#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djs s SER 2 N 0.00 4.43 -0.93 1.61 0.01 -1.26 -5.05 113.70 112.51 2djs s SER 2 Ca 0.00 -1.31 -0.24 0.00 1.31 0.00 0.00 55.95 55.71 2djs s SER 2 Cb 0.00 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 2djs s SER 2 CO 0.00 -0.19 1.75 -0.55 0.41 0.00 0.00 173.24 174.67 2djs s SER 3 N 1.15 5.65 0.17 2.44 0.15 -1.26 -4.74 113.70 117.26 2djs s SER 3 Ca -0.07 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2djs s SER 3 Cb -0.19 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2djs s SER 3 CO -0.05 -2.27 0.00 0.61 1.20 0.00 0.00 173.24 172.73 2djs n GLY 4 N 6.78 -3.14 3.17 9.45 0.00 -1.26 -4.91 105.19 115.29 2djs n GLY 4 Ca 0.36 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2djs n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djs n SER 5 N -1.88 -4.33 -3.93 1.61 2.88 -1.26 -4.98 113.62 101.73 2djs n SER 5 Ca -0.00 0.44 -0.24 0.00 -1.33 0.00 0.00 58.87 57.74 2djs n SER 5 Cb 0.14 -0.86 -0.17 0.00 -0.75 0.00 0.00 64.21 62.57 2djs n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2djs s SER 6 N -1.08 1.68 0.33 -3.46 1.04 -1.26 -5.09 113.70 105.87 2djs s SER 6 Ca 0.51 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2djs s SER 6 Cb -0.34 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.07 2djs s SER 6 CO 0.72 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.50 2djs n GLY 7 N 4.35 -1.79 3.77 7.32 0.00 -1.26 -4.69 105.19 112.88 2djs n GLY 7 Ca -0.19 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 2djs n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djs s PRO 8 N -0.68 2.76 1.08 1.61 0.04 -1.26 -4.93 135.00 133.62 2djs s PRO 8 Ca 0.00 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 2djs s PRO 8 Cb 0.00 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.75 2djs s PRO 8 CO 0.00 -1.28 0.21 0.45 0.04 0.00 0.00 177.00 176.42 2djs n SER 9 N -2.50 -2.89 -3.88 6.66 2.88 -0.46 -4.37 113.62 109.07 2djs n SER 9 Ca 0.10 -0.33 -0.11 0.00 -1.33 0.00 0.00 58.87 57.20 2djs n SER 9 Cb 0.52 -0.83 -0.11 0.00 -0.75 0.00 0.00 64.21 63.04 2djs n SER 9 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2djs s THR 10 N -2.12 0.07 0.29 2.46 -1.32 -1.26 -4.46 115.64 109.30 2djs s THR 10 Ca 0.44 -0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 60.06 2djs s THR 10 Cb -0.08 -0.36 -0.10 0.00 -1.51 0.00 0.00 72.50 70.45 2djs s THR 10 CO 0.46 -0.31 1.43 -0.69 -2.21 0.00 0.00 174.62 173.30 2djs s VAL 11 N -1.07 2.53 0.01 5.08 1.01 -1.26 -4.95 120.40 121.74 2djs s VAL 11 Ca -0.12 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 2djs s VAL 11 Cb -0.06 -3.30 -0.17 0.00 0.00 0.00 0.00 36.38 32.84 2djs s VAL 11 CO 0.01 0.09 1.30 1.55 0.00 0.00 0.00 175.10 178.06 2djs h PRO 12 N 4.27 0.17 -4.18 2.72 0.13 -2.00 -3.38 132.00 129.73 2djs h PRO 12 Ca -0.48 -0.09 -0.15 0.00 -0.87 0.00 0.00 66.00 64.41 2djs h PRO 12 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2djs h PRO 12 CO 0.73 0.61 -0.48 -1.50 -0.23 0.00 0.00 178.00 177.12 2djs s ILE 13 N -4.28 0.07 0.02 -3.56 2.07 -1.26 -4.21 121.20 110.05 2djs s ILE 13 Ca -0.15 -1.68 0.08 0.00 -1.41 0.00 0.00 60.65 57.49 2djs s ILE 13 Cb 0.03 -2.02 -0.03 0.00 0.13 0.00 0.00 42.46 40.58 2djs s ILE 13 CO 0.71 -0.32 -0.22 -0.04 -1.91 0.00 0.00 174.94 173.15 2djs s MET 14 N -4.03 2.01 -0.07 3.50 -1.94 -1.26 -4.51 119.30 113.00 2djs s MET 14 Ca 0.23 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 53.26 2djs s MET 14 Cb 0.05 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.79 2djs s MET 14 CO 0.02 0.54 -0.23 -1.01 -0.01 0.00 0.00 175.02 174.33 2djs s HIS 15 N -0.80 2.33 -0.04 -0.03 0.09 0.95 -4.99 115.29 112.79 2djs s HIS 15 Ca 0.12 -0.76 -0.15 0.00 -0.00 0.00 0.00 55.06 54.27 2djs s HIS 15 Cb -0.10 -1.54 -0.05 0.00 -0.00 0.00 0.00 32.58 30.88 2djs s HIS 15 CO 0.02 -0.26 0.39 -1.14 -0.00 0.00 0.00 174.74 173.75 2djs s GLN 16 N 0.02 3.99 -0.26 1.40 0.74 -1.26 0.58 119.66 124.86 2djs s GLN 16 Ca -0.08 0.35 -0.03 0.00 0.05 0.00 0.00 55.36 55.66 2djs s GLN 16 Cb -0.15 -3.27 -0.15 0.00 1.10 0.00 0.00 33.01 30.54 2djs s GLN 16 CO 0.05 0.57 -0.26 0.28 -0.55 0.00 0.00 175.29 175.37 2djs n VAL 17 N 2.29 1.48 -3.69 1.34 0.31 -1.18 -4.91 118.33 113.95 2djs n VAL 17 Ca -0.13 -0.51 -0.05 0.00 -0.01 0.00 0.00 64.34 63.65 2djs n VAL 17 Cb 0.52 -1.55 0.02 0.00 -0.91 0.00 0.00 33.84 31.93 2djs n VAL 17 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2djs n SER 18 N -3.54 -1.57 -3.56 4.52 2.88 -1.20 -5.06 113.62 106.08 2djs n SER 18 Ca -0.48 -1.98 -0.07 0.00 -1.33 0.00 0.00 58.87 55.01 2djs n SER 18 Cb 0.95 2.59 -0.03 0.00 -0.75 0.00 0.00 64.21 66.98 2djs n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djs s ALA 19 N -1.82 -1.95 0.28 -1.46 0.00 -1.26 0.08 121.76 115.62 2djs s ALA 19 Ca 0.15 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2djs s ALA 19 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2djs s ALA 19 CO 0.07 -0.57 0.02 0.25 0.00 0.00 0.00 175.76 175.53 2djs n THR 20 N 0.00 0.00 0.20 0.00 -2.24 0.16 -4.88 114.28 107.53 2djs n THR 20 Ca -0.05 -1.28 0.11 0.00 -2.27 0.00 0.00 64.05 60.56 2djs n THR 20 Cb 0.60 0.21 0.14 0.00 -2.10 0.00 0.00 70.33 69.18 2djs n THR 20 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2djs h MET 21 N 0.00 0.00 0.00 -0.78 2.86 -1.95 -3.08 114.93 111.98 2djs h MET 21 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2djs h MET 21 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2djs h MET 21 CO 0.37 0.06 -0.04 0.54 1.06 0.00 0.00 176.91 178.90 2djs n ARG 22 N -3.10 1.81 -3.80 1.72 1.74 -1.26 -2.40 116.66 111.37 2djs n ARG 22 Ca 0.03 -1.47 -0.09 0.00 -0.77 0.00 0.00 57.85 55.56 2djs n ARG 22 Cb 0.56 -0.96 0.03 0.00 -1.02 0.00 0.00 32.46 31.07 2djs n ARG 22 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2djs s SER 23 N -1.16 0.03 -0.05 0.55 0.01 -1.24 -2.12 113.70 109.72 2djs s SER 23 Ca 0.06 -1.20 -0.20 0.00 1.31 0.00 0.00 55.95 55.92 2djs s SER 23 Cb 0.06 0.87 0.04 0.00 0.21 0.00 0.00 66.02 67.19 2djs s SER 23 CO 0.01 -1.73 0.44 -0.63 0.41 0.00 0.00 173.24 171.74 2djs s ILE 24 N -2.14 0.03 -0.08 1.44 1.01 -0.06 -0.67 121.20 120.73 2djs s ILE 24 Ca 0.16 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.60 2djs s ILE 24 Cb -0.05 -0.73 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 2djs s ILE 24 CO 0.12 -0.14 -0.23 -0.89 0.00 0.00 0.00 174.94 173.79 2djs s THR 25 N -1.02 1.99 0.36 2.92 2.01 0.11 -0.75 115.64 121.26 2djs s THR 25 Ca -0.11 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 60.94 2djs s THR 25 Cb -0.03 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2djs s THR 25 CO 0.05 0.55 0.13 -0.76 -0.69 0.00 0.00 174.62 173.90 2djs s LEU 26 N 0.19 1.91 -0.28 4.42 1.43 -1.18 -3.10 118.68 122.08 2djs s LEU 26 Ca -0.14 -1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 51.15 2djs s LEU 26 Cb -0.16 -0.03 0.10 0.00 0.03 0.00 0.00 46.19 46.12 2djs s LEU 26 CO 0.07 -0.87 0.84 -0.55 0.23 0.00 0.00 176.35 176.07 2djs s SER 27 N -3.50 -0.67 0.02 2.29 0.15 0.20 -3.78 113.70 108.40 2djs s SER 27 Ca 0.30 1.22 0.04 0.00 0.70 0.00 0.00 55.95 58.21 2djs s SER 27 Cb 0.04 1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 65.58 2djs s SER 27 CO 0.16 -0.21 -0.12 -1.66 1.20 0.00 0.00 173.24 172.62 2djs s TRP 28 N 0.65 1.03 0.44 3.44 -2.14 -0.94 -0.03 118.94 121.38 2djs s TRP 28 Ca -0.02 -0.29 -0.23 0.00 2.66 0.00 0.00 56.10 58.22 2djs s TRP 28 Cb -0.05 -0.63 -0.08 0.00 -3.10 0.00 0.00 33.47 29.61 2djs s TRP 28 CO -0.06 0.00 1.17 -1.25 -2.66 0.00 0.00 176.95 174.15 2djs s PRO 29 N -0.80 3.83 0.16 3.25 0.04 -1.26 -4.78 135.00 135.43 2djs s PRO 29 Ca 0.01 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2djs s PRO 29 Cb -0.06 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 2djs s PRO 29 CO 0.00 -0.50 1.14 -1.14 0.04 0.00 0.00 177.00 176.54 2djs s GLN 30 N -2.60 4.54 1.13 4.56 0.74 -1.26 -4.80 119.66 121.97 2djs s GLN 30 Ca 0.62 1.76 -0.17 0.00 0.05 0.00 0.00 55.36 57.62 2djs s GLN 30 Cb -0.29 -3.28 0.25 0.00 1.10 0.00 0.00 33.01 30.79 2djs s GLN 30 CO 0.36 -0.02 1.10 -1.25 -0.55 0.00 0.00 175.29 174.93 2djs s PRO 31 N -0.07 -0.65 0.00 1.67 0.04 -1.26 -5.01 135.00 129.72 2djs s PRO 31 Ca 0.52 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2djs s PRO 31 Cb -0.30 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2djs s PRO 31 CO 0.34 -3.37 0.00 -0.85 0.04 0.00 0.00 177.00 173.16 2djs n GLU 32 N -4.56 4.35 -2.32 4.56 0.28 -1.26 -4.77 120.64 116.91 2djs n GLU 32 Ca 0.10 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.83 2djs n GLU 32 Cb 0.59 -0.48 0.01 0.00 1.43 0.00 0.00 31.44 32.99 2djs n GLU 32 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2djs n GLN 33 N -0.81 3.41 0.00 3.44 6.02 -1.26 -4.78 117.38 123.39 2djs n GLN 33 Ca 0.00 -4.35 0.07 0.00 -0.01 0.00 0.00 57.00 52.71 2djs n GLN 33 Cb 0.00 -2.26 0.33 0.00 1.02 0.00 0.00 30.24 29.34 2djs n GLN 33 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2djs n PRO 34 N -0.54 0.10 -3.56 -1.09 -0.04 -1.26 -1.35 135.00 127.26 2djs n PRO 34 Ca 0.42 0.20 -0.26 0.00 -0.04 0.00 0.00 63.50 63.82 2djs n PRO 34 Cb 0.69 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.70 2djs n PRO 34 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2djs n ASN 35 N -1.40 -5.53 0.00 3.54 5.03 -1.26 -4.28 115.26 111.36 2djs n ASN 35 Ca 0.05 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.95 2djs n ASN 35 Cb 0.14 -4.41 0.00 0.00 -1.02 0.00 0.00 39.78 34.49 2djs n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2djs n GLY 36 N -1.71 0.51 3.70 7.41 0.00 -1.26 -4.93 105.19 108.91 2djs n GLY 36 Ca -0.01 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 2djs n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2djs s ILE 37 N -4.00 4.96 -0.61 -0.61 1.09 -1.26 -5.06 121.20 115.71 2djs s ILE 37 Ca 0.00 0.02 -0.22 0.00 -1.10 0.00 0.00 60.65 59.35 2djs s ILE 37 Cb 0.00 -3.21 0.06 0.00 -1.06 0.00 0.00 42.46 38.26 2djs s ILE 37 CO 0.00 0.50 0.90 -0.63 -0.10 0.00 0.00 174.94 175.61 2djs s ILE 38 N -0.04 4.45 0.07 2.92 1.01 -1.26 -4.15 121.20 124.20 2djs s ILE 38 Ca 0.07 -0.28 -0.35 0.00 0.00 0.00 0.00 60.65 60.09 2djs s ILE 38 Cb -0.12 -4.59 -0.18 0.00 0.01 0.00 0.00 42.46 37.58 2djs s ILE 38 CO 0.01 -1.27 1.54 -0.07 0.00 0.00 0.00 174.94 175.15 2djs h LEU 39 N 10.95 -1.23 -8.12 2.97 3.38 -1.90 -3.48 115.31 117.88 2djs h LEU 39 Ca -0.28 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2djs h LEU 39 Cb 1.08 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 2djs h LEU 39 CO 1.13 -0.72 0.16 1.51 0.09 0.00 0.00 178.44 180.60 2djs s ASP 40 N -4.09 0.19 -0.15 -0.43 1.47 -1.26 -4.86 116.67 107.54 2djs s ASP 40 Ca -0.18 -1.17 0.01 0.00 1.18 0.00 0.00 52.55 52.38 2djs s ASP 40 Cb 0.03 0.79 0.02 0.00 -0.34 0.00 0.00 42.92 43.42 2djs s ASP 40 CO 0.57 -1.56 -0.15 -0.31 0.68 0.00 0.00 175.17 174.40 2djs s TYR 41 N -2.65 2.23 -0.11 2.11 1.51 -0.22 -3.34 117.35 116.89 2djs s TYR 41 Ca 0.19 -1.24 -0.17 0.00 -1.01 0.00 0.00 57.07 54.83 2djs s TYR 41 Cb -0.04 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 2djs s TYR 41 CO 0.13 -0.66 0.43 -1.21 -1.11 0.00 0.00 175.55 173.13 2djs s GLU 42 N 1.39 4.26 -0.11 -0.62 2.02 -1.22 -1.47 118.70 122.96 2djs s GLU 42 Ca 0.03 0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.43 2djs s GLU 42 Cb -0.13 -3.40 -0.00 0.00 0.10 0.00 0.00 34.13 30.70 2djs s GLU 42 CO -0.10 0.26 -0.21 0.42 0.02 0.00 0.00 175.26 175.65 2djs s ILE 43 N 0.31 2.32 -0.15 -1.63 1.09 -0.06 -2.58 121.20 120.50 2djs s ILE 43 Ca 0.24 -0.92 -0.01 0.00 -1.10 0.00 0.00 60.65 58.86 2djs s ILE 43 Cb -0.15 -1.91 -0.01 0.00 -1.06 0.00 0.00 42.46 39.33 2djs s ILE 43 CO 0.10 0.55 -0.12 -0.60 -0.10 0.00 0.00 174.94 174.77 2djs s ARG 44 N 0.40 3.34 -0.08 2.79 3.52 -0.62 -0.25 118.95 128.06 2djs s ARG 44 Ca -0.16 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 2djs s ARG 44 Cb -0.17 -2.71 0.01 0.00 -1.56 0.00 0.00 34.95 30.52 2djs s ARG 44 CO 0.07 0.08 -0.13 1.52 -0.81 0.00 0.00 175.30 176.03 2djs s TYR 45 N 0.69 1.59 0.05 5.12 1.13 -0.88 -1.77 117.35 123.28 2djs s TYR 45 Ca -0.06 -0.63 0.02 0.00 -1.41 0.00 0.00 57.07 55.00 2djs s TYR 45 Cb -0.15 -1.16 -0.03 0.00 -1.10 0.00 0.00 41.96 39.52 2djs s TYR 45 CO 0.02 -0.32 -0.08 1.52 -2.51 0.00 0.00 175.55 174.18 2djs s TYR 46 N 0.73 0.69 0.27 -3.49 -0.85 -1.20 -2.64 117.35 110.86 2djs s TYR 46 Ca -0.13 -0.56 -0.30 0.00 -0.52 0.00 0.00 57.07 55.56 2djs s TYR 46 Cb -0.16 -0.41 -0.11 0.00 0.38 0.00 0.00 41.96 41.66 2djs s TYR 46 CO 0.03 -0.10 1.60 -1.21 -1.52 0.00 0.00 175.55 174.35 2djs s GLU 47 N -1.88 4.14 0.47 -3.49 2.02 -1.26 -2.43 118.70 116.28 2djs s GLU 47 Ca -0.07 2.54 0.36 0.00 0.02 0.00 0.00 54.97 57.82 2djs s GLU 47 Cb -0.08 -3.05 1.53 0.00 0.10 0.00 0.00 34.13 32.63 2djs s GLU 47 CO -0.00 -0.63 1.61 -0.22 0.02 0.00 0.00 175.26 176.04 2djs h LYS 48 N 5.24 0.04 0.07 1.61 3.64 -1.91 1.70 116.57 126.96 2djs h LYS 48 Ca -0.46 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.66 2djs h LYS 48 Cb 1.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2djs h LYS 48 CO 0.82 0.03 -1.27 0.93 -2.27 0.00 0.00 179.45 177.69 2djs h GLU 49 N 0.04 0.14 -7.74 1.90 5.08 -1.88 -3.46 114.58 108.66 2djs h GLU 49 Ca 0.85 -0.24 -0.46 0.00 -1.00 0.00 0.00 59.36 58.52 2djs h GLU 49 Cb 2.92 0.09 0.14 0.00 0.50 0.00 0.00 28.75 32.40 2djs h GLU 49 CO -0.31 1.04 0.42 -1.01 -1.00 0.00 0.00 179.01 178.15 2djs s HIS 50 N -2.66 2.16 0.26 4.33 3.76 0.58 -5.11 115.29 118.61 2djs s HIS 50 Ca -0.03 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.38 2djs s HIS 50 Cb 0.08 -3.86 -0.00 0.00 1.11 0.00 0.00 32.58 29.91 2djs s HIS 50 CO 0.85 -2.29 0.02 0.09 -0.85 0.00 0.00 174.74 172.56 2djs n ASN 51 N -3.59 2.27 -0.23 1.40 3.02 -1.26 -4.60 115.26 112.27 2djs n ASN 51 Ca 0.12 -2.18 0.09 0.00 -0.03 0.00 0.00 54.58 52.58 2djs n ASN 51 Cb 0.60 0.29 0.36 0.00 -0.61 0.00 0.00 39.78 40.42 2djs n ASN 51 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2djs h GLU 52 N 0.00 0.73 -0.02 3.52 5.08 -1.98 -2.91 114.58 118.99 2djs h GLU 52 Ca -0.21 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2djs h GLU 52 Cb 0.67 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2djs h GLU 52 CO 0.34 0.48 -0.27 0.74 -1.00 0.00 0.00 179.01 179.30 2djs h PHE 53 N 0.75 -0.81 -1.20 4.33 0.04 -2.03 -2.96 116.94 115.06 2djs h PHE 53 Ca 0.38 0.03 -0.75 0.00 2.80 0.00 0.00 57.97 60.43 2djs h PHE 53 Cb 0.47 0.36 -0.13 0.00 2.20 0.00 0.00 35.95 38.84 2djs h PHE 53 CO -0.00 -0.29 2.25 0.09 -0.60 0.00 0.00 178.31 179.76 2djs n ASN 54 N -4.01 5.87 -4.26 2.17 3.02 -1.10 -4.92 115.26 112.04 2djs n ASN 54 Ca -0.04 -3.09 -0.25 0.00 -0.03 0.00 0.00 54.58 51.17 2djs n ASN 54 Cb 0.20 -1.46 -0.09 0.00 -0.61 0.00 0.00 39.78 37.82 2djs n ASN 54 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2djs s SER 55 N 0.89 2.84 -0.07 6.41 0.15 -1.12 -4.59 113.70 118.21 2djs s SER 55 Ca 0.44 -1.61 0.01 0.00 0.70 0.00 0.00 55.95 55.50 2djs s SER 55 Cb 0.12 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 2djs s SER 55 CO -0.03 -0.85 -0.07 -0.44 1.20 0.00 0.00 173.24 173.05 2djs s SER 56 N -3.61 1.49 -0.04 5.45 0.01 -1.08 -5.00 113.70 110.92 2djs s SER 56 Ca 0.25 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 2djs s SER 56 Cb 0.04 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 2djs s SER 56 CO 0.14 -0.05 0.13 -0.04 0.41 0.00 0.00 173.24 173.83 2djs s MET 57 N 1.05 3.29 -0.04 12.44 -1.94 -1.26 -2.08 119.30 130.76 2djs s MET 57 Ca -0.08 -0.34 0.02 0.00 -1.71 0.00 0.00 55.69 53.58 2djs s MET 57 Cb -0.14 -3.02 0.02 0.00 2.01 0.00 0.00 34.83 33.69 2djs s MET 57 CO -0.00 0.69 -0.07 0.00 -0.01 0.00 0.00 175.02 175.63 2djs s ALA 58 N -1.19 0.81 0.12 3.03 0.00 0.66 -4.94 121.76 120.25 2djs s ALA 58 Ca 0.22 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 2djs s ALA 58 Cb -0.12 -0.42 -0.07 0.00 0.00 0.00 0.00 23.12 22.51 2djs s ALA 58 CO 0.13 0.05 0.61 1.03 0.00 0.00 0.00 175.76 177.58 2djs s ARG 59 N 0.70 4.22 -0.04 0.00 0.52 -1.26 -0.88 118.95 122.21 2djs s ARG 59 Ca -0.11 0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 2djs s ARG 59 Cb -0.14 -3.14 0.03 0.00 0.52 0.00 0.00 34.95 32.22 2djs s ARG 59 CO 0.01 0.57 -0.01 0.45 0.02 0.00 0.00 175.30 176.33 2djs s SER 60 N -1.30 0.74 0.00 0.23 0.15 -0.54 -4.98 113.70 108.00 2djs s SER 60 Ca 0.33 -0.07 0.30 0.00 0.70 0.00 0.00 55.95 57.22 2djs s SER 60 Cb -0.19 -0.32 1.57 0.00 -1.71 0.00 0.00 66.02 65.37 2djs s SER 60 CO 0.20 -0.10 2.08 0.00 1.20 0.00 0.00 173.24 176.62 2djs n GLN 61 N 4.22 0.49 -4.49 5.44 3.00 -1.26 -1.06 117.38 123.72 2djs n GLN 61 Ca -0.24 -0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.51 2djs n GLN 61 Cb 0.50 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.15 2djs n GLN 61 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2djs s THR 62 N -2.51 0.80 -0.64 5.09 -1.32 -1.26 -4.92 115.64 110.88 2djs s THR 62 Ca 0.31 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.81 2djs s THR 62 Cb 0.20 -2.50 0.16 0.00 -1.51 0.00 0.00 72.50 68.86 2djs s THR 62 CO 0.45 0.00 0.87 0.59 -2.21 0.00 0.00 174.62 174.33 2djs n ASN 63 N -1.06 2.29 -3.71 8.08 4.13 -1.26 -4.69 115.26 119.04 2djs n ASN 63 Ca -0.05 -2.23 -0.14 0.00 1.68 0.00 0.00 54.58 53.85 2djs n ASN 63 Cb 0.66 -0.55 -0.14 0.00 -1.54 0.00 0.00 39.78 38.21 2djs n ASN 63 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2djs s THR 64 N -1.16 -0.15 -0.00 3.41 -1.32 -1.26 -2.22 115.64 112.93 2djs s THR 64 Ca 0.11 0.21 -0.05 0.00 -1.21 0.00 0.00 61.69 60.75 2djs s THR 64 Cb 0.09 -0.35 -0.00 0.00 -1.51 0.00 0.00 72.50 70.73 2djs s THR 64 CO 0.03 0.09 0.10 0.00 -2.21 0.00 0.00 174.62 172.63 2djs s ALA 65 N 1.64 -0.23 -0.11 11.08 0.00 -1.25 -4.90 121.76 127.99 2djs s ALA 65 Ca -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2djs s ALA 65 Cb -0.11 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2djs s ALA 65 CO -0.08 -0.17 -0.15 0.50 0.00 0.00 0.00 175.76 175.86 2djs s ARG 66 N -1.13 3.18 -0.21 0.00 3.52 -1.26 -3.08 118.95 119.96 2djs s ARG 66 Ca -0.12 -0.72 -0.17 0.00 -0.13 0.00 0.00 55.73 54.59 2djs s ARG 66 Cb -0.07 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 2djs s ARG 66 CO 0.01 0.28 0.45 0.42 -0.81 0.00 0.00 175.30 175.65 2djs s ILE 67 N 0.16 5.15 0.09 4.11 -1.09 0.07 -4.92 121.20 124.76 2djs s ILE 67 Ca -0.08 0.81 0.09 0.00 -2.23 0.00 0.00 60.65 59.24 2djs s ILE 67 Cb -0.15 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 2djs s ILE 67 CO 0.05 0.20 -0.23 1.51 -1.23 0.00 0.00 174.94 175.24 2djs s ASP 68 N 1.18 3.53 0.00 3.58 1.47 -1.26 -0.88 116.67 124.29 2djs s ASP 68 Ca 0.21 -0.60 0.00 0.00 1.18 0.00 0.00 52.55 53.34 2djs s ASP 68 Cb -0.15 -0.40 0.00 0.00 -0.34 0.00 0.00 42.92 42.03 2djs s ASP 68 CO 0.09 0.21 0.00 0.61 0.68 0.00 0.00 175.17 176.76 2djs n GLY 69 N 1.22 1.07 3.56 2.12 0.00 -0.90 -5.02 105.19 107.24 2djs n GLY 69 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2djs n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2djs s LEU 70 N 0.00 2.72 0.13 0.99 1.43 -0.90 -5.04 118.68 118.01 2djs s LEU 70 Ca 0.00 -1.31 0.03 0.00 -1.03 0.00 0.00 54.13 51.83 2djs s LEU 70 Cb 0.00 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2djs s LEU 70 CO 0.00 -0.39 0.19 -0.13 0.23 0.00 0.00 176.35 176.25 2djs s ARG 71 N -3.70 3.16 0.13 1.70 1.81 -1.26 -4.36 118.95 116.42 2djs s ARG 71 Ca 0.34 -0.69 -0.31 0.00 -1.72 0.00 0.00 55.73 53.35 2djs s ARG 71 Cb 0.07 -2.82 -0.08 0.00 -0.45 0.00 0.00 34.95 31.67 2djs s ARG 71 CO 0.17 0.52 1.35 -1.25 -0.68 0.00 0.00 175.30 175.41 2djs s PRO 72 N -2.98 4.35 -0.22 3.54 0.04 -1.01 -3.68 135.00 135.03 2djs s PRO 72 Ca 0.32 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.40 2djs s PRO 72 Cb -0.11 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2djs s PRO 72 CO 0.26 -0.38 0.18 0.41 0.04 0.00 0.00 177.00 177.51 2djs n GLY 73 N 3.21 0.32 3.10 0.56 0.00 -1.25 -4.94 105.19 106.19 2djs n GLY 73 Ca 0.10 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 2djs n GLY 73 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2djs s MET 74 N -4.14 0.38 -0.13 1.61 -1.94 -1.24 -4.97 119.30 108.87 2djs s MET 74 Ca 0.01 -0.07 -0.09 0.00 -1.71 0.00 0.00 55.69 53.83 2djs s MET 74 Cb -0.00 0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.96 2djs s MET 74 CO 0.13 -0.08 0.17 0.08 -0.01 0.00 0.00 175.02 175.31 2djs s VAL 75 N -0.69 5.44 -0.04 -6.03 1.01 -1.26 -2.44 120.40 116.39 2djs s VAL 75 Ca -0.08 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2djs s VAL 75 Cb -0.05 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2djs s VAL 75 CO 0.01 0.57 -0.06 -0.31 0.00 0.00 0.00 175.10 175.31 2djs s TYR 76 N -0.67 0.83 -0.68 5.22 1.51 -1.09 -2.92 117.35 119.54 2djs s TYR 76 Ca 0.14 -0.24 -0.24 0.00 -1.01 0.00 0.00 57.07 55.72 2djs s TYR 76 Cb -0.12 -0.70 0.05 0.00 -0.11 0.00 0.00 41.96 41.08 2djs s TYR 76 CO 0.03 -0.19 1.08 0.08 -1.11 0.00 0.00 175.55 175.45 2djs s VAL 77 N 0.81 4.10 -0.18 0.71 1.01 -1.02 -2.91 120.40 122.92 2djs s VAL 77 Ca -0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2djs s VAL 77 Cb -0.14 -4.76 -0.05 0.00 0.00 0.00 0.00 36.38 31.43 2djs s VAL 77 CO 0.01 -1.58 0.13 -0.69 0.00 0.00 0.00 175.10 172.96 2djs s VAL 78 N 4.70 5.41 0.03 2.92 1.01 -1.21 -3.22 120.40 130.04 2djs s VAL 78 Ca 0.28 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2djs s VAL 78 Cb -0.13 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2djs s VAL 78 CO 0.13 0.49 -0.12 -1.10 0.00 0.00 0.00 175.10 174.50 2djs s GLN 79 N -0.00 0.84 0.06 2.72 -0.21 -0.73 -4.19 119.66 118.15 2djs s GLN 79 Ca 0.10 -0.63 0.08 0.00 0.02 0.00 0.00 55.36 54.93 2djs s GLN 79 Cb -0.11 -0.82 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 2djs s GLN 79 CO -0.00 0.21 -0.23 0.54 -2.12 0.00 0.00 175.29 173.68 2djs s VAL 80 N -0.72 1.87 0.12 1.09 0.11 -1.26 -1.59 120.40 120.01 2djs s VAL 80 Ca 0.01 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 2djs s VAL 80 Cb -0.07 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2djs s VAL 80 CO 0.01 0.23 0.01 0.00 -3.33 0.00 0.00 175.10 172.01 2djs s ARG 81 N -1.32 0.91 -0.15 1.54 1.70 -1.06 -0.56 118.95 120.00 2djs s ARG 81 Ca 0.09 -1.41 -0.03 0.00 -0.47 0.00 0.00 55.73 53.91 2djs s ARG 81 Cb -0.09 0.01 -0.03 0.00 -0.57 0.00 0.00 34.95 34.27 2djs s ARG 81 CO 0.02 -0.16 -0.04 0.00 -1.08 0.00 0.00 175.30 174.04 2djs s ALA 82 N -3.84 2.98 -0.02 7.88 0.00 -1.26 -3.39 121.76 124.10 2djs s ALA 82 Ca 0.19 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2djs s ALA 82 Cb 0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2djs s ALA 82 CO -0.01 0.23 -0.19 0.50 0.00 0.00 0.00 175.76 176.29 2djs s ARG 83 N 0.32 2.26 0.24 0.00 3.52 -1.21 0.04 118.95 124.12 2djs s ARG 83 Ca -0.04 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 2djs s ARG 83 Cb -0.14 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.99 2djs s ARG 83 CO 0.03 0.58 0.09 0.95 -0.81 0.00 0.00 175.30 176.14 2djs s THR 84 N -0.73 0.49 -0.09 4.11 -4.23 0.49 -2.70 115.64 112.99 2djs s THR 84 Ca 0.12 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2djs s THR 84 Cb -0.10 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.36 2djs s THR 84 CO 0.01 -0.07 1.43 0.55 -0.54 0.00 0.00 174.62 175.99 2djs n VAL 85 N -0.40 0.80 0.06 2.29 3.14 -1.26 -0.72 118.33 122.23 2djs n VAL 85 Ca -0.01 0.74 -0.23 0.00 -2.96 0.00 0.00 64.34 61.88 2djs n VAL 85 Cb 0.66 -1.74 -0.15 0.00 -1.06 0.00 0.00 33.84 31.56 2djs n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2djs h ALA 86 N 1.51 0.15 0.00 1.55 0.00 -1.92 -3.51 119.26 117.04 2djs h ALA 86 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2djs h ALA 86 Cb 0.36 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2djs h ALA 86 CO 0.00 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.62 2djs n GLY 87 N 1.83 -0.58 3.87 0.00 0.00 0.10 -5.09 105.19 105.32 2djs n GLY 87 Ca -0.25 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 2djs n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2djs s TYR 88 N -3.36 3.33 0.37 1.61 1.51 -1.26 -0.38 117.35 119.17 2djs s TYR 88 Ca 0.00 0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 2djs s TYR 88 Cb 0.00 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2djs s TYR 88 CO 0.00 0.53 0.33 0.20 -1.11 0.00 0.00 175.55 175.50 2djs s GLY 89 N -3.00 1.91 1.07 0.71 0.00 0.11 -4.26 107.32 103.85 2djs s GLY 89 Ca 0.33 -1.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.19 2djs s GLY 89 CO 0.26 -1.62 1.06 0.54 0.00 0.00 0.00 173.10 173.34 2djs s LYS 90 N -4.05 -0.15 -0.13 2.90 3.01 -1.26 -4.50 119.74 115.56 2djs s LYS 90 Ca 0.44 0.86 -0.16 0.00 -1.01 0.00 0.00 55.97 56.10 2djs s LYS 90 Cb -0.05 -1.64 -0.04 0.00 -1.01 0.00 0.00 37.83 35.08 2djs s LYS 90 CO 0.27 -3.21 0.40 -0.06 0.51 0.00 0.00 175.35 173.27 2djs s PHE 91 N -2.65 3.50 1.06 3.18 0.08 -1.26 -4.21 117.98 117.68 2djs s PHE 91 Ca 0.67 0.78 -0.15 0.00 0.12 0.00 0.00 56.93 58.36 2djs s PHE 91 Cb -0.22 -2.46 0.13 0.00 -0.57 0.00 0.00 43.02 39.89 2djs s PHE 91 CO 0.61 0.22 0.45 -1.13 -0.10 0.00 0.00 175.22 175.28 2djs n SER 92 N 3.55 -1.86 -4.03 1.36 3.41 0.27 -4.88 113.62 111.44 2djs n SER 92 Ca -0.09 0.06 -0.37 0.00 -0.26 0.00 0.00 58.87 58.21 2djs n SER 92 Cb 0.52 -1.15 0.04 0.00 -0.26 0.00 0.00 64.21 63.36 2djs n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djs n GLY 93 N 1.47 -4.00 3.58 5.00 0.00 -1.26 -4.70 105.19 105.27 2djs n GLY 93 Ca 0.04 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2djs n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2djs s LYS 94 N -2.11 3.77 0.12 1.61 2.20 -1.26 -4.83 119.74 119.24 2djs s LYS 94 Ca 0.40 0.12 0.10 0.00 -0.36 0.00 0.00 55.97 56.23 2djs s LYS 94 Cb -0.09 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2djs s LYS 94 CO 0.77 -0.64 -0.24 1.41 -0.36 0.00 0.00 175.35 176.29 2djs s MET 95 N 2.60 1.58 -0.26 4.03 1.75 -1.26 -5.09 119.30 122.64 2djs s MET 95 Ca 0.23 -1.26 0.02 0.00 -1.25 0.00 0.00 55.69 53.43 2djs s MET 95 Cb -0.15 -1.99 0.05 0.00 2.84 0.00 0.00 34.83 35.59 2djs s MET 95 CO 0.13 0.47 -0.10 0.00 -0.65 0.00 0.00 175.02 174.87 2djs s PHE 97 N 1.15 3.02 -0.10 0.00 0.08 -1.15 -4.93 117.98 116.05 2djs s PHE 97 Ca -0.07 -0.72 -0.06 0.00 0.12 0.00 0.00 56.93 56.21 2djs s PHE 97 Cb -0.19 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 2djs s PHE 97 CO -0.05 -0.47 0.14 -1.14 -0.10 0.00 0.00 175.22 173.60 2djs s GLN 98 N 1.54 3.41 1.20 0.44 0.74 -1.26 -2.68 119.66 123.04 2djs s GLN 98 Ca 0.06 -0.18 -0.19 0.00 0.05 0.00 0.00 55.36 55.10 2djs s GLN 98 Cb -0.15 -3.15 0.28 0.00 1.10 0.00 0.00 33.01 31.10 2djs s GLN 98 CO 0.00 0.76 1.11 0.95 -0.55 0.00 0.00 175.29 177.56 2djs s THR 99 N -1.07 1.61 -0.16 -0.34 -4.23 -1.02 -4.95 115.64 105.48 2djs s THR 99 Ca 0.17 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.39 2djs s THR 99 Cb -0.12 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 2djs s THR 99 CO 0.06 0.00 1.02 -0.76 -0.54 0.00 0.00 174.62 174.40 2djs s LEU 100 N -6.93 4.18 -0.46 4.79 1.43 -1.16 -4.33 118.68 116.19 2djs s LEU 100 Ca 0.71 1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 2djs s LEU 100 Cb -0.10 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.61 2djs s LEU 100 CO 0.56 -0.55 0.77 0.42 0.23 0.00 0.00 176.35 177.79 2djs s THR 101 N 2.55 4.66 0.09 5.49 -4.23 -1.26 -3.90 115.64 119.04 2djs s THR 101 Ca 0.46 0.31 -0.31 0.00 -1.18 0.00 0.00 61.69 60.98 2djs s THR 101 Cb -0.17 -4.33 -0.06 0.00 1.34 0.00 0.00 72.50 69.28 2djs s THR 101 CO 0.12 -0.75 1.23 -0.62 -0.54 0.00 0.00 174.62 174.06 2djs s ASP 102 N 2.23 7.04 0.38 3.99 2.15 -1.26 -5.00 116.67 126.20 2djs s ASP 102 Ca 0.28 2.10 -0.15 0.00 0.43 0.00 0.00 52.55 55.21 2djs s ASP 102 Cb -0.13 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.96 2djs s ASP 102 CO 0.21 -0.48 0.77 -0.44 -0.17 0.00 0.00 175.17 175.06 2djs s SER 103 N 0.92 0.04 0.00 -0.34 0.01 -1.26 -5.10 113.70 107.96 2djs s SER 103 Ca 0.59 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2djs s SER 103 Cb -0.31 0.83 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2djs s SER 103 CO 0.30 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.91 2djs n GLY 104 N -0.53 4.90 3.76 3.44 0.00 -1.26 -5.11 105.19 110.39 2djs n GLY 104 Ca -0.08 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 2djs n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djs s PRO 105 N -1.29 4.46 0.08 1.61 0.04 -1.26 -5.04 135.00 133.60 2djs s PRO 105 Ca 0.00 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 2djs s PRO 105 Cb 0.00 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.43 2djs s PRO 105 CO 0.00 -0.06 0.29 -1.12 0.04 0.00 0.00 177.00 176.15 2djs s SER 106 N -0.50 -0.07 0.52 6.66 0.01 -1.26 -5.14 113.70 113.91 2djs s SER 106 Ca 0.48 -0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.16 2djs s SER 106 Cb -0.37 0.38 -0.09 0.00 0.21 0.00 0.00 66.02 66.15 2djs s SER 106 CO 0.47 -0.71 0.64 -0.24 0.41 0.00 0.00 173.24 173.80 2djs n SER 107 N 0.15 -0.51 0.00 2.44 2.88 -1.26 -5.33 113.62 111.99 2djs n SER 107 Ca -0.17 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2djs n SER 107 Cb 0.62 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2djs n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42