#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 0.58 1.07 1.61 0.15 -1.26 -5.14 113.70 110.71 1um1 s SER 2 Ca 0.00 -0.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.44 1um1 s SER 2 Cb 0.00 -0.25 0.16 0.00 -1.71 0.00 0.00 66.02 64.22 1um1 s SER 2 CO 0.00 -0.05 0.62 -1.20 1.20 0.00 0.00 173.24 173.80 1um1 n SER 3 N 3.85 -1.64 -3.56 5.45 7.64 -1.26 -5.04 113.62 119.06 1um1 n SER 3 Ca -0.24 0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.59 1um1 n SER 3 Cb 0.52 -1.20 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 1um1 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1um1 s GLY 4 N -2.20 0.46 -0.24 0.23 0.00 -1.26 -5.18 107.32 99.13 1um1 s GLY 4 Ca 0.62 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 1um1 s GLY 4 CO 0.65 -0.45 0.61 -0.56 0.00 0.00 0.00 173.10 173.35 1um1 s SER 5 N -3.04 -0.74 -0.18 1.64 0.01 -1.26 -5.16 113.70 104.97 1um1 s SER 5 Ca 0.19 1.29 -0.13 0.00 1.31 0.00 0.00 55.95 58.60 1um1 s SER 5 Cb -0.03 1.23 0.05 0.00 0.21 0.00 0.00 66.02 67.48 1um1 s SER 5 CO 0.11 -0.22 0.47 -0.55 0.41 0.00 0.00 173.24 173.45 1um1 s SER 6 N 1.01 -0.55 0.00 2.44 0.15 -1.26 -5.14 113.70 110.36 1um1 s SER 6 Ca -0.05 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1um1 s SER 6 Cb -0.05 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1um1 s SER 6 CO -0.09 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1um1 n GLY 7 N 3.58 0.64 3.28 9.45 0.00 -1.26 -5.07 105.19 115.81 1um1 n GLY 7 Ca -0.18 -2.11 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 1um1 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1um1 s TYR 8 N -1.20 1.38 0.33 1.61 -0.85 -1.26 -5.03 117.35 112.34 1um1 s TYR 8 Ca 0.00 -1.10 0.10 0.00 -0.52 0.00 0.00 57.07 55.55 1um1 s TYR 8 Cb 0.00 -0.80 -0.06 0.00 0.38 0.00 0.00 41.96 41.48 1um1 s TYR 8 CO 0.00 -0.27 -0.07 0.54 -1.52 0.00 0.00 175.55 174.23 1um1 s VAL 9 N -3.71 2.43 -0.03 -3.49 0.11 -1.26 0.31 120.40 114.76 1um1 s VAL 9 Ca 0.31 -2.14 -0.11 0.00 -2.93 0.00 0.00 61.98 57.10 1um1 s VAL 9 Cb 0.07 -2.66 0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1um1 s VAL 9 CO 0.09 -0.23 0.26 0.72 -3.33 0.00 0.00 175.10 172.61 1um1 s PHE 10 N -2.56 -0.16 0.38 1.54 -0.71 -0.67 -4.85 117.98 110.95 1um1 s PHE 10 Ca 0.33 0.29 -0.09 0.00 -1.04 0.00 0.00 56.93 56.42 1um1 s PHE 10 Cb 0.01 0.06 -0.06 0.00 -1.21 0.00 0.00 43.02 41.82 1um1 s PHE 10 CO 0.17 -0.30 0.72 0.99 -1.34 0.00 0.00 175.22 175.46 1um1 s THR 11 N -0.95 4.85 -0.14 -4.49 2.01 -1.26 -2.43 115.64 113.23 1um1 s THR 11 Ca -0.10 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.34 1um1 s THR 11 Cb -0.05 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.77 1um1 s THR 11 CO 0.03 -0.49 0.01 -0.69 -0.69 0.00 0.00 174.62 172.79 1um1 s VAL 12 N -2.32 0.57 -0.40 3.82 1.01 0.17 -4.95 120.40 118.30 1um1 s VAL 12 Ca 0.49 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1um1 s VAL 12 Cb -0.10 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.48 1um1 s VAL 12 CO 0.32 0.04 0.20 -1.61 0.00 0.00 0.00 175.10 174.05 1um1 s GLU 13 N 1.87 2.45 0.42 2.72 2.02 -1.26 -1.65 118.70 125.27 1um1 s GLU 13 Ca 0.02 -1.50 0.07 0.00 0.02 0.00 0.00 54.97 53.58 1um1 s GLU 13 Cb -0.15 -3.64 -0.06 0.00 0.10 0.00 0.00 34.13 30.39 1um1 s GLU 13 CO -0.07 -0.92 0.13 -0.51 0.02 0.00 0.00 175.26 173.91 1um1 s LEU 14 N 1.34 2.99 -0.22 1.80 1.43 -0.98 -5.02 118.68 120.03 1um1 s LEU 14 Ca 0.03 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1um1 s LEU 14 Cb -0.22 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1um1 s LEU 14 CO 0.00 -0.55 -0.15 -0.70 0.23 0.00 0.00 176.35 175.18 1um1 s GLU 15 N -3.86 2.72 -0.30 1.70 2.12 -1.26 -2.33 118.70 117.49 1um1 s GLU 15 Ca 0.37 -1.02 -0.40 0.00 0.36 0.00 0.00 54.97 54.28 1um1 s GLU 15 Cb 0.05 -2.74 -0.18 0.00 0.26 0.00 0.00 34.13 31.53 1um1 s GLU 15 CO 0.20 -0.36 1.27 -2.13 -0.54 0.00 0.00 175.26 173.70 1um1 n ARG 16 N 4.56 0.00 -2.14 4.30 0.63 -0.71 -4.83 116.66 118.47 1um1 n ARG 16 Ca -0.18 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.64 1um1 n ARG 16 Cb 0.47 -1.33 0.03 0.00 0.45 0.00 0.00 32.46 32.08 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 2.83 2.13 0.00 5.14 0.00 -1.26 -4.70 105.19 109.33 1um1 n GLY 17 Ca 0.24 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.55 0.74 -0.00 1.61 -0.04 -1.26 -2.16 135.00 132.34 1um1 n PRO 18 Ca 0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1um1 n PRO 18 Cb 0.31 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 1um1 n PRO 18 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1um1 n SER 19 N -1.01 1.70 -0.54 3.54 3.41 -1.26 -5.02 113.62 114.44 1um1 n SER 19 Ca 0.18 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1um1 n SER 19 Cb 0.09 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.47 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1um1 n GLY 20 N 1.65 0.60 4.81 5.00 0.00 -0.92 -4.21 105.19 112.13 1um1 n GLY 20 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.54 0.00 -1.95 0.99 4.77 -1.26 -4.44 117.00 114.57 1um1 n LEU 21 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1um1 n LEU 21 Cb 0.31 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1um1 n LEU 21 CO 0.00 0.00 0.03 0.61 -1.33 0.00 0.00 177.39 176.70 1um1 n GLY 22 N 0.00 0.15 3.10 -0.72 0.00 -1.26 -3.17 105.19 103.29 1um1 n GLY 22 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1um1 n GLY 22 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1um1 s MET 23 N -4.24 1.93 -0.52 1.61 0.00 -1.26 -0.21 119.30 116.61 1um1 s MET 23 Ca 0.04 -1.73 -0.23 0.00 0.00 0.00 0.00 55.69 53.78 1um1 s MET 23 Cb -0.01 -3.39 -0.21 0.00 0.00 0.00 0.00 34.83 31.23 1um1 s MET 23 CO 0.27 -0.94 1.80 0.41 0.00 0.00 0.00 175.02 176.55 1um1 n GLY 24 N 4.49 1.96 3.72 2.11 0.00 -1.13 -4.88 105.19 111.47 1um1 n GLY 24 Ca -0.03 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1um1 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 25 N 0.69 4.44 0.18 0.99 1.43 -1.26 0.18 118.68 125.33 1um1 s LEU 25 Ca 0.57 1.96 0.07 0.00 -1.03 0.00 0.00 54.13 55.70 1um1 s LEU 25 Cb 0.14 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 1um1 s LEU 25 CO 0.17 -0.28 -0.13 -0.51 0.23 0.00 0.00 176.35 175.83 1um1 s ILE 26 N 0.38 1.53 0.09 -0.59 2.07 -0.23 -4.90 121.20 119.55 1um1 s ILE 26 Ca 0.52 -2.14 -0.30 0.00 -1.41 0.00 0.00 60.65 57.32 1um1 s ILE 26 Cb -0.27 -1.96 -0.06 0.00 0.13 0.00 0.00 42.46 40.30 1um1 s ILE 26 CO 0.31 -0.64 1.14 -0.62 -1.91 0.00 0.00 174.94 173.23 1um1 s ASP 27 N -3.23 7.17 0.38 4.50 -1.08 -1.26 -0.78 116.67 122.37 1um1 s ASP 27 Ca 0.20 1.99 0.25 0.00 -0.52 0.00 0.00 52.55 54.47 1um1 s ASP 27 Cb 0.00 -2.59 1.36 0.00 -1.46 0.00 0.00 42.92 40.24 1um1 s ASP 27 CO 0.05 -0.37 1.76 1.23 0.52 0.00 0.00 175.17 178.35 1um1 h GLY 28 N 6.30 0.00 1.09 2.66 0.00 0.73 -0.74 103.07 113.12 1um1 h GLY 28 Ca -0.42 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.61 1um1 h GLY 28 CO 0.78 0.00 -1.28 -0.33 0.00 0.00 0.00 176.54 175.70 1um1 h MET 29 N 0.00 0.48 -0.26 4.80 2.86 -1.43 1.25 114.93 122.63 1um1 h MET 29 Ca 0.00 -0.81 -0.09 0.00 -2.06 0.00 0.00 59.70 56.73 1um1 h MET 29 Cb 0.05 0.30 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1um1 h MET 29 CO 0.00 1.39 -0.23 0.45 1.06 0.00 0.00 176.91 179.58 1um1 h HIS 30 N 0.00 0.55 -4.18 -0.22 3.86 -1.47 -3.36 115.15 110.33 1um1 h HIS 30 Ca -0.22 -0.11 -0.47 0.00 -1.16 0.00 0.00 60.37 58.41 1um1 h HIS 30 Cb 2.01 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 30.36 1um1 h HIS 30 CO 0.15 0.69 0.37 0.95 0.86 0.00 0.00 177.93 180.95 1um1 s THR 31 N -4.53 4.52 0.41 2.45 -4.23 -0.92 -4.90 115.64 108.43 1um1 s THR 31 Ca -0.07 1.24 0.27 0.00 -1.18 0.00 0.00 61.69 61.95 1um1 s THR 31 Cb 0.14 -3.71 0.43 0.00 1.34 0.00 0.00 72.50 70.70 1um1 s THR 31 CO 0.79 -0.66 1.59 -0.74 -0.54 0.00 0.00 174.62 175.06 1um1 h HIS 32 N 1.00 0.66 -0.98 3.99 -0.00 -1.35 0.79 115.15 119.26 1um1 h HIS 32 Ca -0.47 0.03 0.23 0.00 -0.00 0.00 0.00 60.37 60.16 1um1 h HIS 32 Cb 1.18 -0.15 -0.18 0.00 -0.00 0.00 0.00 27.41 28.25 1um1 h HIS 32 CO 0.64 -0.34 -0.12 1.25 -0.00 0.00 0.00 177.93 179.36 1um1 h LEU 33 N 0.04 -0.71 0.00 0.26 5.85 -1.71 -3.43 115.31 115.61 1um1 h LEU 33 Ca 0.85 0.29 0.00 0.00 0.84 0.00 0.00 57.88 59.86 1um1 h LEU 33 Cb 2.50 0.55 0.00 0.00 0.37 0.00 0.00 40.66 44.08 1um1 h LEU 33 CO -0.58 -0.34 0.00 0.61 -0.34 0.00 0.00 178.44 177.79 1um1 n GLY 34 N -1.56 0.13 3.91 3.75 0.00 0.41 -4.96 105.19 106.88 1um1 n GLY 34 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.27 3.72 0.36 4.61 0.00 -0.07 -4.57 121.76 124.55 1um1 s ALA 35 Ca 0.00 -0.67 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 1um1 s ALA 35 Cb 0.00 -2.16 -0.09 0.00 0.00 0.00 0.00 23.12 20.87 1um1 s ALA 35 CO 0.00 0.36 1.06 -1.25 0.00 0.00 0.00 175.76 175.93 1um1 s PRO 36 N -3.38 4.31 0.00 0.00 0.04 -1.26 -1.34 135.00 133.37 1um1 s PRO 36 Ca 0.41 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1um1 s PRO 36 Cb -0.11 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1um1 s PRO 36 CO 0.29 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1um1 n GLY 37 N 0.61 2.19 3.84 0.56 0.00 -1.26 -4.82 105.19 106.30 1um1 n GLY 37 Ca 0.03 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 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 4.05 -0.00 0.99 2.01 -1.26 0.11 118.68 124.57 1um1 s LEU 38 Ca 0.00 0.13 -0.03 0.00 0.01 0.00 0.00 54.13 54.24 1um1 s LEU 38 Cb 0.00 -2.66 -0.00 0.00 0.01 0.00 0.00 46.19 43.54 1um1 s LEU 38 CO 0.00 0.18 0.05 -0.31 1.01 0.00 0.00 176.35 177.28 1um1 s TYR 39 N -1.42 0.06 0.00 0.29 1.51 0.04 -1.25 117.35 116.59 1um1 s TYR 39 Ca 0.31 -0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.94 1um1 s TYR 39 Cb -0.12 -0.06 -0.07 0.00 -0.11 0.00 0.00 41.96 41.60 1um1 s TYR 39 CO 0.23 -0.14 1.64 0.42 -1.11 0.00 0.00 175.55 176.59 1um1 s ILE 40 N -0.77 3.37 -0.22 2.71 1.01 0.29 -1.07 121.20 126.52 1um1 s ILE 40 Ca -0.08 0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.27 1um1 s ILE 40 Cb -0.05 -3.41 -0.17 0.00 0.01 0.00 0.00 42.46 38.83 1um1 s ILE 40 CO 0.00 -0.03 -0.13 1.67 0.00 0.00 0.00 174.94 176.45 1um1 n GLN 41 N 6.35 0.71 -4.09 2.79 7.27 0.13 0.90 117.38 131.43 1um1 n GLN 41 Ca 0.16 0.09 -0.15 0.00 0.07 0.00 0.00 57.00 57.18 1um1 n GLN 41 Cb 0.42 -1.47 -0.04 0.00 2.41 0.00 0.00 30.24 31.56 1um1 n GLN 41 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1um1 s THR 42 N -2.46 0.00 -0.27 1.69 -4.23 -1.15 -4.78 115.64 104.44 1um1 s THR 42 Ca -0.25 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1um1 s THR 42 Cb 0.07 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.41 1um1 s THR 42 CO 0.60 0.00 0.23 -0.76 -0.54 0.00 0.00 174.62 174.15 1um1 s LEU 43 N -3.23 0.03 0.31 4.79 1.43 -1.26 -2.84 118.68 117.92 1um1 s LEU 43 Ca 0.31 -0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 1um1 s LEU 43 Cb -0.00 0.21 -0.14 0.00 0.03 0.00 0.00 46.19 46.28 1um1 s LEU 43 CO 0.20 -0.39 0.67 -0.11 0.23 0.00 0.00 176.35 176.94 1um1 n LEU 44 N 5.29 0.08 -4.80 1.79 0.00 0.71 -4.84 117.00 115.22 1um1 n LEU 44 Ca -0.04 1.06 -0.33 0.00 0.00 0.00 0.00 56.01 56.70 1um1 n LEU 44 Cb 0.46 -1.11 -0.01 0.00 0.00 0.00 0.00 43.42 42.75 1um1 n LEU 44 CO 0.03 -2.49 0.71 -2.16 0.00 0.00 0.00 177.39 173.48 1um1 s PRO 45 N -1.38 3.55 -1.36 1.96 0.04 -1.26 -3.17 135.00 133.38 1um1 s PRO 45 Ca 0.62 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1um1 s PRO 45 Cb -0.73 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1um1 s PRO 45 CO 0.58 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1um1 n GLY 46 N -0.78 1.22 4.00 0.56 0.00 -1.26 -4.92 105.19 104.02 1um1 n GLY 46 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.11 5.46 0.04 1.61 1.04 -1.19 -4.91 113.70 113.65 1um1 s SER 47 Ca 0.00 -0.37 -0.17 0.00 0.48 0.00 0.00 55.95 55.89 1um1 s SER 47 Cb 0.00 -0.58 -0.21 0.00 0.10 0.00 0.00 66.02 65.33 1um1 s SER 47 CO 0.00 -0.95 1.18 1.55 0.98 0.00 0.00 173.24 175.99 1um1 h PRO 48 N 0.42 0.55 0.00 4.02 0.13 -1.87 1.40 132.00 136.65 1um1 h PRO 48 Ca -0.39 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1um1 h PRO 48 Cb 1.28 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1um1 h PRO 48 CO 0.46 1.16 0.00 0.00 -0.23 0.00 0.00 178.00 179.39 1um1 h ALA 49 N 0.40 1.00 0.00 -0.56 0.00 -1.86 0.06 119.26 118.30 1um1 h ALA 49 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1um1 h ALA 49 Cb 1.38 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1um1 h ALA 49 CO 0.14 0.00 -2.14 0.00 0.00 0.00 0.00 179.25 177.25 1um1 n ALA 50 N -1.85 1.61 -0.20 0.00 0.00 -1.13 -4.45 120.51 114.49 1um1 n ALA 50 Ca -0.01 -0.83 0.14 0.00 0.00 0.00 0.00 53.44 52.74 1um1 n ALA 50 Cb 0.11 0.13 0.45 0.00 0.00 0.00 0.00 19.45 20.14 1um1 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um1 h ALA 51 N -0.32 1.99 0.21 0.00 0.00 0.22 -1.67 119.26 119.70 1um1 h ALA 51 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1um1 h ALA 51 Cb 1.59 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1um1 h ALA 51 CO -0.18 -0.20 -0.51 0.22 0.00 0.00 0.00 179.25 178.58 1um1 h ASP 52 N 0.53 -1.49 0.00 0.00 3.58 -1.21 -3.47 116.42 114.37 1um1 h ASP 52 Ca 0.40 0.15 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1um1 h ASP 52 Cb 0.77 0.54 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1um1 h ASP 52 CO -0.15 -0.58 0.00 0.61 -2.88 0.00 0.00 179.24 176.25 1um1 n GLY 53 N -1.50 2.74 0.41 -0.78 0.00 -0.63 -4.88 105.19 100.55 1um1 n GLY 53 Ca -0.09 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.01 -6.00 1.61 1.12 -1.90 -3.38 114.38 105.81 1um1 h ARG 54 Ca 0.00 0.00 -0.77 0.00 -1.11 0.00 0.00 59.98 58.10 1um1 h ARG 54 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.93 1um1 h ARG 54 CO 0.00 -0.01 1.29 1.28 -3.11 0.00 0.00 179.97 179.42 1um1 n LEU 55 N -5.19 0.79 -4.62 3.80 4.32 -1.26 -4.89 117.00 109.95 1um1 n LEU 55 Ca 0.02 0.70 -0.24 0.00 -0.02 0.00 0.00 56.01 56.46 1um1 n LEU 55 Cb 0.26 -0.90 -0.08 0.00 -1.62 0.00 0.00 43.42 41.07 1um1 n LEU 55 CO -0.15 -0.77 -0.36 -0.94 -1.22 0.00 0.00 177.39 173.95 1um1 s SER 56 N 5.87 4.43 0.15 -1.43 1.04 -1.26 -4.94 113.70 117.56 1um1 s SER 56 Ca 1.19 -0.62 -0.31 0.00 0.48 0.00 0.00 55.95 56.69 1um1 s SER 56 Cb -1.49 -0.80 -0.08 0.00 0.10 0.00 0.00 66.02 63.75 1um1 s SER 56 CO 0.67 0.04 1.39 -0.76 0.98 0.00 0.00 173.24 175.56 1um1 s LEU 57 N -3.35 4.38 0.00 2.42 1.43 -1.26 -2.33 118.68 119.97 1um1 s LEU 57 Ca 0.29 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1um1 s LEU 57 Cb -0.07 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1um1 s LEU 57 CO 0.18 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1um1 n GLY 58 N 3.18 2.76 3.28 -3.19 0.00 0.26 -4.64 105.19 106.83 1um1 n GLY 58 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1um1 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um1 n ASP 59 N 0.00 -3.28 -4.10 1.61 8.00 -0.99 -4.33 116.55 113.46 1um1 n ASP 59 Ca 0.00 0.63 -0.33 0.00 0.71 0.00 0.00 54.79 55.81 1um1 n ASP 59 Cb 0.00 -0.91 -0.16 0.00 -0.02 0.00 0.00 41.12 40.03 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1um1 s ARG 60 N -1.33 2.83 0.44 -1.24 3.52 -1.26 0.10 118.95 122.01 1um1 s ARG 60 Ca 0.58 -0.86 -0.22 0.00 -0.13 0.00 0.00 55.73 55.10 1um1 s ARG 60 Cb -0.46 -2.56 -0.09 0.00 -1.56 0.00 0.00 34.95 30.28 1um1 s ARG 60 CO 0.65 -0.26 1.05 0.42 -0.81 0.00 0.00 175.30 176.35 1um1 s ILE 61 N 1.29 3.73 0.00 4.11 -1.09 -0.38 -1.84 121.20 127.02 1um1 s ILE 61 Ca 0.03 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.66 1um1 s ILE 61 Cb -0.14 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1um1 s ILE 61 CO -0.12 -0.11 0.00 0.18 -1.23 0.00 0.00 174.94 173.66 1um1 n LEU 62 N -0.50 1.93 -4.20 2.97 4.77 0.55 -4.40 117.00 118.13 1um1 n LEU 62 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1um1 n LEU 62 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1um1 n LEU 62 CO 0.43 0.30 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.76 1um1 s GLU 63 N -1.91 0.90 -0.15 3.23 2.02 -1.21 0.34 118.70 121.93 1um1 s GLU 63 Ca 0.00 -1.23 -0.05 0.00 0.02 0.00 0.00 54.97 53.72 1um1 s GLU 63 Cb 0.00 -0.57 0.06 0.00 0.10 0.00 0.00 34.13 33.72 1um1 s GLU 63 CO 0.00 0.08 0.09 0.08 0.02 0.00 0.00 175.26 175.53 1um1 s VAL 64 N -2.64 -0.09 -1.87 2.63 1.01 -0.91 -1.10 120.40 117.43 1um1 s VAL 64 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1um1 s VAL 64 Cb -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1um1 s VAL 64 CO 0.00 -0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.48 1um1 n ASN 65 N 5.28 -5.40 -0.37 3.32 3.02 0.38 -1.93 115.26 119.56 1um1 n ASN 65 Ca -0.06 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1um1 n ASN 65 Cb 0.49 -4.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.21 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 -0.44 0.73 2.78 7.41 0.00 -1.26 -4.90 105.19 109.52 1um1 n GLY 66 Ca -0.18 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.26 2.63 -0.05 1.61 0.15 -0.81 -5.10 113.70 109.87 1um1 s SER 67 Ca 0.00 -0.64 -0.34 0.00 0.70 0.00 0.00 55.95 55.67 1um1 s SER 67 Cb 0.00 -0.64 -0.12 0.00 -1.71 0.00 0.00 66.02 63.54 1um1 s SER 67 CO 0.00 -0.25 1.83 -1.20 1.20 0.00 0.00 173.24 174.82 1um1 n SER 68 N 5.02 3.37 -3.48 5.45 7.64 -1.26 -2.14 113.62 128.21 1um1 n SER 68 Ca -0.09 0.99 -0.38 0.00 1.01 0.00 0.00 58.87 60.40 1um1 n SER 68 Cb 0.48 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1um1 n LEU 69 N 6.11 6.62 -4.78 -3.43 0.00 0.15 -4.94 117.00 116.73 1um1 n LEU 69 Ca 0.22 -5.46 -0.36 0.00 0.00 0.00 0.00 56.01 50.41 1um1 n LEU 69 Cb 0.29 -1.02 -0.07 0.00 0.00 0.00 0.00 43.42 42.62 1um1 n LEU 69 CO 0.72 2.11 -0.11 -0.76 0.00 0.00 0.00 177.39 179.35 1um1 s LEU 70 N -4.07 4.29 0.00 -1.96 1.43 -1.26 -4.32 118.68 112.79 1um1 s LEU 70 Ca 0.41 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1um1 s LEU 70 Cb 0.21 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1um1 s LEU 70 CO -0.12 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1um1 n GLY 71 N 2.91 -0.43 3.63 -3.19 0.00 -1.26 -4.82 105.19 102.03 1um1 n GLY 71 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.46 4.08 0.00 0.99 1.43 -1.26 -5.05 118.68 114.40 1um1 s LEU 72 Ca 0.00 0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 53.62 1um1 s LEU 72 Cb 0.00 -2.73 0.14 0.00 0.03 0.00 0.00 46.19 43.63 1um1 s LEU 72 CO 0.00 -0.29 0.32 0.61 0.23 0.00 0.00 176.35 177.22 1um1 n GLY 73 N 4.22 -2.12 0.13 -3.19 0.00 -1.26 -4.58 105.19 98.38 1um1 n GLY 73 Ca -0.03 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 1um1 n GLY 73 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1um1 h TYR 74 N -2.46 -0.28 -0.88 1.61 5.03 -1.97 -2.27 116.97 115.74 1um1 h TYR 74 Ca -0.14 -0.01 0.24 0.00 2.58 0.00 0.00 58.73 61.40 1um1 h TYR 74 Cb 0.49 0.09 -0.14 0.00 1.55 0.00 0.00 36.73 38.72 1um1 h TYR 74 CO 0.00 -0.18 0.25 -0.07 -1.32 0.00 0.00 178.16 176.84 1um1 h LEU 75 N -0.47 0.02 -0.40 2.82 4.07 -1.97 0.95 115.31 120.34 1um1 h LEU 75 Ca -0.03 0.20 0.07 0.00 0.08 0.00 0.00 57.88 58.20 1um1 h LEU 75 Cb 0.23 0.26 -0.06 0.00 1.08 0.00 0.00 40.66 42.17 1um1 h LEU 75 CO 0.05 -0.15 0.02 0.03 -1.08 0.00 0.00 178.44 177.31 1um1 h ARG 76 N 0.21 0.12 -0.15 1.13 2.47 -1.89 1.59 114.38 117.86 1um1 h ARG 76 Ca 0.56 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 59.13 1um1 h ARG 76 Cb 1.13 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1um1 h ARG 76 CO -0.65 0.08 -0.49 0.00 0.56 0.00 0.00 179.97 179.47 1um1 h ALA 77 N 1.34 0.88 -0.54 0.04 0.00 0.60 -2.59 119.26 118.99 1um1 h ALA 77 Ca 0.20 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1um1 h ALA 77 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1um1 h ALA 77 CO -0.31 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 179.79 1um1 h VAL 78 N 0.32 1.27 0.00 0.00 2.07 0.23 -2.13 116.25 118.01 1um1 h VAL 78 Ca 0.02 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1um1 h VAL 78 Cb 0.97 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1um1 h VAL 78 CO 0.08 0.44 -0.11 -0.78 0.02 0.00 0.00 177.57 177.23 1um1 h ASP 79 N 0.89 0.00 0.44 0.57 3.58 0.24 0.69 116.42 122.84 1um1 h ASP 79 Ca 0.14 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1um1 h ASP 79 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1um1 h ASP 79 CO 0.05 0.11 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.23 1um1 h LEU 80 N 0.00 -0.50 -0.43 2.28 3.38 -1.01 -1.99 115.31 117.04 1um1 h LEU 80 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1um1 h LEU 80 Cb 0.20 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1um1 h LEU 80 CO 0.01 -0.13 0.00 -0.38 0.09 0.00 0.00 178.44 178.03 1um1 n ILE 81 N -5.22 0.80 -0.04 1.22 -0.00 -0.97 -2.75 119.36 112.41 1um1 n ILE 81 Ca -0.10 0.16 -0.14 0.00 -0.00 0.00 0.00 62.75 62.68 1um1 n ILE 81 Cb 0.30 -1.03 -0.09 0.00 -0.00 0.00 0.00 39.64 38.82 1um1 n ILE 81 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1um1 h ARG 82 N 0.00 0.25 -1.13 0.38 2.43 0.67 -3.07 114.38 113.91 1um1 h ARG 82 Ca 0.00 -0.16 -0.33 0.00 -0.81 0.00 0.00 59.98 58.68 1um1 h ARG 82 Cb 0.39 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 29.78 1um1 h ARG 82 CO 0.00 0.76 0.42 0.72 -1.51 0.00 0.00 179.97 180.36 1um1 n HIS 83 N -4.58 1.80 -3.88 2.20 8.25 -0.77 -4.74 115.22 113.49 1um1 n HIS 83 Ca -0.08 -1.56 -0.30 0.00 -0.26 0.00 0.00 57.72 55.52 1um1 n HIS 83 Cb 0.39 -0.78 -0.15 0.00 1.12 0.00 0.00 29.99 30.57 1um1 n HIS 83 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1um1 s GLY 84 N -0.29 1.35 0.25 -1.41 0.00 -1.16 -5.05 107.32 101.02 1um1 s GLY 84 Ca 0.34 -1.72 0.06 0.00 0.00 0.00 0.00 44.72 43.40 1um1 s GLY 84 CO 0.04 1.17 -0.05 -0.32 0.00 0.00 0.00 173.10 173.95 1um1 s GLY 85 N 1.36 1.68 0.00 0.20 0.00 -1.26 -4.87 107.32 104.43 1um1 s GLY 85 Ca 0.04 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1um1 s GLY 85 CO -0.13 -1.77 0.00 1.17 0.00 0.00 0.00 173.10 172.37 1um1 n LYS 86 N -0.50 0.00 -3.89 2.90 4.81 -1.26 -4.54 118.16 115.67 1um1 n LYS 86 Ca -0.06 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.03 1um1 n LYS 86 Cb 0.63 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.54 1um1 n LYS 86 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1um1 s LYS 87 N 0.00 3.39 -0.14 1.64 1.02 -1.26 -1.74 119.74 122.65 1um1 s LYS 87 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1um1 s LYS 87 Cb 0.00 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1um1 s LYS 87 CO 0.00 -0.20 -0.12 -1.64 -0.92 0.00 0.00 175.35 172.47 1um1 s MET 88 N 1.49 2.00 -0.02 1.68 -1.94 -0.98 -4.96 119.30 116.57 1um1 s MET 88 Ca 0.06 -0.44 -0.01 0.00 -1.71 0.00 0.00 55.69 53.59 1um1 s MET 88 Cb -0.14 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 1um1 s MET 88 CO -0.03 -0.25 0.05 1.03 -0.01 0.00 0.00 175.02 175.82 1um1 s ARG 89 N 1.57 3.01 -0.04 2.03 0.52 -1.26 -2.31 118.95 122.47 1um1 s ARG 89 Ca 0.05 -0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1um1 s ARG 89 Cb -0.13 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.54 1um1 s ARG 89 CO -0.10 0.66 0.10 -0.06 0.02 0.00 0.00 175.30 175.92 1um1 s PHE 90 N -1.11 -0.10 -0.65 -0.53 0.08 -0.66 0.14 117.98 115.16 1um1 s PHE 90 Ca 0.20 0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.46 1um1 s PHE 90 Cb -0.12 -0.04 0.17 0.00 -0.57 0.00 0.00 43.02 42.46 1um1 s PHE 90 CO 0.11 -0.09 0.53 -1.17 -0.10 0.00 0.00 175.22 174.49 1um1 s LEU 91 N 0.53 5.92 -0.19 -0.37 2.96 -0.26 -0.66 118.68 126.62 1um1 s LEU 91 Ca -0.04 -2.49 -0.07 0.00 -0.22 0.00 0.00 54.13 51.30 1um1 s LEU 91 Cb -0.06 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1um1 s LEU 91 CO -0.02 -0.55 0.06 0.54 -1.32 0.00 0.00 176.35 175.06 1um1 s VAL 92 N 0.48 4.75 0.33 1.68 0.11 -1.02 0.21 120.40 126.93 1um1 s VAL 92 Ca 0.14 -0.05 -0.19 0.00 -2.93 0.00 0.00 61.98 58.95 1um1 s VAL 92 Cb -0.19 -3.14 -0.09 0.00 -1.53 0.00 0.00 36.38 31.42 1um1 s VAL 92 CO -0.04 0.45 0.81 0.00 -3.33 0.00 0.00 175.10 172.99 1um1 s ALA 93 N 0.44 3.25 -0.72 1.54 0.00 -0.77 -1.67 121.76 123.83 1um1 s ALA 93 Ca 0.03 0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 1um1 s ALA 93 Cb -0.13 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1um1 s ALA 93 CO 0.01 0.26 1.32 0.21 0.00 0.00 0.00 175.76 177.56 1um1 s LYS 94 N -2.73 3.16 0.40 0.00 2.36 0.15 -4.14 119.74 118.94 1um1 s LYS 94 Ca 0.54 -0.15 0.06 0.00 -2.55 0.00 0.00 55.97 53.87 1um1 s LYS 94 Cb -0.12 -4.19 0.00 0.00 -1.05 0.00 0.00 37.83 32.48 1um1 s LYS 94 CO 0.18 -2.17 0.56 -1.12 1.55 0.00 0.00 175.35 174.34 1um1 s SER 95 N 4.05 5.75 0.88 1.43 0.01 -1.26 -4.36 113.70 120.19 1um1 s SER 95 Ca 0.38 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 57.31 1um1 s SER 95 Cb -0.08 -0.96 0.19 0.00 0.21 0.00 0.00 66.02 65.38 1um1 s SER 95 CO 0.16 -0.67 1.20 1.51 0.41 0.00 0.00 173.24 175.85 1um1 s ASP 96 N -4.28 3.47 0.16 2.44 1.47 -1.26 -4.98 116.67 113.68 1um1 s ASP 96 Ca 0.51 -0.14 -0.10 0.00 1.18 0.00 0.00 52.55 53.99 1um1 s ASP 96 Cb -0.10 0.04 0.01 0.00 -0.34 0.00 0.00 42.92 42.53 1um1 s ASP 96 CO 0.33 -2.47 1.55 0.58 0.68 0.00 0.00 175.17 175.84 1um1 h VAL 97 N -1.22 1.27 -0.92 2.11 2.07 -2.00 -2.93 116.25 114.63 1um1 h VAL 97 Ca -0.40 -1.36 0.26 0.00 0.82 0.00 0.00 66.70 66.03 1um1 h VAL 97 Cb 1.24 1.11 -0.14 0.00 -1.52 0.00 0.00 31.29 31.97 1um1 h VAL 97 CO 0.35 0.47 0.35 -0.33 0.02 0.00 0.00 177.57 178.43 1um1 h GLU 98 N 0.85 0.25 -0.60 1.57 5.08 -1.99 0.72 114.58 120.46 1um1 h GLU 98 Ca 0.11 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1um1 h GLU 98 Cb 0.77 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1um1 h GLU 98 CO 0.06 0.17 0.35 1.15 -1.00 0.00 0.00 179.01 179.74 1um1 h THR 99 N 0.26 1.04 -0.42 1.13 2.02 -1.90 -1.88 112.91 113.16 1um1 h THR 99 Ca 0.61 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.48 1um1 h THR 99 Cb 1.29 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1um1 h THR 99 CO -0.63 0.12 -0.03 0.00 0.37 0.00 0.00 175.52 175.35 1um1 h ALA 100 N 1.28 0.56 -0.75 6.16 0.00 0.19 -2.30 119.26 124.39 1um1 h ALA 100 Ca 0.25 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1um1 h ALA 100 Cb 0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 17.59 1um1 h ALA 100 CO -0.12 0.37 0.13 0.87 0.00 0.00 0.00 179.25 180.50 1um1 h LYS 101 N 0.58 0.20 -0.16 0.00 1.57 0.23 1.20 116.57 120.19 1um1 h LYS 101 Ca 0.11 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1um1 h LYS 101 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1um1 h LYS 101 CO 0.03 0.13 -0.25 0.87 -0.57 0.00 0.00 179.45 179.66 1um1 h LYS 102 N 0.20 0.29 -0.16 3.15 1.57 -1.12 -2.14 116.57 118.37 1um1 h LYS 102 Ca 0.43 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.98 1um1 h LYS 102 Cb 0.76 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1um1 h LYS 102 CO -0.58 0.53 -0.44 0.82 -0.57 0.00 0.00 179.45 179.21 1um1 h ILE 103 N 0.27 1.32 -3.99 1.86 1.08 0.16 -0.51 117.51 117.69 1um1 h ILE 103 Ca 0.04 -1.62 -0.46 0.00 -0.39 0.00 0.00 64.86 62.43 1um1 h ILE 103 Cb 0.59 1.69 0.09 0.00 -3.07 0.00 0.00 36.82 36.11 1um1 h ILE 103 CO 0.04 0.49 0.29 -1.00 -0.69 0.00 0.00 178.15 177.29 1um1 s HIS 104 N -4.12 2.82 -0.34 1.37 3.76 0.26 -4.74 115.29 114.31 1um1 s HIS 104 Ca -0.06 0.51 0.04 0.00 -0.15 0.00 0.00 55.06 55.40 1um1 s HIS 104 Cb 0.13 -3.33 0.16 0.00 1.11 0.00 0.00 32.58 30.65 1um1 s HIS 104 CO 0.80 -1.60 0.45 0.45 -0.85 0.00 0.00 174.74 173.99 1um1 s SER 105 N -4.56 0.21 0.00 1.40 0.15 -1.26 -4.75 113.70 104.89 1um1 s SER 105 Ca 0.62 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1um1 s SER 105 Cb -0.10 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1um1 s SER 105 CO 0.46 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1um1 n GLY 106 N 4.80 1.32 3.71 9.45 0.00 -1.26 -5.14 105.19 118.06 1um1 n GLY 106 Ca 0.06 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 1um1 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1um1 s PRO 107 N 0.00 4.43 0.21 1.61 0.04 -1.26 -5.03 135.00 135.00 1um1 s PRO 107 Ca 0.00 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1um1 s PRO 107 Cb 0.00 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1um1 s PRO 107 CO 0.00 -0.28 0.36 -1.12 0.04 0.00 0.00 177.00 176.00 1um1 s SER 108 N 1.15 6.34 -0.19 6.66 0.01 -1.26 -5.08 113.70 121.32 1um1 s SER 108 Ca 0.58 0.21 -0.16 0.00 1.31 0.00 0.00 55.95 57.89 1um1 s SER 108 Cb -0.28 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1um1 s SER 108 CO 0.28 -0.05 0.41 -0.55 0.41 0.00 0.00 173.24 173.73 1um1 s SER 109 N -3.58 6.46 0.00 2.44 0.15 -1.26 -5.34 113.70 112.58 1um1 s SER 109 Ca 0.36 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1um1 s SER 109 Cb -0.10 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1um1 s SER 109 CO 0.30 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.27