#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 s SER 2 N 0.00 -0.59 0.02 1.61 0.01 -1.26 -5.18 113.70 108.32 1um1 s SER 2 Ca 0.00 0.65 -0.16 0.00 1.31 0.00 0.00 55.95 57.75 1um1 s SER 2 Cb 0.00 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.74 1um1 s SER 2 CO 0.00 -0.54 0.34 -0.55 0.41 0.00 0.00 173.24 172.90 1um1 s SER 3 N -1.15 -0.20 0.43 2.44 0.15 -1.26 -5.12 113.70 108.99 1um1 s SER 3 Ca -0.09 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1um1 s SER 3 Cb -0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1um1 s SER 3 CO 0.08 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1um1 n GLY 4 N 0.83 -4.15 2.67 9.45 0.00 -1.26 -4.99 105.19 107.74 1um1 n GLY 4 Ca -0.20 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 1um1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um1 s SER 5 N -3.65 1.73 0.15 1.61 0.15 -1.26 -5.13 113.70 107.30 1um1 s SER 5 Ca 0.00 -1.76 -0.06 0.00 0.70 0.00 0.00 55.95 54.83 1um1 s SER 5 Cb 0.00 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1um1 s SER 5 CO 0.00 -0.28 0.20 -0.94 1.20 0.00 0.00 173.24 173.42 1um1 s SER 6 N 1.33 0.14 -0.29 5.45 1.04 -1.26 -5.17 113.70 114.95 1um1 s SER 6 Ca 0.17 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.43 1um1 s SER 6 Cb -0.18 0.38 0.13 0.00 0.10 0.00 0.00 66.02 66.46 1um1 s SER 6 CO -0.02 -0.83 0.93 -0.83 0.98 0.00 0.00 173.24 173.47 1um1 s GLY 7 N -3.00 -0.11 0.01 7.32 0.00 -1.26 -5.17 107.32 105.11 1um1 s GLY 7 Ca 0.20 3.01 0.00 0.00 0.00 0.00 0.00 44.72 47.93 1um1 s GLY 7 CO 0.01 2.53 -0.02 -2.52 0.00 0.00 0.00 173.10 173.09 1um1 s TYR 8 N 1.33 0.19 0.33 1.90 -0.85 -1.26 -5.11 117.35 113.87 1um1 s TYR 8 Ca -0.09 -0.22 0.06 0.00 -0.52 0.00 0.00 57.07 56.30 1um1 s TYR 8 Cb -0.04 -0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 1um1 s TYR 8 CO -0.15 -0.07 0.47 0.08 -1.52 0.00 0.00 175.55 174.36 1um1 s VAL 9 N -0.58 4.32 -0.10 -3.49 1.01 -1.26 -3.28 120.40 117.01 1um1 s VAL 9 Ca -0.06 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 1um1 s VAL 9 Cb -0.04 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1um1 s VAL 9 CO -0.00 -0.21 0.33 0.72 0.00 0.00 0.00 175.10 175.93 1um1 s PHE 10 N -2.17 -0.33 0.29 5.22 -0.71 -0.48 -4.97 117.98 114.84 1um1 s PHE 10 Ca 0.43 0.77 -0.07 0.00 -1.04 0.00 0.00 56.93 57.02 1um1 s PHE 10 Cb -0.09 0.12 -0.06 0.00 -1.21 0.00 0.00 43.02 41.77 1um1 s PHE 10 CO 0.31 -0.22 0.59 0.99 -1.34 0.00 0.00 175.22 175.55 1um1 s THR 11 N -0.12 4.96 -0.08 -4.49 2.01 -1.26 -2.23 115.64 114.42 1um1 s THR 11 Ca -0.03 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 1um1 s THR 11 Cb -0.03 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1um1 s THR 11 CO 0.01 -0.27 0.03 -0.69 -0.69 0.00 0.00 174.62 173.01 1um1 s VAL 12 N -2.04 0.23 -0.41 3.82 1.01 0.57 -4.96 120.40 118.61 1um1 s VAL 12 Ca 0.46 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1um1 s VAL 12 Cb -0.11 -0.48 0.09 0.00 0.00 0.00 0.00 36.38 35.88 1um1 s VAL 12 CO 0.27 0.15 0.23 -1.61 0.00 0.00 0.00 175.10 174.15 1um1 s GLU 13 N 2.03 2.41 0.25 2.72 2.02 -1.26 -0.00 118.70 126.86 1um1 s GLU 13 Ca 0.04 -1.59 0.07 0.00 0.02 0.00 0.00 54.97 53.52 1um1 s GLU 13 Cb -0.13 -3.70 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 1um1 s GLU 13 CO -0.05 -0.99 0.19 -0.51 0.02 0.00 0.00 175.26 173.92 1um1 s LEU 14 N 1.32 3.81 -0.29 1.80 2.01 0.18 -4.93 118.68 122.59 1um1 s LEU 14 Ca 0.04 -0.25 -0.03 0.00 0.01 0.00 0.00 54.13 53.90 1um1 s LEU 14 Cb -0.23 -2.34 0.04 0.00 0.01 0.00 0.00 46.19 43.66 1um1 s LEU 14 CO -0.00 -0.03 0.01 -0.70 1.01 0.00 0.00 176.35 176.63 1um1 s GLU 15 N -3.82 2.67 -0.47 1.70 2.12 -1.26 -0.31 118.70 119.33 1um1 s GLU 15 Ca 0.33 -1.11 -0.43 0.00 0.36 0.00 0.00 54.97 54.12 1um1 s GLU 15 Cb -0.08 -3.20 -0.18 0.00 0.26 0.00 0.00 34.13 30.93 1um1 s GLU 15 CO 0.25 -0.54 1.80 -2.13 -0.54 0.00 0.00 175.26 174.09 1um1 n ARG 16 N 4.70 0.00 -0.19 4.30 0.63 -1.16 -4.74 116.66 120.21 1um1 n ARG 16 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1um1 n ARG 16 Cb 0.45 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1um1 n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1um1 n GLY 17 N 5.65 -0.00 0.11 5.14 0.00 0.55 -4.88 105.19 111.76 1um1 n GLY 17 Ca 0.42 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.77 1um1 n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1um1 n PRO 18 N -0.57 0.22 -0.00 1.61 -0.04 -1.26 -3.05 135.00 131.90 1um1 n PRO 18 Ca 0.00 0.31 0.04 0.00 -0.04 0.00 0.00 63.50 63.80 1um1 n PRO 18 Cb 0.00 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1um1 n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1um1 n SER 19 N -2.21 3.29 0.00 3.54 2.88 -1.26 -5.10 113.62 114.76 1um1 n SER 19 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1um1 n SER 19 Cb 0.33 1.33 0.00 0.00 -0.75 0.00 0.00 64.21 65.11 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um1 n GLY 20 N 2.09 0.92 0.24 0.46 0.00 -1.17 -4.75 105.19 102.98 1um1 n GLY 20 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1um1 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 21 N 0.00 0.00 -4.11 0.99 4.32 -1.26 0.21 117.00 117.15 1um1 n LEU 21 Ca 0.00 -0.49 -0.37 0.00 -0.02 0.00 0.00 56.01 55.13 1um1 n LEU 21 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1um1 n LEU 21 CO 0.00 0.16 -0.28 0.61 -1.22 0.00 0.00 177.39 176.65 1um1 n GLY 22 N 0.00 -0.47 2.69 -0.72 0.00 -1.26 -3.53 105.19 101.90 1um1 n GLY 22 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1um1 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1um1 s MET 23 N -7.18 0.09 -0.99 1.61 1.00 -1.26 -0.72 119.30 111.85 1um1 s MET 23 Ca 0.25 0.30 -0.12 0.00 0.00 0.00 0.00 55.69 56.12 1um1 s MET 23 Cb -0.14 -0.66 0.23 0.00 0.00 0.00 0.00 34.83 34.27 1um1 s MET 23 CO 0.90 -0.33 0.99 0.20 0.00 0.00 0.00 175.02 176.78 1um1 s GLY 24 N 2.12 2.84 -0.23 -0.03 0.00 0.10 -4.94 107.32 107.18 1um1 s GLY 24 Ca 0.05 -3.51 -0.24 0.00 0.00 0.00 0.00 44.72 41.02 1um1 s GLY 24 CO -0.04 1.41 0.79 1.08 0.00 0.00 0.00 173.10 176.33 1um1 s LEU 25 N -0.16 4.09 0.23 0.66 2.01 -1.26 0.15 118.68 124.39 1um1 s LEU 25 Ca 0.26 0.99 0.09 0.00 0.01 0.00 0.00 54.13 55.48 1um1 s LEU 25 Cb -0.09 -3.12 -0.05 0.00 0.01 0.00 0.00 46.19 42.94 1um1 s LEU 25 CO -0.08 -0.46 -0.16 -0.51 1.01 0.00 0.00 176.35 176.15 1um1 s ILE 26 N 2.65 1.96 0.59 -0.59 2.07 -0.19 -4.84 121.20 122.86 1um1 s ILE 26 Ca 0.34 -2.27 -0.13 0.00 -1.41 0.00 0.00 60.65 57.17 1um1 s ILE 26 Cb -0.15 -2.12 -0.05 0.00 0.13 0.00 0.00 42.46 40.27 1um1 s ILE 26 CO 0.08 -0.54 1.02 -0.62 -1.91 0.00 0.00 174.94 172.98 1um1 s ASP 27 N -3.37 6.20 -0.07 4.50 2.15 -1.26 0.22 116.67 125.04 1um1 s ASP 27 Ca 0.25 1.53 0.02 0.00 0.43 0.00 0.00 52.55 54.78 1um1 s ASP 27 Cb -0.02 -2.49 0.16 0.00 -0.30 0.00 0.00 42.92 40.27 1um1 s ASP 27 CO 0.09 -0.89 0.92 0.61 -0.17 0.00 0.00 175.17 175.74 1um1 n GLY 28 N -2.12 2.08 0.11 2.66 0.00 0.48 -3.84 105.19 104.56 1um1 n GLY 28 Ca 0.07 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1um1 n GLY 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1um1 n MET 29 N 0.14 0.55 0.10 1.61 2.81 -1.14 0.21 117.12 121.40 1um1 n MET 29 Ca 0.08 0.46 -0.04 0.00 -1.81 0.00 0.00 57.70 56.39 1um1 n MET 29 Cb 0.56 -1.65 0.12 0.00 -0.71 0.00 0.00 33.22 31.54 1um1 n MET 29 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1um1 h HIS 30 N -1.00 0.21 -4.02 2.03 2.07 -1.92 -3.39 115.15 109.13 1um1 h HIS 30 Ca -0.37 -0.09 -0.45 0.00 -2.85 0.00 0.00 60.37 56.61 1um1 h HIS 30 Cb 1.26 -0.04 -0.02 0.00 2.57 0.00 0.00 27.41 31.18 1um1 h HIS 30 CO -0.03 0.75 0.35 0.95 -3.07 0.00 0.00 177.93 176.88 1um1 s THR 31 N -3.65 4.29 0.56 6.12 -4.23 -1.25 -4.88 115.64 112.60 1um1 s THR 31 Ca -0.03 1.53 0.47 0.00 -1.18 0.00 0.00 61.69 62.49 1um1 s THR 31 Cb 0.12 -3.68 0.70 0.00 1.34 0.00 0.00 72.50 70.98 1um1 s THR 31 CO 0.79 -0.21 1.57 0.45 -0.54 0.00 0.00 174.62 176.68 1um1 h HIS 32 N 2.17 0.00 -1.40 3.99 3.86 -1.68 0.53 115.15 122.62 1um1 h HIS 32 Ca -0.49 0.00 0.47 0.00 -1.16 0.00 0.00 60.37 59.19 1um1 h HIS 32 Cb 1.19 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.54 1um1 h HIS 32 CO 0.61 0.00 0.93 -0.11 0.86 0.00 0.00 177.93 180.22 1um1 n LEU 33 N -3.89 0.16 -1.73 2.43 7.94 -1.26 -4.64 117.00 116.02 1um1 n LEU 33 Ca 0.41 1.24 -0.06 0.00 -1.11 0.00 0.00 56.01 56.49 1um1 n LEU 33 Cb 1.92 -0.61 -0.02 0.00 0.53 0.00 0.00 43.42 45.24 1um1 n LEU 33 CO 0.42 -1.33 -0.06 0.61 -1.11 0.00 0.00 177.39 175.92 1um1 n GLY 34 N -1.56 0.09 3.26 -3.96 0.00 0.19 -4.88 105.19 98.33 1um1 n GLY 34 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 1um1 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1um1 s ALA 35 N -1.83 1.62 0.16 4.61 0.00 0.55 -4.89 121.76 121.99 1um1 s ALA 35 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 1um1 s ALA 35 Cb 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 1um1 s ALA 35 CO 0.00 0.23 1.12 -1.25 0.00 0.00 0.00 175.76 175.86 1um1 s PRO 36 N -2.21 4.56 0.00 0.00 0.04 -1.26 -2.58 135.00 133.54 1um1 s PRO 36 Ca 0.07 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1um1 s PRO 36 Cb -0.08 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1um1 s PRO 36 CO 0.04 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1um1 n GLY 37 N 2.23 4.51 3.92 0.56 0.00 -1.26 -4.81 105.19 110.33 1um1 n GLY 37 Ca 0.04 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1um1 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 38 N 0.00 4.10 -0.09 0.99 1.02 -1.26 0.18 118.68 123.62 1um1 s LEU 38 Ca 0.00 0.59 -0.29 0.00 0.02 0.00 0.00 54.13 54.46 1um1 s LEU 38 Cb 0.00 -3.40 0.07 0.00 0.02 0.00 0.00 46.19 42.88 1um1 s LEU 38 CO 0.00 -0.17 0.66 -0.31 0.02 0.00 0.00 176.35 176.56 1um1 s TYR 39 N -2.05 -0.66 -0.10 0.29 1.51 0.13 -3.25 117.35 113.22 1um1 s TYR 39 Ca 0.42 1.24 -0.29 0.00 -1.01 0.00 0.00 57.07 57.43 1um1 s TYR 39 Cb -0.11 0.36 -0.06 0.00 -0.11 0.00 0.00 41.96 42.05 1um1 s TYR 39 CO 0.30 -0.54 1.84 0.42 -1.11 0.00 0.00 175.55 176.46 1um1 s ILE 40 N -0.85 3.34 -0.21 2.71 1.01 -0.71 -1.02 121.20 125.46 1um1 s ILE 40 Ca -0.09 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.04 1um1 s ILE 40 Cb -0.01 -3.31 -0.19 0.00 0.01 0.00 0.00 42.46 38.96 1um1 s ILE 40 CO 0.08 -0.10 -0.08 1.67 0.00 0.00 0.00 174.94 176.51 1um1 n GLN 41 N 7.69 0.77 -3.91 2.79 -0.06 0.39 0.51 117.38 125.55 1um1 n GLN 41 Ca 0.21 0.07 -0.08 0.00 -2.00 0.00 0.00 57.00 55.19 1um1 n GLN 41 Cb 0.43 -1.47 -0.08 0.00 -4.06 0.00 0.00 30.24 25.06 1um1 n GLN 41 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1um1 s THR 42 N -2.46 0.16 -0.14 1.69 -4.23 -1.09 -4.88 115.64 104.69 1um1 s THR 42 Ca -0.21 -1.33 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1um1 s THR 42 Cb 0.07 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.61 1um1 s THR 42 CO 0.64 -0.73 0.23 -0.76 -0.54 0.00 0.00 174.62 173.46 1um1 s LEU 43 N -2.86 -0.20 0.63 4.79 1.43 -1.26 0.01 118.68 121.22 1um1 s LEU 43 Ca 0.05 0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 1um1 s LEU 43 Cb 0.06 0.52 -0.01 0.00 0.03 0.00 0.00 46.19 46.78 1um1 s LEU 43 CO -0.11 -0.27 1.19 -0.22 0.23 0.00 0.00 176.35 177.18 1um1 s LEU 44 N 2.37 3.55 -0.08 1.79 0.20 0.10 -4.96 118.68 121.65 1um1 s LEU 44 Ca 0.04 2.33 -0.22 0.00 0.69 0.00 0.00 54.13 56.97 1um1 s LEU 44 Cb -0.13 -4.59 -0.17 0.00 -0.43 0.00 0.00 46.19 40.87 1um1 s LEU 44 CO -0.09 -1.75 0.81 1.55 -0.29 0.00 0.00 176.35 176.58 1um1 h PRO 45 N 0.50 -0.11 -2.16 0.98 0.13 -2.00 -3.33 132.00 126.02 1um1 h PRO 45 Ca -0.49 0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 1um1 h PRO 45 Cb 1.29 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.34 1um1 h PRO 45 CO 0.54 0.43 0.63 0.41 -0.23 0.00 0.00 178.00 179.78 1um1 n GLY 46 N 0.93 3.88 3.43 1.56 0.00 -1.26 -4.64 105.19 109.08 1um1 n GLY 46 Ca -0.08 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 1um1 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1um1 s SER 47 N 1.21 2.14 -0.08 1.61 1.04 -1.25 -4.94 113.70 113.43 1um1 s SER 47 Ca 0.63 -1.43 -0.24 0.00 0.48 0.00 0.00 55.95 55.39 1um1 s SER 47 Cb 0.32 0.07 -0.20 0.00 0.10 0.00 0.00 66.02 66.31 1um1 s SER 47 CO -0.10 -0.69 0.90 1.55 0.98 0.00 0.00 173.24 175.88 1um1 h PRO 48 N 2.13 -0.06 -0.64 4.02 0.13 -1.85 -2.58 132.00 133.15 1um1 h PRO 48 Ca -0.39 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1um1 h PRO 48 Cb 1.25 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 1um1 h PRO 48 CO 0.65 0.58 -0.39 0.00 -0.23 0.00 0.00 178.00 178.61 1um1 h ALA 49 N 0.01 -0.15 -0.66 -0.56 0.00 -1.85 0.52 119.26 116.57 1um1 h ALA 49 Ca -0.01 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1um1 h ALA 49 Cb 0.66 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 1um1 h ALA 49 CO 0.01 -0.74 0.36 0.00 0.00 0.00 0.00 179.25 178.88 1um1 h ALA 50 N 0.86 0.88 -0.85 0.00 0.00 -1.74 0.15 119.26 118.57 1um1 h ALA 50 Ca 0.22 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.37 1um1 h ALA 50 Cb 0.56 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1um1 h ALA 50 CO -0.72 0.02 0.59 0.00 0.00 0.00 0.00 179.25 179.14 1um1 h ALA 51 N 1.35 2.48 -0.25 0.00 0.00 0.37 0.31 119.26 123.52 1um1 h ALA 51 Ca 0.30 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1um1 h ALA 51 Cb 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1um1 h ALA 51 CO -0.19 -0.74 -0.04 0.22 0.00 0.00 0.00 179.25 178.49 1um1 h ASP 52 N 0.20 0.47 0.00 0.00 3.58 0.14 -3.47 116.42 117.35 1um1 h ASP 52 Ca 0.43 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1um1 h ASP 52 Cb 1.35 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1um1 h ASP 52 CO -0.09 0.71 0.00 0.61 -2.88 0.00 0.00 179.24 177.59 1um1 n GLY 53 N -0.20 2.09 0.37 -0.78 0.00 0.11 -4.77 105.19 102.02 1um1 n GLY 53 Ca -0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1um1 n GLY 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1um1 h ARG 54 N 0.00 -0.21 -6.09 1.61 1.12 -1.85 -3.39 114.38 105.57 1um1 h ARG 54 Ca 0.00 0.01 -0.71 0.00 -1.11 0.00 0.00 59.98 58.17 1um1 h ARG 54 Cb 0.00 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.01 1um1 h ARG 54 CO 0.00 -0.14 1.12 1.28 -3.11 0.00 0.00 179.97 179.12 1um1 n LEU 55 N -5.42 2.24 -4.44 3.80 4.77 -1.26 -4.93 117.00 111.77 1um1 n LEU 55 Ca 0.02 0.82 -0.22 0.00 -0.03 0.00 0.00 56.01 56.60 1um1 n LEU 55 Cb 0.35 -1.17 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 1um1 n LEU 55 CO 0.00 -0.53 -0.47 -0.44 -1.33 0.00 0.00 177.39 174.63 1um1 s SER 56 N 5.04 3.30 -0.00 -1.43 0.01 -1.26 -4.90 113.70 114.46 1um1 s SER 56 Ca 1.04 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1um1 s SER 56 Cb -1.01 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 64.91 1um1 s SER 56 CO 0.60 -0.03 1.40 -0.76 0.41 0.00 0.00 173.24 174.86 1um1 s LEU 57 N -3.46 4.32 0.00 2.44 1.43 -1.26 -2.34 118.68 119.81 1um1 s LEU 57 Ca 0.28 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1um1 s LEU 57 Cb -0.04 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1um1 s LEU 57 CO 0.13 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1um1 n GLY 58 N 3.65 0.74 3.56 -3.19 0.00 0.18 -4.60 105.19 105.53 1um1 n GLY 58 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1um1 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1um1 s ASP 59 N -1.83 1.62 -0.08 1.61 1.01 -0.99 -4.50 116.67 113.52 1um1 s ASP 59 Ca 0.00 1.56 0.00 0.00 0.71 0.00 0.00 52.55 54.83 1um1 s ASP 59 Cb 0.00 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.68 1um1 s ASP 59 CO 0.00 -3.81 -0.07 -0.60 0.21 0.00 0.00 175.17 170.90 1um1 s ARG 60 N -4.59 1.26 0.35 8.23 3.52 -1.25 -1.74 118.95 124.73 1um1 s ARG 60 Ca 0.67 -0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.86 1um1 s ARG 60 Cb -0.23 -1.29 -0.10 0.00 -1.56 0.00 0.00 34.95 31.76 1um1 s ARG 60 CO 0.62 -0.18 0.90 0.42 -0.81 0.00 0.00 175.30 176.26 1um1 s ILE 61 N 1.38 4.36 0.00 4.11 -1.09 -1.20 -1.57 121.20 127.19 1um1 s ILE 61 Ca -0.02 1.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 1um1 s ILE 61 Cb -0.14 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1um1 s ILE 61 CO -0.04 -0.05 0.00 0.18 -1.23 0.00 0.00 174.94 173.81 1um1 n LEU 62 N 0.06 1.68 -4.24 2.97 4.77 0.54 -4.73 117.00 118.05 1um1 n LEU 62 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1um1 n LEU 62 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1um1 n LEU 62 CO 0.41 0.27 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.76 1um1 s GLU 63 N -1.98 1.05 -0.18 3.23 2.02 -1.12 -0.41 118.70 121.31 1um1 s GLU 63 Ca 0.00 -1.47 -0.04 0.00 0.02 0.00 0.00 54.97 53.48 1um1 s GLU 63 Cb 0.00 -0.42 0.07 0.00 0.10 0.00 0.00 34.13 33.88 1um1 s GLU 63 CO 0.00 -0.02 0.15 0.08 0.02 0.00 0.00 175.26 175.49 1um1 s VAL 64 N -3.50 -0.20 -0.75 2.63 1.01 -0.99 -1.05 120.40 117.55 1um1 s VAL 64 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1um1 s VAL 64 Cb 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1um1 s VAL 64 CO 0.01 -0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.49 1um1 n ASN 65 N 5.30 -5.19 -0.14 3.32 3.02 0.51 -1.64 115.26 120.44 1um1 n ASN 65 Ca -0.06 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1um1 n ASN 65 Cb 0.49 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 1um1 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1um1 n GLY 66 N -0.34 1.10 2.95 7.41 0.00 -1.26 -4.88 105.19 110.17 1um1 n GLY 66 Ca -0.07 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1um1 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um1 s SER 67 N -2.41 3.35 -0.37 1.61 0.15 -0.65 -5.08 113.70 110.30 1um1 s SER 67 Ca 0.00 -0.90 -0.42 0.00 0.70 0.00 0.00 55.95 55.33 1um1 s SER 67 Cb 0.00 -1.13 -0.17 0.00 -1.71 0.00 0.00 66.02 63.01 1um1 s SER 67 CO 0.00 -0.18 1.79 -1.54 1.20 0.00 0.00 173.24 174.51 1um1 n SER 68 N 4.73 1.88 -3.24 5.45 3.41 -1.26 -2.36 113.62 122.24 1um1 n SER 68 Ca -0.13 1.01 -0.32 0.00 -0.26 0.00 0.00 58.87 59.17 1um1 n SER 68 Cb 0.46 -1.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1um1 n LEU 69 N 5.64 5.36 0.00 1.04 7.94 0.45 -4.81 117.00 132.63 1um1 n LEU 69 Ca 0.32 -5.56 0.00 0.00 -1.11 0.00 0.00 56.01 49.66 1um1 n LEU 69 Cb 0.07 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.24 1um1 n LEU 69 CO 0.84 2.21 0.00 0.18 -1.11 0.00 0.00 177.39 179.51 1um1 n LEU 70 N -0.03 0.00 -1.86 -1.96 4.77 -1.26 -4.70 117.00 111.97 1um1 n LEU 70 Ca 0.35 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 1um1 n LEU 70 Cb 0.35 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1um1 n LEU 70 CO 0.42 0.00 1.22 0.61 -1.33 0.00 0.00 177.39 178.31 1um1 n GLY 71 N 2.86 3.65 3.63 -0.72 0.00 -1.26 -4.86 105.19 108.49 1um1 n GLY 71 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1um1 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 72 N -1.28 3.80 0.60 0.99 1.43 -1.26 -5.08 118.68 117.88 1um1 s LEU 72 Ca 0.28 0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 1um1 s LEU 72 Cb 0.20 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1um1 s LEU 72 CO -0.02 0.18 1.20 -0.83 0.23 0.00 0.00 176.35 177.11 1um1 s GLY 73 N 0.32 2.71 0.66 -3.19 0.00 -1.26 -4.63 107.32 101.92 1um1 s GLY 73 Ca 0.03 0.99 0.28 0.00 0.00 0.00 0.00 44.72 46.02 1um1 s GLY 73 CO 0.00 1.38 1.87 -1.82 0.00 0.00 0.00 173.10 174.53 1um1 h TYR 74 N 0.82 0.00 0.00 1.90 5.03 -1.98 1.51 116.97 124.25 1um1 h TYR 74 Ca -0.50 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 60.68 1um1 h TYR 74 Cb 1.30 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.55 1um1 h TYR 74 CO 0.47 0.00 -1.02 -0.07 -1.32 0.00 0.00 178.16 176.21 1um1 h LEU 75 N 0.00 0.00 0.19 2.82 3.38 -1.98 -2.40 115.31 117.31 1um1 h LEU 75 Ca 0.03 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 1um1 h LEU 75 Cb 0.79 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1um1 h LEU 75 CO -0.00 0.50 -1.69 0.03 0.09 0.00 0.00 178.44 177.37 1um1 h ARG 76 N 0.00 0.39 -0.18 1.13 2.47 0.16 -2.84 114.38 115.51 1um1 h ARG 76 Ca -0.09 -0.67 -0.11 0.00 -1.26 0.00 0.00 59.98 57.85 1um1 h ARG 76 Cb 1.46 0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 30.03 1um1 h ARG 76 CO 0.05 1.31 -0.30 0.00 0.56 0.00 0.00 179.97 181.58 1um1 h ALA 77 N 0.18 0.28 -0.25 0.04 0.00 -0.64 -1.98 119.26 116.89 1um1 h ALA 77 Ca -0.32 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.19 1um1 h ALA 77 Cb 2.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1um1 h ALA 77 CO 0.19 0.30 0.13 -0.24 0.00 0.00 0.00 179.25 179.63 1um1 h VAL 78 N 0.18 1.01 -0.59 0.00 3.04 -1.57 -1.94 116.25 116.37 1um1 h VAL 78 Ca 0.01 -0.09 0.07 0.00 -1.01 0.00 0.00 66.70 65.68 1um1 h VAL 78 Cb 0.89 0.71 -0.06 0.00 -2.01 0.00 0.00 31.29 30.82 1um1 h VAL 78 CO 0.07 0.05 0.28 -0.78 -1.01 0.00 0.00 177.57 176.18 1um1 h ASP 79 N 0.27 0.37 -0.03 3.17 1.82 -1.48 1.54 116.42 122.09 1um1 h ASP 79 Ca 0.10 0.05 0.02 0.00 -0.39 0.00 0.00 57.03 56.81 1um1 h ASP 79 Cb 0.02 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 39.96 1um1 h ASP 79 CO -0.06 0.24 -0.53 -0.07 -1.61 0.00 0.00 179.24 177.21 1um1 h LEU 80 N 0.52 -1.64 -0.08 2.28 3.38 -0.63 1.61 115.31 120.76 1um1 h LEU 80 Ca 0.28 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1um1 h LEU 80 Cb 0.24 0.62 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1um1 h LEU 80 CO -0.22 -0.50 0.02 0.40 0.09 0.00 0.00 178.44 178.23 1um1 h ILE 81 N -0.64 1.17 -0.34 1.22 5.03 -0.88 -1.46 117.51 121.61 1um1 h ILE 81 Ca 0.02 -0.53 0.07 0.00 -0.12 0.00 0.00 64.86 64.30 1um1 h ILE 81 Cb 0.70 1.38 -0.09 0.00 -3.03 0.00 0.00 36.82 35.79 1um1 h ILE 81 CO -0.37 0.15 -0.34 -0.09 -0.68 0.00 0.00 178.15 176.82 1um1 h ARG 82 N -0.07 -0.28 -1.24 2.37 2.43 0.28 0.31 114.38 118.17 1um1 h ARG 82 Ca 0.02 0.02 -0.33 0.00 -0.81 0.00 0.00 59.98 58.88 1um1 h ARG 82 Cb 0.22 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 29.67 1um1 h ARG 82 CO -0.00 -0.19 0.43 0.72 -1.51 0.00 0.00 179.97 179.42 1um1 n HIS 83 N -5.42 1.74 0.00 2.20 8.25 0.54 -4.88 115.22 117.66 1um1 n HIS 83 Ca -0.00 -1.71 0.00 0.00 -0.26 0.00 0.00 57.72 55.75 1um1 n HIS 83 Cb 0.34 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.61 1um1 n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1um1 n GLY 84 N -0.10 -2.65 3.74 -1.41 0.00 0.11 -4.92 105.19 99.97 1um1 n GLY 84 Ca 0.34 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1um1 n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1um1 s GLY 85 N 0.00 0.62 0.37 -0.02 0.00 -1.26 -5.01 107.32 102.01 1um1 s GLY 85 Ca 0.00 -0.92 0.17 0.00 0.00 0.00 0.00 44.72 43.97 1um1 s GLY 85 CO 0.00 -0.46 1.71 1.70 0.00 0.00 0.00 173.10 176.05 1um1 h LYS 86 N 2.02 0.37 -4.82 2.90 1.63 -1.95 -3.31 116.57 113.41 1um1 h LYS 86 Ca -0.31 -0.02 -0.68 0.00 -0.85 0.00 0.00 60.65 58.79 1um1 h LYS 86 Cb 1.25 -0.08 -0.29 0.00 -0.60 0.00 0.00 32.23 32.50 1um1 h LYS 86 CO 0.40 0.25 -0.67 0.15 -3.45 0.00 0.00 179.45 176.12 1um1 s LYS 87 N -5.57 2.85 -0.21 1.90 1.02 -1.26 -2.97 119.74 115.50 1um1 s LYS 87 Ca -0.09 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 1um1 s LYS 87 Cb 0.28 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1um1 s LYS 87 CO 0.80 -0.48 -0.06 -1.64 -0.92 0.00 0.00 175.35 173.05 1um1 s MET 88 N 1.39 3.35 0.05 1.68 -1.94 0.58 -4.94 119.30 119.48 1um1 s MET 88 Ca 0.00 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 53.38 1um1 s MET 88 Cb -0.18 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 1um1 s MET 88 CO -0.00 -0.18 -0.02 0.50 -0.01 0.00 0.00 175.02 175.31 1um1 s ARG 89 N 1.42 2.60 -0.08 2.03 3.00 -1.26 0.51 118.95 127.17 1um1 s ARG 89 Ca 0.05 -0.76 -0.03 0.00 -1.00 0.00 0.00 55.73 53.99 1um1 s ARG 89 Cb -0.14 -2.56 0.04 0.00 0.00 0.00 0.00 34.95 32.29 1um1 s ARG 89 CO -0.04 0.57 0.17 -0.06 0.00 0.00 0.00 175.30 175.94 1um1 s PHE 90 N -1.19 -0.20 -0.88 5.12 0.08 1.00 0.19 117.98 122.10 1um1 s PHE 90 Ca 0.22 0.57 -0.14 0.00 0.12 0.00 0.00 56.93 57.70 1um1 s PHE 90 Cb -0.12 -0.09 0.21 0.00 -0.57 0.00 0.00 43.02 42.45 1um1 s PHE 90 CO 0.14 -0.20 0.87 -1.17 -0.10 0.00 0.00 175.22 174.76 1um1 s LEU 91 N 1.42 6.44 0.18 -0.37 2.96 -0.21 -0.32 118.68 128.77 1um1 s LEU 91 Ca -0.07 -2.71 0.04 0.00 -0.22 0.00 0.00 54.13 51.18 1um1 s LEU 91 Cb -0.12 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1um1 s LEU 91 CO -0.06 -0.62 0.23 0.54 -1.32 0.00 0.00 176.35 175.12 1um1 s VAL 92 N 0.40 4.91 0.21 1.68 0.11 -0.95 0.20 120.40 126.97 1um1 s VAL 92 Ca 0.22 -0.95 0.09 0.00 -2.93 0.00 0.00 61.98 58.41 1um1 s VAL 92 Cb -0.09 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 1um1 s VAL 92 CO -0.09 -0.16 -0.02 0.00 -3.33 0.00 0.00 175.10 171.51 1um1 s ALA 93 N -1.82 3.13 -0.81 1.54 0.00 -0.61 -1.38 121.76 121.82 1um1 s ALA 93 Ca 0.33 -1.51 -0.26 0.00 0.00 0.00 0.00 51.96 50.52 1um1 s ALA 93 Cb -0.10 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1um1 s ALA 93 CO 0.26 0.39 1.44 0.21 0.00 0.00 0.00 175.76 178.06 1um1 s LYS 94 N -3.23 3.18 0.83 0.00 2.36 -1.20 -3.94 119.74 117.74 1um1 s LYS 94 Ca 0.29 -0.37 -0.12 0.00 -2.55 0.00 0.00 55.97 53.22 1um1 s LYS 94 Cb -0.08 -4.58 0.09 0.00 -1.05 0.00 0.00 37.83 32.21 1um1 s LYS 94 CO 0.18 -2.32 1.16 -1.12 1.55 0.00 0.00 175.35 174.80 1um1 s SER 95 N 4.92 4.27 0.83 1.43 0.01 -1.26 -4.87 113.70 119.03 1um1 s SER 95 Ca 0.44 0.88 -0.06 0.00 1.31 0.00 0.00 55.95 58.53 1um1 s SER 95 Cb -0.06 -1.42 0.17 0.00 0.21 0.00 0.00 66.02 64.92 1um1 s SER 95 CO 0.08 -2.06 1.13 -0.90 0.41 0.00 0.00 173.24 171.90 1um1 n ASP 96 N -3.43 0.98 -0.03 2.44 5.75 -1.26 -5.00 116.55 116.00 1um1 n ASP 96 Ca 0.07 -1.95 -0.15 0.00 -0.01 0.00 0.00 54.79 52.75 1um1 n ASP 96 Cb 0.60 -0.78 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 1um1 n ASP 96 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1um1 h VAL 97 N -0.99 1.47 -0.80 2.12 2.07 -1.97 -3.25 116.25 114.91 1um1 h VAL 97 Ca -0.37 -1.82 0.18 0.00 0.82 0.00 0.00 66.70 65.52 1um1 h VAL 97 Cb 1.24 2.52 -0.14 0.00 -1.52 0.00 0.00 31.29 33.38 1um1 h VAL 97 CO 0.35 0.51 -0.03 -0.33 0.02 0.00 0.00 177.57 178.09 1um1 h GLU 98 N -0.30 0.07 -0.18 1.57 5.08 -1.99 0.17 114.58 118.99 1um1 h GLU 98 Ca -0.03 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1um1 h GLU 98 Cb 0.99 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1um1 h GLU 98 CO 0.06 0.05 -0.25 1.15 -1.00 0.00 0.00 179.01 179.01 1um1 h THR 99 N 0.07 0.39 -0.07 1.13 2.02 -1.92 -1.77 112.91 112.76 1um1 h THR 99 Ca 0.43 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.65 1um1 h THR 99 Cb 0.77 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1um1 h THR 99 CO -0.73 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 174.91 1um1 h ALA 100 N 0.68 -0.29 -0.99 6.16 0.00 -0.77 -1.34 119.26 122.72 1um1 h ALA 100 Ca 0.12 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1um1 h ALA 100 Cb 0.47 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 1um1 h ALA 100 CO -0.35 -0.73 -0.45 0.87 0.00 0.00 0.00 179.25 178.59 1um1 h LYS 101 N -0.35 -0.01 -0.80 0.00 1.57 -0.29 1.86 116.57 118.55 1um1 h LYS 101 Ca 0.08 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 1um1 h LYS 101 Cb 0.47 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.70 1um1 h LYS 101 CO -0.27 -0.00 0.42 0.87 -0.57 0.00 0.00 179.45 179.90 1um1 h LYS 102 N -0.01 0.66 -0.69 3.15 1.57 -0.53 0.64 116.57 121.37 1um1 h LYS 102 Ca 0.29 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1um1 h LYS 102 Cb 0.54 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1um1 h LYS 102 CO -0.97 0.44 0.14 0.82 -0.57 0.00 0.00 179.45 179.31 1um1 h ILE 103 N 0.68 1.26 -3.40 1.86 1.08 0.32 -2.15 117.51 117.18 1um1 h ILE 103 Ca 0.40 -1.01 -0.56 0.00 -0.39 0.00 0.00 64.86 63.30 1um1 h ILE 103 Cb 0.45 0.59 0.10 0.00 -3.07 0.00 0.00 36.82 34.89 1um1 h ILE 103 CO -0.29 0.38 0.68 1.41 -0.69 0.00 0.00 178.15 179.64 1um1 n HIS 104 N -4.23 2.59 -0.01 1.37 8.25 0.49 -4.83 115.22 118.86 1um1 n HIS 104 Ca 0.05 0.44 -0.01 0.00 -0.26 0.00 0.00 57.72 57.95 1um1 n HIS 104 Cb 0.28 -2.49 -0.00 0.00 1.12 0.00 0.00 29.99 28.89 1um1 n HIS 104 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1um1 h SER 105 N 3.35 0.00 -2.61 0.41 0.87 -1.84 -3.46 113.55 110.27 1um1 h SER 105 Ca -0.47 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.50 1um1 h SER 105 Cb 1.26 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.83 1um1 h SER 105 CO 0.68 0.13 -0.88 -0.83 -0.53 0.00 0.00 176.83 175.40 1um1 s GLY 106 N -2.70 1.14 0.03 5.77 0.00 -1.26 -4.97 107.32 105.33 1um1 s GLY 106 Ca -0.02 -2.23 -0.18 0.00 0.00 0.00 0.00 44.72 42.28 1um1 s GLY 106 CO 0.03 2.01 1.16 -0.56 0.00 0.00 0.00 173.10 175.74 1um1 h PRO 107 N 6.39 0.49 0.00 2.90 0.13 -1.96 -3.47 132.00 136.48 1um1 h PRO 107 Ca 0.14 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1um1 h PRO 107 Cb 0.93 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1um1 h PRO 107 CO 0.34 1.11 0.00 0.45 -0.23 0.00 0.00 178.00 179.68 1um1 n SER 108 N -4.18 -2.41 -4.78 1.44 2.88 -1.26 -5.13 113.62 100.18 1um1 n SER 108 Ca -0.10 0.61 -0.36 0.00 -1.33 0.00 0.00 58.87 57.69 1um1 n SER 108 Cb 0.67 2.42 -0.04 0.00 -0.75 0.00 0.00 64.21 66.51 1um1 n SER 108 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1um1 s SER 109 N -2.00 6.79 0.00 -3.46 0.01 -1.26 -5.27 113.70 108.51 1um1 s SER 109 Ca 0.00 2.02 0.25 0.00 1.31 0.00 0.00 55.95 59.53 1um1 s SER 109 Cb 0.00 -2.58 0.33 0.00 0.21 0.00 0.00 66.02 63.97 1um1 s SER 109 CO 0.00 -0.47 1.34 0.61 0.41 0.00 0.00 173.24 175.13