#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 n SER 2 N 0.00 1.44 -3.41 1.61 7.64 -1.26 -5.06 113.62 114.58 1um1 n SER 2 Ca 0.00 0.22 -0.23 0.00 1.01 0.00 0.00 58.87 59.87 1um1 n SER 2 Cb 0.00 -0.51 0.17 0.00 -1.01 0.00 0.00 64.21 62.86 1um1 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1um1 n SER 3 N -3.88 -0.41 0.00 6.43 7.64 -1.26 -5.08 113.62 117.07 1um1 n SER 3 Ca -0.06 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1um1 n SER 3 Cb 0.22 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1um1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 4 N -1.99 4.68 1.91 0.23 0.00 -1.26 -5.12 105.19 103.64 1um1 n GLY 4 Ca 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1um1 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1um1 n SER 5 N 0.00 -3.58 -4.68 1.61 7.64 -1.26 -5.14 113.62 108.21 1um1 n SER 5 Ca 0.00 0.83 -0.32 0.00 1.01 0.00 0.00 58.87 60.40 1um1 n SER 5 Cb 0.00 3.39 0.15 0.00 -1.01 0.00 0.00 64.21 66.75 1um1 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1um1 s SER 6 N -2.00 3.16 0.02 6.43 0.01 -1.26 -5.03 113.70 115.03 1um1 s SER 6 Ca 0.00 2.21 -0.29 0.00 1.31 0.00 0.00 55.95 59.18 1um1 s SER 6 Cb 0.00 -2.57 0.10 0.00 0.21 0.00 0.00 66.02 63.76 1um1 s SER 6 CO 0.00 -2.95 1.23 -0.83 0.41 0.00 0.00 173.24 171.10 1um1 s GLY 7 N -2.60 -0.27 -0.07 3.44 0.00 -1.26 -5.14 107.32 101.42 1um1 s GLY 7 Ca 0.68 0.37 -0.00 0.00 0.00 0.00 0.00 44.72 45.77 1um1 s GLY 7 CO 0.56 1.68 -0.04 -2.52 0.00 0.00 0.00 173.10 172.79 1um1 s TYR 8 N -2.38 3.03 0.32 1.90 -0.85 -1.26 -5.00 117.35 113.11 1um1 s TYR 8 Ca 0.18 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.83 1um1 s TYR 8 Cb 0.02 -1.74 -0.04 0.00 0.38 0.00 0.00 41.96 40.59 1um1 s TYR 8 CO -0.02 0.40 0.53 0.08 -1.52 0.00 0.00 175.55 175.02 1um1 s VAL 9 N -0.86 5.11 -0.11 -3.49 1.01 -1.26 -2.80 120.40 117.99 1um1 s VAL 9 Ca 0.13 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1um1 s VAL 9 Cb -0.11 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1um1 s VAL 9 CO 0.03 -0.49 0.29 0.72 0.00 0.00 0.00 175.10 175.64 1um1 s PHE 10 N -2.24 -0.33 0.57 5.22 -0.71 0.21 -4.95 117.98 115.75 1um1 s PHE 10 Ca 0.40 0.81 -0.07 0.00 -1.04 0.00 0.00 56.93 57.03 1um1 s PHE 10 Cb -0.10 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 1um1 s PHE 10 CO 0.35 -0.17 0.90 0.99 -1.34 0.00 0.00 175.22 175.95 1um1 s THR 11 N 0.35 4.13 -0.15 -4.49 2.01 -1.26 -0.36 115.64 115.86 1um1 s THR 11 Ca -0.02 0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 1um1 s THR 11 Cb -0.03 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.91 1um1 s THR 11 CO -0.01 -0.67 0.09 -0.69 -0.69 0.00 0.00 174.62 172.64 1um1 s VAL 12 N -2.98 -0.08 -0.38 3.82 1.01 0.24 -4.82 120.40 117.21 1um1 s VAL 12 Ca 0.53 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1um1 s VAL 12 Cb -0.11 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1um1 s VAL 12 CO 0.47 -0.22 0.19 -1.61 0.00 0.00 0.00 175.10 173.92 1um1 s GLU 13 N 2.14 2.66 0.43 2.72 2.02 -1.26 -1.04 118.70 126.36 1um1 s GLU 13 Ca 0.02 -1.25 0.07 0.00 0.02 0.00 0.00 54.97 53.82 1um1 s GLU 13 Cb -0.16 -3.65 -0.06 0.00 0.10 0.00 0.00 34.13 30.37 1um1 s GLU 13 CO -0.08 -0.78 0.11 -0.51 0.02 0.00 0.00 175.26 174.02 1um1 s LEU 14 N 1.45 2.94 -0.23 1.80 1.43 -0.88 -4.99 118.68 120.20 1um1 s LEU 14 Ca 0.01 -1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 51.84 1um1 s LEU 14 Cb -0.21 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1um1 s LEU 14 CO 0.04 -0.56 -0.05 -0.70 0.23 0.00 0.00 176.35 175.31 1um1 s GLU 15 N -3.84 3.12 -0.45 1.70 2.56 -1.26 -1.18 118.70 119.35 1um1 s GLU 15 Ca 0.36 -0.79 -0.46 0.00 0.00 0.00 0.00 54.97 54.08 1um1 s GLU 15 Cb 0.06 -3.00 -0.20 0.00 2.00 0.00 0.00 34.13 32.99 1um1 s GLU 15 CO 0.19 -0.30 1.58 -2.13 -0.56 0.00 0.00 175.26 174.05 1um1 n ARG 16 N 4.74 0.11 -1.63 4.30 0.63 0.57 -4.76 116.66 120.63 1um1 n ARG 16 Ca -0.17 0.04 -0.08 0.00 -0.92 0.00 0.00 57.85 56.72 1um1 n ARG 16 Cb 0.49 -1.56 0.03 0.00 0.45 0.00 0.00 32.46 31.88 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 3.87 1.53 0.07 5.14 0.00 -1.26 -4.92 105.19 109.61 1um1 n GLY 17 Ca 0.30 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.56 0.14 0.01 1.61 -0.04 -1.26 -2.31 135.00 131.59 1um1 n PRO 18 Ca 0.06 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1um1 n PRO 18 Cb 0.23 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 1um1 n PRO 18 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1um1 n SER 19 N -1.96 0.61 -0.37 3.54 7.64 -1.26 -4.97 113.62 116.85 1um1 n SER 19 Ca 0.04 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1um1 n SER 19 Cb 0.30 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 20 N 1.39 0.90 2.80 0.23 0.00 -0.98 -4.00 105.19 105.53 1um1 n GLY 20 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.37 0.00 -2.89 0.99 4.77 -1.26 -4.47 117.00 113.77 1um1 n LEU 21 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1um1 n LEU 21 Cb 0.32 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1um1 n LEU 21 CO 0.00 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 176.72 1um1 n GLY 22 N 0.00 -0.48 3.02 -0.72 0.00 -1.26 -3.09 105.19 102.66 1um1 n GLY 22 Ca 0.00 0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.52 1.59 -0.66 1.61 0.00 -1.26 -2.46 119.30 113.60 1um1 s MET 23 Ca 0.20 -1.76 -0.17 0.00 0.00 0.00 0.00 55.69 53.96 1um1 s MET 23 Cb -0.03 -3.12 -0.15 0.00 0.00 0.00 0.00 34.83 31.54 1um1 s MET 23 CO 0.58 -0.87 1.86 0.41 0.00 0.00 0.00 175.02 177.00 1um1 n GLY 24 N 4.30 2.40 3.77 2.11 0.00 -0.46 -4.89 105.19 112.41 1um1 n GLY 24 Ca 0.01 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 0.67 4.15 0.02 0.99 1.43 -1.26 0.12 118.68 124.81 1um1 s LEU 25 Ca 0.50 2.27 -0.06 0.00 -1.03 0.00 0.00 54.13 55.81 1um1 s LEU 25 Cb 0.12 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 1um1 s LEU 25 CO 0.10 -0.68 0.11 -0.51 0.23 0.00 0.00 176.35 175.60 1um1 s ILE 26 N -1.49 0.11 -0.00 -0.59 2.07 -0.14 -4.81 121.20 116.34 1um1 s ILE 26 Ca 0.58 -0.90 -0.30 0.00 -1.41 0.00 0.00 60.65 58.62 1um1 s ILE 26 Cb -0.28 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.59 1um1 s ILE 26 CO 0.35 -0.50 1.31 -0.62 -1.91 0.00 0.00 174.94 173.58 1um1 s ASP 27 N -1.78 6.94 0.58 4.50 -1.08 -1.26 -2.22 116.67 122.35 1um1 s ASP 27 Ca -0.10 2.02 0.37 0.00 -0.52 0.00 0.00 52.55 54.32 1um1 s ASP 27 Cb -0.04 -2.56 1.32 0.00 -1.46 0.00 0.00 42.92 40.17 1um1 s ASP 27 CO -0.02 -0.64 1.48 1.23 0.52 0.00 0.00 175.17 177.74 1um1 h GLY 28 N 8.03 0.00 0.81 2.66 0.00 0.31 1.44 103.07 116.32 1um1 h GLY 28 Ca -0.37 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1um1 h GLY 28 CO 0.88 0.00 -0.26 -0.33 0.00 0.00 0.00 176.54 176.84 1um1 h MET 29 N 0.00 0.46 0.00 4.80 2.86 -1.70 -2.60 114.93 118.76 1um1 h MET 29 Ca 0.66 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1um1 h MET 29 Cb 3.12 0.03 0.00 0.00 0.06 0.00 0.00 31.60 34.81 1um1 h MET 29 CO -0.01 0.87 0.00 0.72 1.06 0.00 0.00 176.91 179.56 1um1 n HIS 30 N -4.42 0.55 -4.15 -0.22 8.25 0.49 -4.48 115.22 111.24 1um1 n HIS 30 Ca -0.06 0.28 -0.22 0.00 -0.26 0.00 0.00 57.72 57.46 1um1 n HIS 30 Cb 0.44 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.55 1um1 n HIS 30 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1um1 s THR 31 N -3.39 4.24 0.66 1.59 -4.23 -1.01 -4.97 115.64 108.53 1um1 s THR 31 Ca -0.01 -1.50 0.32 0.00 -1.18 0.00 0.00 61.69 59.33 1um1 s THR 31 Cb 0.05 -3.28 0.33 0.00 1.34 0.00 0.00 72.50 70.94 1um1 s THR 31 CO 0.17 -0.35 2.00 -0.74 -0.54 0.00 0.00 174.62 175.16 1um1 h HIS 32 N 1.61 0.00 -1.22 3.99 -0.00 -1.49 -0.82 115.15 117.22 1um1 h HIS 32 Ca -0.48 0.00 0.37 0.00 -0.00 0.00 0.00 60.37 60.27 1um1 h HIS 32 Cb 1.24 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.54 1um1 h HIS 32 CO 0.58 0.00 0.79 1.25 -0.00 0.00 0.00 177.93 180.56 1um1 h LEU 33 N 0.00 0.30 1.61 0.26 5.85 -1.66 -3.44 115.31 118.23 1um1 h LEU 33 Ca 0.01 0.11 -0.32 0.00 0.84 0.00 0.00 57.88 58.52 1um1 h LEU 33 Cb 0.56 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1um1 h LEU 33 CO -0.00 -0.08 -0.33 0.61 -0.34 0.00 0.00 178.44 178.30 1um1 n GLY 34 N -1.52 0.81 3.26 3.75 0.00 -0.31 -4.94 105.19 106.24 1um1 n GLY 34 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.49 1.74 0.09 4.61 0.00 -1.22 -4.90 121.76 119.58 1um1 s ALA 35 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1um1 s ALA 35 Cb 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 1um1 s ALA 35 CO 0.00 0.37 1.15 -1.25 0.00 0.00 0.00 175.76 176.03 1um1 s PRO 36 N -1.46 4.49 0.00 0.00 0.04 -1.26 -2.29 135.00 134.51 1um1 s PRO 36 Ca 0.07 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1um1 s PRO 36 Cb -0.09 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1um1 s PRO 36 CO 0.03 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1um1 n GLY 37 N 2.81 0.55 3.51 0.56 0.00 -1.26 -4.89 105.19 106.47 1um1 n GLY 37 Ca 0.07 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 2.84 0.09 0.99 2.01 -1.26 0.79 118.68 124.14 1um1 s LEU 38 Ca 0.00 -0.21 -0.11 0.00 0.01 0.00 0.00 54.13 53.82 1um1 s LEU 38 Cb 0.00 -1.61 0.01 0.00 0.01 0.00 0.00 46.19 44.60 1um1 s LEU 38 CO 0.00 0.32 0.26 -0.31 1.01 0.00 0.00 176.35 177.63 1um1 s TYR 39 N -0.83 0.02 -0.20 0.29 1.51 -0.94 -0.42 117.35 116.78 1um1 s TYR 39 Ca 0.13 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.55 1um1 s TYR 39 Cb -0.11 0.04 -0.00 0.00 -0.11 0.00 0.00 41.96 41.78 1um1 s TYR 39 CO 0.03 -0.57 0.93 0.42 -1.11 0.00 0.00 175.55 175.24 1um1 s ILE 40 N -3.61 4.79 -0.14 2.71 1.01 -1.21 -0.97 121.20 123.78 1um1 s ILE 40 Ca 0.03 1.81 0.13 0.00 0.00 0.00 0.00 60.65 62.61 1um1 s ILE 40 Cb 0.03 -4.21 -0.24 0.00 0.01 0.00 0.00 42.46 38.05 1um1 s ILE 40 CO -0.10 -0.07 0.27 1.67 0.00 0.00 0.00 174.94 176.71 1um1 n GLN 41 N 5.74 0.67 -3.82 2.79 7.27 0.33 -1.23 117.38 129.13 1um1 n GLN 41 Ca 0.08 0.13 -0.09 0.00 0.07 0.00 0.00 57.00 57.19 1um1 n GLN 41 Cb 0.48 -1.63 -0.05 0.00 2.41 0.00 0.00 30.24 31.45 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 -2.54 0.03 -0.06 1.69 -4.23 -1.10 -4.90 115.64 104.54 1um1 s THR 42 Ca -0.11 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 1um1 s THR 42 Cb 0.07 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.24 1um1 s THR 42 CO 0.80 -0.15 0.13 -0.76 -0.54 0.00 0.00 174.62 174.11 1um1 s LEU 43 N -2.91 0.78 0.58 4.79 1.43 -1.26 -1.36 118.68 120.72 1um1 s LEU 43 Ca 0.12 0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 53.34 1um1 s LEU 43 Cb -0.00 0.31 -0.05 0.00 0.03 0.00 0.00 46.19 46.48 1um1 s LEU 43 CO -0.01 -0.14 1.02 -0.76 0.23 0.00 0.00 176.35 176.69 1um1 s LEU 44 N 1.14 3.46 -0.07 1.79 1.02 -1.03 -5.01 118.68 119.98 1um1 s LEU 44 Ca -0.09 1.60 -0.19 0.00 0.02 0.00 0.00 54.13 55.48 1um1 s LEU 44 Cb -0.12 -4.50 -0.14 0.00 0.02 0.00 0.00 46.19 41.45 1um1 s LEU 44 CO -0.06 -0.88 0.70 1.55 0.02 0.00 0.00 176.35 177.69 1um1 h PRO 45 N 0.37 -0.16 -1.99 1.29 0.13 -1.98 -3.32 132.00 126.33 1um1 h PRO 45 Ca -0.46 0.01 -0.37 0.00 -0.87 0.00 0.00 66.00 64.32 1um1 h PRO 45 Cb 1.20 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 1um1 h PRO 45 CO 0.60 0.27 0.07 0.41 -0.23 0.00 0.00 178.00 179.12 1um1 n GLY 46 N 0.93 3.78 3.31 1.56 0.00 -1.26 -4.77 105.19 108.73 1um1 n GLY 46 Ca -0.07 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 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 1.03 2.20 0.07 1.61 1.04 -1.25 -4.76 113.70 113.64 1um1 s SER 47 Ca 0.61 -1.03 -0.15 0.00 0.48 0.00 0.00 55.95 55.86 1um1 s SER 47 Cb 0.35 -0.08 -0.21 0.00 0.10 0.00 0.00 66.02 66.19 1um1 s SER 47 CO -0.13 -0.26 1.21 1.55 0.98 0.00 0.00 173.24 176.59 1um1 h PRO 48 N 2.64 0.66 -0.11 4.02 0.13 -1.86 -2.03 132.00 135.46 1um1 h PRO 48 Ca -0.37 -0.65 0.03 0.00 -0.87 0.00 0.00 66.00 64.14 1um1 h PRO 48 Cb 1.21 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1um1 h PRO 48 CO 0.63 1.25 0.34 0.00 -0.23 0.00 0.00 178.00 179.99 1um1 h ALA 49 N 0.43 1.53 0.02 -0.56 0.00 -1.86 0.53 119.26 119.35 1um1 h ALA 49 Ca -0.09 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 1um1 h ALA 49 Cb 1.51 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1um1 h ALA 49 CO 0.17 -0.39 -2.11 0.00 0.00 0.00 0.00 179.25 176.91 1um1 n ALA 50 N -2.03 1.41 -0.29 0.00 0.00 -1.14 -4.13 120.51 114.33 1um1 n ALA 50 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 53.44 52.45 1um1 n ALA 50 Cb 0.42 -0.47 0.15 0.00 0.00 0.00 0.00 19.45 19.55 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 0.75 1.15 0.51 0.00 0.00 0.76 -2.47 119.26 119.97 1um1 h ALA 51 Ca -0.44 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1um1 h ALA 51 Cb 2.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1um1 h ALA 51 CO 0.04 0.17 -0.49 0.22 0.00 0.00 0.00 179.25 179.19 1um1 h ASP 52 N 0.86 -1.35 0.00 0.00 1.82 -1.41 -3.47 116.42 112.87 1um1 h ASP 52 Ca 0.38 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1um1 h ASP 52 Cb 0.27 0.44 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1um1 h ASP 52 CO -0.21 -0.66 0.00 0.61 -1.61 0.00 0.00 179.24 177.38 1um1 n GLY 53 N -1.55 3.08 0.29 -0.78 0.00 -0.93 -4.86 105.19 100.43 1um1 n GLY 53 Ca -0.12 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 0.22 -5.89 1.61 1.12 -1.88 -3.37 114.38 106.18 1um1 h ARG 54 Ca 0.00 -0.01 -0.60 0.00 -1.11 0.00 0.00 59.98 58.26 1um1 h ARG 54 Cb 0.00 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 1um1 h ARG 54 CO 0.00 0.14 1.50 1.28 -3.11 0.00 0.00 179.97 179.78 1um1 n LEU 55 N -5.21 2.57 -4.03 3.80 4.32 -1.26 -4.92 117.00 112.26 1um1 n LEU 55 Ca 0.17 0.17 -0.17 0.00 -0.02 0.00 0.00 56.01 56.16 1um1 n LEU 55 Cb 0.56 -1.43 -0.14 0.00 -1.62 0.00 0.00 43.42 40.80 1um1 n LEU 55 CO 0.08 -0.85 -0.43 -0.44 -1.22 0.00 0.00 177.39 174.54 1um1 s SER 56 N 8.59 1.02 -0.14 -1.43 0.01 -1.26 -4.88 113.70 115.61 1um1 s SER 56 Ca 1.05 -0.26 -0.40 0.00 1.31 0.00 0.00 55.95 57.65 1um1 s SER 56 Cb -0.54 -0.08 -0.18 0.00 0.21 0.00 0.00 66.02 65.43 1um1 s SER 56 CO 0.40 0.04 1.43 0.18 0.41 0.00 0.00 173.24 175.69 1um1 n LEU 57 N 2.49 1.33 0.00 2.44 4.32 -1.26 -1.14 117.00 125.18 1um1 n LEU 57 Ca -0.16 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 1um1 n LEU 57 Cb 0.56 -1.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1um1 n LEU 57 CO 0.24 -1.07 0.00 0.61 -1.22 0.00 0.00 177.39 175.95 1um1 n GLY 58 N 2.98 1.49 3.35 -0.72 0.00 -0.37 -4.71 105.19 107.21 1um1 n GLY 58 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1um1 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1um1 n ASP 59 N 0.00 -2.24 -3.79 1.61 -0.08 -0.29 -4.71 116.55 107.05 1um1 n ASP 59 Ca 0.00 0.13 -0.28 0.00 -1.51 0.00 0.00 54.79 53.13 1um1 n ASP 59 Cb 0.00 -1.10 -0.16 0.00 2.34 0.00 0.00 41.12 42.20 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1um1 s ARG 60 N -3.55 0.92 -0.02 -0.67 3.52 -1.26 -3.29 118.95 114.61 1um1 s ARG 60 Ca 0.56 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.40 1um1 s ARG 60 Cb -0.17 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 1um1 s ARG 60 CO 0.67 -0.56 1.12 0.42 -0.81 0.00 0.00 175.30 176.14 1um1 s ILE 61 N 1.77 4.40 -0.11 4.11 -1.09 0.43 -2.93 121.20 127.78 1um1 s ILE 61 Ca -0.01 1.72 0.07 0.00 -2.23 0.00 0.00 60.65 60.20 1um1 s ILE 61 Cb -0.16 -4.10 -0.12 0.00 -1.58 0.00 0.00 42.46 36.50 1um1 s ILE 61 CO -0.07 0.07 0.00 0.18 -1.23 0.00 0.00 174.94 173.89 1um1 n LEU 62 N 4.53 0.63 -3.91 2.97 4.77 0.13 -4.28 117.00 121.85 1um1 n LEU 62 Ca 0.09 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1um1 n LEU 62 Cb 0.48 0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 1um1 n LEU 62 CO 0.54 0.35 -0.16 -1.61 -1.33 0.00 0.00 177.39 175.18 1um1 s GLU 63 N -2.25 0.76 -0.17 3.23 2.02 -1.24 -1.63 118.70 119.42 1um1 s GLU 63 Ca -0.08 -0.96 -0.05 0.00 0.02 0.00 0.00 54.97 53.90 1um1 s GLU 63 Cb 0.03 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.63 1um1 s GLU 63 CO 0.39 -0.22 0.09 0.08 0.02 0.00 0.00 175.26 175.63 1um1 s VAL 64 N -3.65 -0.10 -1.36 2.63 1.01 -0.48 -1.38 120.40 117.08 1um1 s VAL 64 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1um1 s VAL 64 Cb 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1um1 s VAL 64 CO -0.10 -0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.31 1um1 n ASN 65 N 5.28 -4.75 0.00 3.32 3.02 0.46 -1.65 115.26 120.95 1um1 n ASN 65 Ca -0.07 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1um1 n ASN 65 Cb 0.49 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 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 -1.14 1.02 3.25 7.41 0.00 -1.26 -4.94 105.19 109.53 1um1 n GLY 66 Ca -0.13 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.54 3.50 0.20 1.61 0.15 -0.66 -5.09 113.70 110.87 1um1 s SER 67 Ca 0.00 -0.50 -0.32 0.00 0.70 0.00 0.00 55.95 55.83 1um1 s SER 67 Cb 0.00 -1.52 -0.13 0.00 -1.71 0.00 0.00 66.02 62.66 1um1 s SER 67 CO 0.00 0.10 1.61 -1.54 1.20 0.00 0.00 173.24 174.61 1um1 n SER 68 N 3.95 3.47 -2.73 5.45 3.41 -1.26 -1.38 113.62 124.53 1um1 n SER 68 Ca -0.19 1.09 -0.24 0.00 -0.26 0.00 0.00 58.87 59.26 1um1 n SER 68 Cb 0.52 -1.50 -0.01 0.00 -0.26 0.00 0.00 64.21 62.95 1um1 n SER 68 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1um1 n LEU 69 N 3.33 3.98 -0.02 1.04 4.77 -0.64 -4.72 117.00 124.73 1um1 n LEU 69 Ca 0.15 -5.23 -0.02 0.00 -0.03 0.00 0.00 56.01 50.88 1um1 n LEU 69 Cb 0.32 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1um1 n LEU 69 CO 0.64 2.22 -0.13 0.18 -1.33 0.00 0.00 177.39 178.97 1um1 n LEU 70 N -0.29 0.37 -0.84 2.23 4.77 -1.26 -4.58 117.00 117.40 1um1 n LEU 70 Ca 0.32 0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.42 1um1 n LEU 70 Cb 0.57 -0.54 0.18 0.00 -2.33 0.00 0.00 43.42 41.30 1um1 n LEU 70 CO 0.32 -0.46 0.62 0.61 -1.33 0.00 0.00 177.39 177.16 1um1 n GLY 71 N 1.52 1.18 3.60 -0.72 0.00 -1.26 -4.82 105.19 104.68 1um1 n GLY 71 Ca -0.03 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.11 4.15 0.00 0.99 1.43 -1.26 -5.06 118.68 117.82 1um1 s LEU 72 Ca 0.26 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1um1 s LEU 72 Cb 0.15 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1um1 s LEU 72 CO 0.15 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1um1 n GLY 73 N 4.52 -2.70 0.04 -3.19 0.00 -1.26 -4.65 105.19 97.95 1um1 n GLY 73 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.40 -0.07 -0.87 1.61 3.20 -1.98 -2.78 116.97 114.68 1um1 h TYR 74 Ca 0.00 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.09 1um1 h TYR 74 Cb 0.00 0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.16 1um1 h TYR 74 CO 0.00 -0.04 0.23 -0.07 -1.64 0.00 0.00 178.16 176.63 1um1 h LEU 75 N -0.27 -0.00 -0.72 2.82 4.07 -1.96 1.87 115.31 121.12 1um1 h LEU 75 Ca -0.01 0.19 0.09 0.00 0.08 0.00 0.00 57.88 58.24 1um1 h LEU 75 Cb 0.06 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 1um1 h LEU 75 CO 0.01 -0.14 0.37 0.03 -1.08 0.00 0.00 178.44 177.63 1um1 h ARG 76 N 0.22 0.61 0.04 1.13 2.47 -1.91 1.49 114.38 118.42 1um1 h ARG 76 Ca 0.54 -0.04 -0.22 0.00 -1.26 0.00 0.00 59.98 59.00 1um1 h ARG 76 Cb 1.07 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 1um1 h ARG 76 CO -0.64 0.40 -1.03 0.00 0.56 0.00 0.00 179.97 179.26 1um1 h ALA 77 N 1.43 0.34 -0.20 0.04 0.00 0.78 -2.87 119.26 118.78 1um1 h ALA 77 Ca 0.35 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1um1 h ALA 77 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1um1 h ALA 77 CO -0.26 1.05 -0.00 0.28 0.00 0.00 0.00 179.25 180.32 1um1 h VAL 78 N 0.05 1.26 -0.40 0.00 2.07 0.40 -2.06 116.25 117.57 1um1 h VAL 78 Ca -0.06 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1um1 h VAL 78 Cb 1.73 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1um1 h VAL 78 CO 0.15 0.27 0.26 -0.78 0.02 0.00 0.00 177.57 177.49 1um1 h ASP 79 N 0.10 0.44 0.38 0.57 3.58 0.20 0.59 116.42 122.27 1um1 h ASP 79 Ca 0.05 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1um1 h ASP 79 Cb 0.40 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1um1 h ASP 79 CO 0.01 0.31 -0.18 -0.07 -2.88 0.00 0.00 179.24 176.43 1um1 h LEU 80 N 0.51 -0.43 -1.37 2.28 3.38 -1.23 0.16 115.31 118.61 1um1 h LEU 80 Ca 0.15 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1um1 h LEU 80 Cb -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1um1 h LEU 80 CO -0.03 -0.25 -0.30 0.40 0.09 0.00 0.00 178.44 178.35 1um1 h ILE 81 N -0.58 1.02 0.41 1.22 5.03 -0.76 -2.33 117.51 121.51 1um1 h ILE 81 Ca -0.05 -1.10 -0.02 0.00 -0.12 0.00 0.00 64.86 63.56 1um1 h ILE 81 Cb 0.43 1.63 0.00 0.00 -3.03 0.00 0.00 36.82 35.86 1um1 h ILE 81 CO 0.09 0.29 -0.20 0.03 -0.68 0.00 0.00 178.15 177.68 1um1 h ARG 82 N 0.00 -0.53 -1.25 2.37 2.47 0.70 -2.86 114.38 115.27 1um1 h ARG 82 Ca -0.00 0.04 -0.36 0.00 -1.26 0.00 0.00 59.98 58.40 1um1 h ARG 82 Cb 0.61 0.12 -0.17 0.00 -1.65 0.00 0.00 29.97 28.88 1um1 h ARG 82 CO 0.04 -0.25 0.46 0.72 0.56 0.00 0.00 179.97 181.49 1um1 n HIS 83 N -5.25 1.83 0.00 3.04 8.25 0.51 -4.87 115.22 118.74 1um1 n HIS 83 Ca -0.11 -1.82 0.00 0.00 -0.26 0.00 0.00 57.72 55.54 1um1 n HIS 83 Cb 0.28 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.50 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 -0.12 -3.05 2.48 -1.41 0.00 -0.89 -4.98 105.19 97.22 1um1 n GLY 84 Ca 0.36 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 1um1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um1 n GLY 85 N 0.37 1.46 0.34 -0.02 0.00 -1.26 -5.02 105.19 101.06 1um1 n GLY 85 Ca 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1um1 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1um1 n LYS 86 N -0.36 -0.08 -4.92 1.61 5.02 -1.26 -4.11 118.16 114.06 1um1 n LYS 86 Ca -0.05 1.46 -0.27 0.00 -2.02 0.00 0.00 58.31 57.43 1um1 n LYS 86 Cb 0.40 -2.29 -0.16 0.00 -0.02 0.00 0.00 35.03 32.96 1um1 n LYS 86 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1um1 s LYS 87 N -6.03 2.03 -0.18 1.97 -2.85 -1.26 0.21 119.74 113.64 1um1 s LYS 87 Ca -0.13 -0.67 -0.05 0.00 -1.00 0.00 0.00 55.97 54.12 1um1 s LYS 87 Cb 0.28 -1.72 -0.03 0.00 -2.06 0.00 0.00 37.83 34.30 1um1 s LYS 87 CO 0.75 0.24 0.01 -1.64 0.10 0.00 0.00 175.35 174.81 1um1 s MET 88 N 0.10 3.76 -0.11 1.78 -1.94 -0.33 -4.88 119.30 117.68 1um1 s MET 88 Ca -0.06 -0.46 -0.05 0.00 -1.71 0.00 0.00 55.69 53.41 1um1 s MET 88 Cb -0.13 -3.07 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 1um1 s MET 88 CO 0.03 0.18 0.07 0.50 -0.01 0.00 0.00 175.02 175.79 1um1 s ARG 89 N 0.57 3.29 -0.01 2.03 3.52 -1.26 -2.08 118.95 125.00 1um1 s ARG 89 Ca -0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1um1 s ARG 89 Cb -0.14 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1um1 s ARG 89 CO 0.02 0.69 -0.01 -0.06 -0.81 0.00 0.00 175.30 175.13 1um1 s PHE 90 N -0.81 0.15 -0.89 5.12 0.08 -0.21 0.17 117.98 121.59 1um1 s PHE 90 Ca 0.13 -0.00 -0.15 0.00 0.12 0.00 0.00 56.93 57.02 1um1 s PHE 90 Cb -0.12 -0.15 0.19 0.00 -0.57 0.00 0.00 43.02 42.37 1um1 s PHE 90 CO 0.03 -0.03 0.93 -1.17 -0.10 0.00 0.00 175.22 174.88 1um1 s LEU 91 N 0.25 6.10 0.39 -0.37 2.96 -0.48 0.82 118.68 128.35 1um1 s LEU 91 Ca -0.02 -2.53 -0.06 0.00 -0.22 0.00 0.00 54.13 51.29 1um1 s LEU 91 Cb -0.04 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1um1 s LEU 91 CO -0.01 -0.73 0.69 -0.69 -1.32 0.00 0.00 176.35 174.30 1um1 s VAL 92 N 0.99 4.92 0.35 1.68 1.01 0.51 0.17 120.40 130.03 1um1 s VAL 92 Ca 0.25 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1um1 s VAL 92 Cb -0.08 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1um1 s VAL 92 CO -0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 175.10 174.40 1um1 s ALA 93 N -2.41 2.80 -0.85 5.51 0.00 -1.15 0.65 121.76 126.31 1um1 s ALA 93 Ca 0.47 -2.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.06 1um1 s ALA 93 Cb -0.10 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1um1 s ALA 93 CO 0.36 -0.07 1.44 0.21 0.00 0.00 0.00 175.76 177.70 1um1 s LYS 94 N -3.71 3.26 0.72 0.00 2.36 -1.12 -4.46 119.74 116.78 1um1 s LYS 94 Ca 0.33 -0.52 -0.10 0.00 -2.55 0.00 0.00 55.97 53.14 1um1 s LYS 94 Cb 0.06 -4.72 0.05 0.00 -1.05 0.00 0.00 37.83 32.17 1um1 s LYS 94 CO 0.16 -2.31 1.08 -1.12 1.55 0.00 0.00 175.35 174.71 1um1 s SER 95 N 4.88 5.02 0.38 1.43 0.01 -1.26 -4.89 113.70 119.27 1um1 s SER 95 Ca 0.44 0.80 0.08 0.00 1.31 0.00 0.00 55.95 58.58 1um1 s SER 95 Cb -0.05 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.66 1um1 s SER 95 CO 0.05 -1.54 0.32 -1.81 0.41 0.00 0.00 173.24 170.67 1um1 s ASP 96 N -4.46 5.10 0.08 2.44 1.01 -1.26 -5.04 116.67 114.54 1um1 s ASP 96 Ca 0.59 -0.66 -0.25 0.00 0.71 0.00 0.00 52.55 52.94 1um1 s ASP 96 Cb -0.11 -0.74 -0.16 0.00 1.01 0.00 0.00 42.92 42.93 1um1 s ASP 96 CO 0.48 -0.51 1.68 -0.37 0.21 0.00 0.00 175.17 176.66 1um1 h VAL 97 N 1.16 0.90 -0.75 -1.27 -1.51 -1.98 -2.70 116.25 110.10 1um1 h VAL 97 Ca -0.43 -0.09 0.16 0.00 -1.23 0.00 0.00 66.70 65.11 1um1 h VAL 97 Cb 1.26 0.95 -0.14 0.00 -2.13 0.00 0.00 31.29 31.23 1um1 h VAL 97 CO 0.59 0.02 -0.16 -0.33 -1.23 0.00 0.00 177.57 176.46 1um1 h GLU 98 N -0.21 0.01 -0.81 5.19 3.07 -1.99 0.57 114.58 120.41 1um1 h GLU 98 Ca -0.02 -0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.01 1um1 h GLU 98 Cb 0.17 -0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.97 1um1 h GLU 98 CO 0.03 0.01 0.33 1.15 -1.40 0.00 0.00 179.01 179.13 1um1 h THR 99 N 0.01 0.58 -0.38 1.13 2.02 -1.87 0.15 112.91 114.55 1um1 h THR 99 Ca 0.37 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 1um1 h THR 99 Cb 0.58 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1um1 h THR 99 CO -0.76 0.08 0.06 0.00 0.37 0.00 0.00 175.52 175.27 1um1 h ALA 100 N 1.62 0.51 -0.48 6.16 0.00 0.20 -2.26 119.26 125.01 1um1 h ALA 100 Ca 0.47 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1um1 h ALA 100 Cb 0.79 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1um1 h ALA 100 CO -0.46 0.22 -0.37 0.87 0.00 0.00 0.00 179.25 179.51 1um1 h LYS 101 N 0.48 -0.23 -0.95 0.00 1.57 0.13 0.87 116.57 118.44 1um1 h LYS 101 Ca 0.12 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1um1 h LYS 101 Cb 0.37 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1um1 h LYS 101 CO 0.01 -0.15 0.62 0.87 -0.57 0.00 0.00 179.45 180.22 1um1 h LYS 102 N -0.24 1.02 -0.53 3.15 1.57 -1.17 0.11 116.57 120.48 1um1 h LYS 102 Ca 0.18 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1um1 h LYS 102 Cb 0.56 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1um1 h LYS 102 CO -0.61 0.67 0.15 0.82 -0.57 0.00 0.00 179.45 179.91 1um1 h ILE 103 N 1.05 1.22 -2.06 1.86 1.08 0.64 -1.52 117.51 119.78 1um1 h ILE 103 Ca 0.43 -0.76 -0.20 0.00 -0.39 0.00 0.00 64.86 63.94 1um1 h ILE 103 Cb 0.27 0.65 -0.31 0.00 -3.07 0.00 0.00 36.82 34.36 1um1 h ILE 103 CO -0.18 0.28 -0.52 -1.38 -0.69 0.00 0.00 178.15 175.66 1um1 s HIS 104 N -5.24 -0.68 -0.08 1.37 -3.43 0.25 -4.74 115.29 102.74 1um1 s HIS 104 Ca -0.10 0.65 -0.07 0.00 -0.80 0.00 0.00 55.06 54.74 1um1 s HIS 104 Cb 0.16 -0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 1um1 s HIS 104 CO 0.79 -0.70 -0.14 0.43 -2.00 0.00 0.00 174.74 173.13 1um1 n SER 105 N 5.35 0.90 0.00 7.38 7.64 -0.67 -4.24 113.62 129.98 1um1 n SER 105 Ca -0.04 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1um1 n SER 105 Cb 0.50 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1um1 n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 106 N 1.55 -0.57 3.82 0.23 0.00 -1.26 -4.98 105.19 103.98 1um1 n GLY 106 Ca -0.06 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.10 3.08 0.26 1.61 0.04 -1.26 -4.87 135.00 131.76 1um1 s PRO 107 Ca 0.00 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1um1 s PRO 107 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1um1 s PRO 107 CO 0.00 -0.99 0.00 0.45 0.04 0.00 0.00 177.00 176.50 1um1 n SER 108 N -2.79 -3.82 -4.79 6.66 2.88 -1.26 -4.91 113.62 105.58 1um1 n SER 108 Ca 0.08 0.81 -0.36 0.00 -1.33 0.00 0.00 58.87 58.07 1um1 n SER 108 Cb 0.53 -1.70 -0.06 0.00 -0.75 0.00 0.00 64.21 62.24 1um1 n SER 108 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1um1 s SER 109 N -3.94 7.09 0.00 -3.46 0.15 -1.26 -5.14 113.70 107.14 1um1 s SER 109 Ca 0.00 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1um1 s SER 109 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1um1 s SER 109 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80