 -1.85 -0.61 116.57 119.44 1upd h LYS 95 Ca 0.06 -0.40 0.07 0.00 -1.27 0.00 0.00 60.65 59.10 1upd h LYS 95 Cb 0.42 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1upd h LYS 95 CO -0.20 1.07 0.49 -0.44 -2.27 0.00 0.00 179.45 178.10 1upd h ASP 96 N 0.79 0.75 0.00 4.20 3.32 -1.74 0.09 116.42 123.83 1upd h ASP 96 Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1upd h ASP 96 Cb 0.77 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1upd h ASP 96 CO 0.06 0.47 -1.35 0.18 -1.72 0.00 0.00 179.24 176.88 1upd n LEU 97 N -4.67 0.50 0.00 1.55 4.77 -0.37 -0.39 117.00 118.39 1upd n LEU 97 Ca 0.12 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1upd n LEU 97 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1upd n LEU 97 CO 0.30 0.13 0.04 0.35 -1.33 0.00 0.00 177.39 176.87 1upd n THR 98 N -1.78 0.00 -2.15 -5.08 -2.24 -0.25 -4.88 114.28 97.90 1upd n THR 98 Ca 0.00 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.19 1upd n THR 98 Cb 0.40 1.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1upd n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1upd s GLY 99 N -0.27 2.83 0.25 3.38 0.00 0.01 -4.93 107.32 108.59 1upd s GLY 99 Ca 0.00 1.05 0.25 0.00 0.00 0.00 0.00 44.72 46.02 1upd s GLY 99 CO 0.00 1.55 1.56 0.00 0.00 0.00 0.00 173.10 176.21 1upd s ALA 101 N -3.17 0.09 -1.44 0.00 0.00 -1.26 -4.82 121.76 111.17 1upd s ALA 101 Ca 0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 1upd s ALA 101 Cb 0.10 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1upd s ALA 101 CO 0.66 -0.13 0.68 1.63 0.00 0.00 0.00 175.76 178.60 1upd n LYS 102 N 1.84 -4.62 -3.38 0.00 4.01 -0.03 -4.98 118.16 110.99 1upd n LYS 102 Ca -0.22 0.66 -0.22 0.00 -0.51 0.00 0.00 58.31 58.02 1upd n LYS 102 Cb 0.56 -5.48 0.04 0.00 -0.51 0.00 0.00 35.03 29.63 1upd n LYS 102 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1upd s SER 103 N -2.88 4.90 0.43 4.39 1.04 -0.56 -4.68 113.70 116.33 1upd s SER 103 Ca 0.44 -1.02 0.23 0.00 0.48 0.00 0.00 55.95 56.08 1upd s SER 103 Cb -0.22 0.38 0.82 0.00 0.10 0.00 0.00 66.02 67.10 1upd s SER 103 CO 0.54 -1.26 1.78 0.11 0.98 0.00 0.00 173.24 175.40 1upd h LYS 104 N 0.40 0.00 0.21 4.02 1.79 -0.93 -2.09 116.57 119.97 1upd h LYS 104 Ca -0.32 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.87 1upd h LYS 104 Cb 1.29 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.98 1upd h LYS 104 CO 0.47 0.24 -1.23 0.00 -1.08 0.00 0.00 179.45 177.85 1upd n HIS 106 N -3.87 3.01 0.88 0.00 8.25 -1.19 -4.61 115.22 117.69 1upd n HIS 106 Ca -0.16 -4.12 0.07 0.00 -0.26 0.00 0.00 57.72 53.25 1upd n HIS 106 Cb 1.00 -0.53 0.42 0.00 1.12 0.00 0.00 29.99 32.00 1upd n HIS 106 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63