#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 h PRO 2 N 0.00 0.65 -4.26 1.57 0.13 -2.01 -3.47 132.00 124.61 1ot4 h PRO 2 Ca 0.00 -0.63 -0.16 0.00 -0.87 0.00 0.00 66.00 64.34 1ot4 h PRO 2 Cb 0.00 0.16 -0.14 0.00 0.13 0.00 0.00 31.00 31.15 1ot4 h PRO 2 CO 0.00 1.23 -0.55 -1.59 -0.23 0.00 0.00 178.00 176.86 1ot4 s LYS 3 N -3.44 0.97 1.12 0.86 -2.85 -1.26 -4.74 119.74 110.39 1ot4 s LYS 3 Ca -0.11 -1.35 -0.16 0.00 -1.00 0.00 0.00 55.97 53.35 1ot4 s LYS 3 Cb 0.06 0.28 0.15 0.00 -2.06 0.00 0.00 37.83 36.26 1ot4 s LYS 3 CO 0.89 -0.30 0.31 1.47 0.10 0.00 0.00 175.35 177.82 1ot4 n LEU 4 N -0.12 -1.79 0.00 2.77 -0.00 -1.26 -4.95 117.00 111.65 1ot4 n LEU 4 Ca -0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1ot4 n LEU 4 Cb 0.63 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1ot4 n LEU 4 CO 0.29 -3.18 0.30 0.52 -0.00 0.00 0.00 177.39 175.32 1ot4 n VAL 5 N -4.49 0.00 -3.85 1.47 0.31 -1.26 -4.91 118.33 105.61 1ot4 n VAL 5 Ca 0.02 1.09 -0.11 0.00 -0.01 0.00 0.00 64.34 65.33 1ot4 n VAL 5 Cb 0.59 -2.02 -0.09 0.00 -0.91 0.00 0.00 33.84 31.42 1ot4 n VAL 5 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ot4 s SER 6 N -2.15 0.00 0.20 4.52 0.01 -1.23 -5.06 113.70 109.99 1ot4 s SER 6 Ca 0.00 -0.23 -0.19 0.00 1.31 0.00 0.00 55.95 56.83 1ot4 s SER 6 Cb 0.00 0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.52 1ot4 s SER 6 CO 0.00 -0.46 0.57 -0.94 0.41 0.00 0.00 173.24 172.82 1ot4 s SER 7 N -1.66 -0.33 -0.42 2.44 1.04 -1.26 0.72 113.70 114.22 1ot4 s SER 7 Ca -0.11 -0.38 0.10 0.00 0.48 0.00 0.00 55.95 56.05 1ot4 s SER 7 Cb -0.05 0.61 0.35 0.00 0.10 0.00 0.00 66.02 67.03 1ot4 s SER 7 CO -0.00 -1.08 0.78 0.41 0.98 0.00 0.00 173.24 174.33 1ot4 n THR 8 N -0.37 0.56 0.00 2.02 -1.04 0.19 -4.91 114.28 110.73 1ot4 n THR 8 Ca -0.11 -4.81 0.00 0.00 -2.04 0.00 0.00 64.05 57.09 1ot4 n THR 8 Cb 0.63 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1ot4 n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ot4 n PRO 9 N 0.17 0.00 0.00 -2.82 -0.04 -1.10 -1.41 135.00 129.80 1ot4 n PRO 9 Ca 0.26 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1ot4 n PRO 9 Cb 0.60 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 1ot4 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 n ALA 10 N -1.47 0.00 -1.21 0.55 0.00 -1.26 -4.58 120.51 112.54 1ot4 n ALA 10 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.89 1ot4 n ALA 10 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1ot4 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ot4 n GLU 11 N 0.00 0.00 -4.03 0.00 1.02 -1.26 0.11 120.64 116.48 1ot4 n GLU 11 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1ot4 n GLU 11 Cb 0.00 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 29.93 1ot4 n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ot4 n GLY 12 N 7.03 -0.39 3.55 0.62 0.00 0.17 -4.74 105.19 111.42 1ot4 n GLY 12 Ca 0.53 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 46.25 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ot4 s SER 13 N -2.90 5.44 -0.23 1.61 0.01 0.30 -4.73 113.70 113.21 1ot4 s SER 13 Ca 0.66 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.66 1ot4 s SER 13 Cb -0.38 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.26 1ot4 s SER 13 CO 0.81 -2.35 0.11 -1.61 0.41 0.00 0.00 173.24 170.61 1ot4 s GLU 14 N 6.72 3.93 0.00 12.44 2.02 -1.26 -0.30 118.70 142.25 1ot4 s GLU 14 Ca 0.62 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1ot4 s GLU 14 Cb -0.10 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1ot4 s GLU 14 CO 0.12 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1ot4 n GLY 15 N 4.24 3.82 3.56 -1.39 0.00 -1.21 -4.95 105.19 109.26 1ot4 n GLY 15 Ca -0.16 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1ot4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 16 N 0.00 -1.79 0.12 4.61 0.00 -1.23 -0.61 121.76 122.86 1ot4 s ALA 16 Ca 0.00 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 1ot4 s ALA 16 Cb 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 23.12 23.52 1ot4 s ALA 16 CO 0.00 -0.77 0.64 0.00 0.00 0.00 0.00 175.76 175.63 1ot4 s ALA 17 N -3.16 3.53 0.49 0.00 0.00 -1.26 -4.68 121.76 116.68 1ot4 s ALA 17 Ca 0.07 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 1ot4 s ALA 17 Cb -0.01 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 1ot4 s ALA 17 CO -0.07 0.37 1.04 -1.25 0.00 0.00 0.00 175.76 175.85 1ot4 s PRO 18 N -1.26 3.78 0.19 0.00 0.04 -1.26 -4.96 135.00 131.53 1ot4 s PRO 18 Ca 0.33 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1ot4 s PRO 18 Cb -0.20 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.39 1ot4 s PRO 18 CO 0.21 -0.45 1.84 0.00 0.04 0.00 0.00 177.00 178.65 1ot4 h ALA 19 N 1.51 0.82 -2.29 8.56 0.00 -1.97 -3.44 119.26 122.45 1ot4 h ALA 19 Ca -0.49 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1ot4 h ALA 19 Cb 1.22 -0.21 -0.20 0.00 0.00 0.00 0.00 17.79 18.60 1ot4 h ALA 19 CO 0.59 0.16 -0.05 -1.59 0.00 0.00 0.00 179.25 178.36 1ot4 s LYS 20 N -6.13 0.81 0.14 0.00 -2.85 -1.26 -4.61 119.74 105.85 1ot4 s LYS 20 Ca -0.13 0.19 -0.22 0.00 -1.00 0.00 0.00 55.97 54.81 1ot4 s LYS 20 Cb 0.14 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 36.22 1ot4 s LYS 20 CO 0.76 -0.22 0.69 0.42 0.10 0.00 0.00 175.35 177.10 1ot4 s ILE 21 N -0.92 4.54 0.05 3.79 1.09 0.03 -4.88 121.20 124.90 1ot4 s ILE 21 Ca -0.10 1.45 0.04 0.00 -1.10 0.00 0.00 60.65 60.95 1ot4 s ILE 21 Cb -0.03 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.33 1ot4 s ILE 21 CO 0.06 0.48 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.72 1ot4 s GLU 22 N -1.28 2.49 -0.06 2.79 2.02 -0.50 0.05 118.70 124.21 1ot4 s GLU 22 Ca 0.34 -0.80 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 1ot4 s GLU 22 Cb -0.21 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1ot4 s GLU 22 CO 0.23 0.57 0.27 -0.51 0.02 0.00 0.00 175.26 175.83 1ot4 s LEU 23 N -1.83 1.00 0.07 1.80 1.43 0.10 0.53 118.68 121.78 1ot4 s LEU 23 Ca 0.21 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1ot4 s LEU 23 Cb -0.11 1.01 -0.03 0.00 0.03 0.00 0.00 46.19 47.08 1ot4 s LEU 23 CO 0.12 -0.25 -0.07 -1.00 0.23 0.00 0.00 176.35 175.38 1ot4 s HIS 24 N -0.56 0.75 -0.28 0.29 3.76 0.22 -0.04 115.29 119.44 1ot4 s HIS 24 Ca -0.07 -0.75 0.02 0.00 -0.15 0.00 0.00 55.06 54.11 1ot4 s HIS 24 Cb -0.04 -0.45 0.17 0.00 1.11 0.00 0.00 32.58 33.37 1ot4 s HIS 24 CO 0.02 -0.15 0.47 -0.06 -0.85 0.00 0.00 174.74 174.17 1ot4 s PHE 25 N -2.70 -1.25 -1.33 1.40 0.40 -0.17 -3.51 117.98 110.83 1ot4 s PHE 25 Ca 0.02 0.80 0.15 0.00 -0.60 0.00 0.00 56.93 57.30 1ot4 s PHE 25 Cb -0.01 0.09 0.73 0.00 0.51 0.00 0.00 43.02 44.34 1ot4 s PHE 25 CO -0.03 -0.94 1.43 0.43 0.70 0.00 0.00 175.22 176.81 1ot4 n SER 26 N 5.38 0.00 0.00 1.36 7.64 -1.26 -3.72 113.62 123.02 1ot4 n SER 26 Ca 0.01 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1ot4 n SER 26 Cb 0.51 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1ot4 n SER 26 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ot4 n GLU 27 N -1.33 0.00 0.00 1.43 4.07 -1.26 -5.12 120.64 118.42 1ot4 n GLU 27 Ca 0.06 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 1ot4 n GLU 27 Cb 0.13 -0.46 0.00 0.00 -0.06 0.00 0.00 31.44 31.05 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ot4 n ASN 28 N -2.00 0.00 0.00 4.31 4.05 -1.24 -5.07 115.26 115.31 1ot4 n ASN 28 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1ot4 n ASN 28 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1ot4 n LEU 29 N 0.00 0.03 -1.47 1.20 -0.00 -1.26 -4.40 117.00 111.10 1ot4 n LEU 29 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1ot4 n LEU 29 Cb 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1ot4 n LEU 29 CO 0.00 -0.40 -0.40 0.52 -0.00 0.00 0.00 177.39 177.12 1ot4 n VAL 30 N -2.27 -4.86 -2.60 1.96 0.31 -1.26 -4.35 118.33 105.27 1ot4 n VAL 30 Ca 0.00 2.15 -0.43 0.00 -0.01 0.00 0.00 64.34 66.05 1ot4 n VAL 30 Cb 0.00 -2.96 0.00 0.00 -0.91 0.00 0.00 33.84 29.97 1ot4 n VAL 30 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ot4 n THR 31 N -0.25 4.41 -0.05 2.52 5.66 -1.26 -4.41 114.28 120.89 1ot4 n THR 31 Ca 0.00 -4.65 -0.11 0.00 -3.05 0.00 0.00 64.05 56.25 1ot4 n THR 31 Cb 0.00 -2.37 -0.04 0.00 -1.55 0.00 0.00 70.33 66.37 1ot4 n THR 31 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1ot4 n GLN 32 N 4.14 0.22 -0.60 1.09 -0.06 -1.26 -4.89 117.38 116.03 1ot4 n GLN 32 Ca 0.37 0.09 -0.00 0.00 -2.00 0.00 0.00 57.00 55.46 1ot4 n GLN 32 Cb 0.38 -0.91 -0.01 0.00 -4.06 0.00 0.00 30.24 25.64 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1ot4 n PHE 33 N -3.38 0.00 -3.27 3.69 3.72 -1.26 -5.12 117.46 111.84 1ot4 n PHE 33 Ca -0.20 -0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 56.92 1ot4 n PHE 33 Cb 0.65 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 1ot4 n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ot4 s SER 34 N -0.51 5.91 0.00 4.37 0.15 -1.26 -4.70 113.70 117.66 1ot4 s SER 34 Ca 0.02 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1ot4 s SER 34 Cb 0.02 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1ot4 s SER 34 CO -0.01 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1ot4 n GLY 35 N -1.83 2.81 3.10 9.45 0.00 0.45 -4.99 105.19 114.19 1ot4 n GLY 35 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 1ot4 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 36 N -2.00 0.60 -0.22 4.61 0.00 -1.26 0.35 121.76 123.84 1ot4 s ALA 36 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1ot4 s ALA 36 Cb 0.00 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.43 1ot4 s ALA 36 CO 0.00 -0.32 0.53 0.15 0.00 0.00 0.00 175.76 176.12 1ot4 s LYS 37 N -3.72 0.51 -0.14 0.00 1.02 0.14 -4.89 119.74 112.65 1ot4 s LYS 37 Ca 0.07 1.01 -0.13 0.00 0.02 0.00 0.00 55.97 56.93 1ot4 s LYS 37 Cb 0.06 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1ot4 s LYS 37 CO -0.08 -0.16 0.28 -1.17 -0.92 0.00 0.00 175.35 173.29 1ot4 s LEU 38 N 1.67 4.28 -0.05 3.17 2.96 -1.26 -1.06 118.68 128.38 1ot4 s LEU 38 Ca -0.09 0.53 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1ot4 s LEU 38 Cb -0.08 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1ot4 s LEU 38 CO -0.16 0.15 -0.15 0.68 -1.32 0.00 0.00 176.35 175.56 1ot4 s VAL 39 N 0.18 1.27 -0.93 1.68 -7.23 -0.74 -0.70 120.40 113.94 1ot4 s VAL 39 Ca 0.16 -0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 59.52 1ot4 s VAL 39 Cb -0.13 -1.11 0.11 0.00 0.56 0.00 0.00 36.38 35.81 1ot4 s VAL 39 CO 0.04 0.37 1.18 -0.32 -0.31 0.00 0.00 175.10 176.07 1ot4 s MET 40 N 0.20 3.56 -1.07 4.82 1.75 0.38 -0.58 119.30 128.37 1ot4 s MET 40 Ca -0.06 -1.57 -0.02 0.00 -1.25 0.00 0.00 55.69 52.79 1ot4 s MET 40 Cb -0.12 -4.96 0.29 0.00 2.84 0.00 0.00 34.83 32.89 1ot4 s MET 40 CO 0.02 -1.86 1.91 -2.37 -0.65 0.00 0.00 175.02 172.07 1ot4 n THR 41 N 5.80 6.01 -1.75 10.11 5.66 -0.62 -2.50 114.28 136.98 1ot4 n THR 41 Ca 0.24 -5.76 -0.42 0.00 -3.05 0.00 0.00 64.05 55.06 1ot4 n THR 41 Cb 0.49 -1.62 -0.02 0.00 -1.55 0.00 0.00 70.33 67.63 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 s ALA 42 N -3.90 3.82 -0.18 1.79 0.00 -0.54 -4.10 121.76 118.65 1ot4 s ALA 42 Ca 0.41 1.58 -0.08 0.00 0.00 0.00 0.00 51.96 53.87 1ot4 s ALA 42 Cb 0.19 -3.67 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1ot4 s ALA 42 CO -0.13 -0.97 0.16 -0.12 0.00 0.00 0.00 175.76 174.71 1ot4 n MET 43 N 2.85 -3.83 -2.32 0.00 0.00 -1.26 -4.76 117.12 107.80 1ot4 n MET 43 Ca 0.11 2.96 -0.35 0.00 -0.00 0.00 0.00 57.70 60.43 1ot4 n MET 43 Cb 0.36 -4.45 -0.04 0.00 0.00 0.00 0.00 33.22 29.10 1ot4 n MET 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1ot4 s PRO 44 N -0.79 3.15 0.00 2.12 0.04 -1.26 -4.28 135.00 133.98 1ot4 s PRO 44 Ca -0.19 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 59.83 1ot4 s PRO 44 Cb 0.01 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1ot4 s PRO 44 CO 0.67 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 175.23 1ot4 n GLY 45 N 6.43 -0.05 2.26 0.56 0.00 -1.26 -5.06 105.19 108.07 1ot4 n GLY 45 Ca 0.40 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 1ot4 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ot4 n MET 46 N 0.00 0.94 -3.95 1.61 2.81 -1.26 -4.94 117.12 112.33 1ot4 n MET 46 Ca 0.00 -3.18 -0.31 0.00 -1.81 0.00 0.00 57.70 52.40 1ot4 n MET 46 Cb 0.00 -1.58 -0.05 0.00 -0.71 0.00 0.00 33.22 30.88 1ot4 n MET 46 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1ot4 n GLU 47 N 0.44 -1.61 -3.04 0.03 0.00 -1.26 -2.07 120.64 113.13 1ot4 n GLU 47 Ca 0.22 0.15 -0.12 0.00 0.00 0.00 0.00 57.16 57.41 1ot4 n GLU 47 Cb 0.65 -4.73 0.01 0.00 0.00 0.00 0.00 31.44 27.38 1ot4 n GLU 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1ot4 n HIS 48 N -3.69 -2.82 -3.44 4.31 -0.00 -1.26 -4.97 115.22 103.34 1ot4 n HIS 48 Ca 0.08 1.19 -0.26 0.00 -0.00 0.00 0.00 57.72 58.72 1ot4 n HIS 48 Cb 0.47 -2.97 -0.09 0.00 -0.00 0.00 0.00 29.99 27.40 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ot4 n SER 49 N 0.26 1.63 -4.76 0.26 7.64 -0.88 -5.10 113.62 112.67 1ot4 n SER 49 Ca 0.02 -2.94 -0.39 0.00 1.01 0.00 0.00 58.87 56.56 1ot4 n SER 49 Cb 0.41 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ot4 s PRO 50 N -1.35 4.51 -0.36 1.43 0.04 -1.26 -4.84 135.00 133.16 1ot4 s PRO 50 Ca 0.34 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 1ot4 s PRO 50 Cb 0.10 -3.00 0.05 0.00 0.04 0.00 0.00 34.50 31.68 1ot4 s PRO 50 CO -0.11 0.13 0.16 -1.64 0.04 0.00 0.00 177.00 175.58 1ot4 s MET 51 N -1.74 2.65 0.49 4.56 -1.94 -1.04 -4.87 119.30 117.41 1ot4 s MET 51 Ca 0.48 -1.22 -0.22 0.00 -1.71 0.00 0.00 55.69 53.02 1ot4 s MET 51 Cb -0.28 -3.58 -0.08 0.00 2.01 0.00 0.00 34.83 32.89 1ot4 s MET 51 CO 0.36 -0.73 1.08 0.00 -0.01 0.00 0.00 175.02 175.72 1ot4 n ALA 52 N 4.87 0.54 -2.67 3.03 0.00 -1.26 0.14 120.51 125.15 1ot4 n ALA 52 Ca -0.12 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 1ot4 n ALA 52 Cb 0.45 -2.15 -0.16 0.00 0.00 0.00 0.00 19.45 17.59 1ot4 n ALA 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot4 s VAL 53 N -1.34 2.26 -0.63 0.00 0.11 0.13 -4.75 120.40 116.18 1ot4 s VAL 53 Ca 0.67 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.47 1ot4 s VAL 53 Cb -0.49 -1.83 -0.08 0.00 -1.53 0.00 0.00 36.38 32.44 1ot4 s VAL 53 CO 0.53 0.57 2.32 -0.54 -3.33 0.00 0.00 175.10 174.65 1ot4 s LYS 54 N -0.26 2.02 0.38 1.54 1.02 -1.26 -4.61 119.74 118.57 1ot4 s LYS 54 Ca -0.00 0.90 0.03 0.00 0.02 0.00 0.00 55.97 56.92 1ot4 s LYS 54 Cb -0.13 -4.66 -0.04 0.00 -0.52 0.00 0.00 37.83 32.48 1ot4 s LYS 54 CO 0.03 -3.61 0.10 0.00 -0.92 0.00 0.00 175.35 170.94 1ot4 s ALA 55 N 12.57 2.74 -0.13 5.17 0.00 -1.26 -0.95 121.76 139.89 1ot4 s ALA 55 Ca 0.91 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1ot4 s ALA 55 Cb -0.14 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1ot4 s ALA 55 CO 0.18 -0.32 0.35 0.00 0.00 0.00 0.00 175.76 175.97 1ot4 s ALA 56 N -3.25 -0.86 -0.23 0.00 0.00 -0.49 -4.78 121.76 112.15 1ot4 s ALA 56 Ca 0.28 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 1ot4 s ALA 56 Cb 0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1ot4 s ALA 56 CO 0.14 -0.17 0.28 0.08 0.00 0.00 0.00 175.76 176.09 1ot4 s VAL 57 N 0.24 5.28 -0.01 0.00 1.01 -1.26 -0.49 120.40 125.17 1ot4 s VAL 57 Ca -0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ot4 s VAL 57 Cb -0.03 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1ot4 s VAL 57 CO -0.00 0.29 0.02 -0.44 0.00 0.00 0.00 175.10 174.96 1ot4 s SER 58 N 1.12 0.10 0.71 3.32 0.01 0.34 -4.97 113.70 114.32 1ot4 s SER 58 Ca 0.13 0.02 -0.11 0.00 1.31 0.00 0.00 55.95 57.30 1ot4 s SER 58 Cb -0.14 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1ot4 s SER 58 CO 0.07 -0.08 1.07 -0.83 0.41 0.00 0.00 173.24 173.87 1ot4 s GLY 59 N 0.73 1.71 0.00 3.44 0.00 -1.26 0.31 107.32 112.25 1ot4 s GLY 59 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1ot4 s GLY 59 CO -0.02 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.16 1ot4 n GLY 60 N -1.72 0.95 0.10 0.20 0.00 -0.37 -4.73 105.19 99.61 1ot4 n GLY 60 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1ot4 n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ot4 h GLY 61 N 0.00 0.19 -2.31 -0.02 0.00 -1.98 -3.47 103.07 95.48 1ot4 h GLY 61 Ca 0.00 -0.49 -0.59 0.00 0.00 0.00 0.00 47.33 46.25 1ot4 h GLY 61 CO 0.00 0.43 -0.70 0.99 0.00 0.00 0.00 176.54 177.26 1ot4 s ASP 62 N -6.79 4.03 0.14 0.19 1.11 -1.26 -5.02 116.67 109.07 1ot4 s ASP 62 Ca -0.07 -0.89 0.24 0.00 0.18 0.00 0.00 52.55 52.01 1ot4 s ASP 62 Cb 0.08 -0.53 0.91 0.00 1.07 0.00 0.00 42.92 44.44 1ot4 s ASP 62 CO 0.84 -0.02 1.73 -0.81 1.18 0.00 0.00 175.17 178.09 1ot4 n PRO 63 N -0.77 0.13 0.00 8.23 -0.04 -1.26 -2.11 135.00 139.18 1ot4 n PRO 63 Ca -0.05 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1ot4 n PRO 63 Cb 0.60 -1.70 0.44 0.00 -0.04 0.00 0.00 33.50 32.80 1ot4 n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ot4 n LYS 64 N -1.94 0.03 -4.20 0.54 2.85 -1.26 -4.42 118.16 109.77 1ot4 n LYS 64 Ca 0.04 -0.01 -0.34 0.00 -1.05 0.00 0.00 58.31 56.95 1ot4 n LYS 64 Cb 0.30 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.04 1ot4 n LYS 64 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ot4 s THR 65 N -2.98 3.20 0.10 0.58 2.01 -0.90 -1.00 115.64 116.66 1ot4 s THR 65 Ca 0.13 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1ot4 s THR 65 Cb 0.18 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1ot4 s THR 65 CO 0.61 0.47 0.06 -0.04 -0.69 0.00 0.00 174.62 175.02 1ot4 s MET 66 N 1.08 2.75 -0.15 4.92 -1.94 0.95 -1.24 119.30 125.66 1ot4 s MET 66 Ca 0.00 -0.78 -0.04 0.00 -1.71 0.00 0.00 55.69 53.16 1ot4 s MET 66 Cb -0.15 -2.64 0.07 0.00 2.01 0.00 0.00 34.83 34.13 1ot4 s MET 66 CO -0.01 0.54 0.20 0.08 -0.01 0.00 0.00 175.02 175.82 1ot4 s VAL 67 N -1.43 -0.31 -0.27 -6.03 1.01 0.15 0.01 120.40 113.53 1ot4 s VAL 67 Ca 0.28 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 1ot4 s VAL 67 Cb -0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 1ot4 s VAL 67 CO 0.21 -0.04 0.78 -0.63 0.00 0.00 0.00 175.10 175.41 1ot4 s ILE 68 N 2.33 4.84 -0.26 2.22 1.09 0.11 -0.50 121.20 131.02 1ot4 s ILE 68 Ca 0.04 1.32 0.02 0.00 -1.10 0.00 0.00 60.65 60.93 1ot4 s ILE 68 Cb -0.14 -4.10 0.05 0.00 -1.06 0.00 0.00 42.46 37.22 1ot4 s ILE 68 CO -0.09 -0.13 -0.10 -0.89 -0.10 0.00 0.00 174.94 173.62 1ot4 s THR 69 N 2.83 2.31 0.16 2.92 2.01 0.36 -0.79 115.64 125.45 1ot4 s THR 69 Ca 0.32 -1.51 -0.30 0.00 0.31 0.00 0.00 61.69 60.51 1ot4 s THR 69 Cb -0.15 -2.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.97 1ot4 s THR 69 CO 0.10 0.02 1.13 -2.16 -0.69 0.00 0.00 174.62 173.01 1ot4 s PRO 70 N 1.15 4.56 0.39 4.92 0.04 -1.26 -1.40 135.00 143.39 1ot4 s PRO 70 Ca -0.07 1.75 0.19 0.00 0.04 0.00 0.00 61.00 62.91 1ot4 s PRO 70 Cb -0.19 -3.28 0.74 0.00 0.04 0.00 0.00 34.50 31.81 1ot4 s PRO 70 CO -0.05 0.01 1.76 0.00 0.04 0.00 0.00 177.00 178.76 1ot4 h ALA 71 N 5.35 1.03 -2.67 8.56 0.00 -1.35 -3.44 119.26 126.73 1ot4 h ALA 71 Ca -0.44 -0.31 -0.61 0.00 0.00 0.00 0.00 54.91 53.54 1ot4 h ALA 71 Cb 1.21 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1ot4 h ALA 71 CO 0.74 0.43 -0.74 -1.12 0.00 0.00 0.00 179.25 178.56 1ot4 s SER 72 N -6.42 3.96 0.07 0.00 0.01 -1.18 -5.06 113.70 105.07 1ot4 s SER 72 Ca -0.00 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.18 1ot4 s SER 72 Cb 0.11 -0.53 -0.06 0.00 0.21 0.00 0.00 66.02 65.75 1ot4 s SER 72 CO 0.68 0.07 1.16 -2.16 0.41 0.00 0.00 173.24 173.40 1ot4 s PRO 73 N -3.15 4.46 -0.28 12.44 0.04 -1.26 -4.98 135.00 142.27 1ot4 s PRO 73 Ca 0.27 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1ot4 s PRO 73 Cb -0.07 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1ot4 s PRO 73 CO 0.15 -0.20 1.25 -0.51 0.04 0.00 0.00 177.00 177.73 1ot4 s LEU 74 N 0.90 3.94 0.72 -3.56 1.43 -1.26 -5.01 118.68 115.84 1ot4 s LEU 74 Ca 0.57 1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 54.86 1ot4 s LEU 74 Cb -0.29 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.47 1ot4 s LEU 74 CO 0.30 -0.99 1.04 0.42 0.23 0.00 0.00 176.35 177.35 1ot4 s THR 75 N 4.09 2.24 1.13 5.49 -4.23 -1.26 -4.72 115.64 118.38 1ot4 s THR 75 Ca 0.54 -0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 1ot4 s THR 75 Cb -0.17 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.93 1ot4 s THR 75 CO 0.20 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.78 1ot4 n ALA 76 N -2.98 -1.83 0.00 3.99 0.00 -1.26 -4.80 120.51 113.62 1ot4 n ALA 76 Ca 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1ot4 n ALA 76 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1ot4 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ot4 n GLY 77 N 2.27 0.25 3.02 0.00 0.00 0.33 -4.84 105.19 106.22 1ot4 n GLY 77 Ca 0.08 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 1ot4 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ot4 s THR 78 N 0.00 0.69 0.06 2.61 2.01 -1.26 -0.20 115.64 119.55 1ot4 s THR 78 Ca 0.00 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1ot4 s THR 78 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1ot4 s THR 78 CO 0.00 0.18 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.78 1ot4 s TYR 79 N -0.23 0.58 -0.11 4.92 1.51 -0.56 -1.46 117.35 121.99 1ot4 s TYR 79 Ca 0.03 -1.09 -0.03 0.00 -1.01 0.00 0.00 57.07 54.97 1ot4 s TYR 79 Cb -0.04 -0.41 0.04 0.00 -0.11 0.00 0.00 41.96 41.45 1ot4 s TYR 79 CO -0.00 -0.40 0.04 0.21 -1.11 0.00 0.00 175.55 174.28 1ot4 s LYS 80 N -3.94 0.39 -0.49 -0.62 2.36 0.26 -1.23 119.74 116.47 1ot4 s LYS 80 Ca 0.10 -0.01 -0.19 0.00 -2.55 0.00 0.00 55.97 53.32 1ot4 s LYS 80 Cb 0.08 -1.34 0.05 0.00 -1.05 0.00 0.00 37.83 35.58 1ot4 s LYS 80 CO -0.08 -0.46 0.58 0.08 1.55 0.00 0.00 175.35 177.02 1ot4 s VAL 81 N 2.01 4.93 -0.21 4.02 1.01 -0.56 -1.79 120.40 129.82 1ot4 s VAL 81 Ca 0.03 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1ot4 s VAL 81 Cb -0.14 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1ot4 s VAL 81 CO -0.06 -0.73 0.54 -1.81 0.00 0.00 0.00 175.10 173.04 1ot4 s ASP 82 N 2.54 6.57 0.24 3.32 1.11 -0.23 0.47 116.67 130.69 1ot4 s ASP 82 Ca 0.14 0.68 0.12 0.00 0.18 0.00 0.00 52.55 53.67 1ot4 s ASP 82 Cb -0.19 -2.30 -0.05 0.00 1.07 0.00 0.00 42.92 41.45 1ot4 s ASP 82 CO 0.12 -0.22 -0.21 -1.66 1.18 0.00 0.00 175.17 174.38 1ot4 s TRP 83 N 1.81 2.26 -0.14 4.23 1.48 0.49 0.23 118.94 129.30 1ot4 s TRP 83 Ca 0.25 -0.35 -0.06 0.00 -1.06 0.00 0.00 56.10 54.88 1ot4 s TRP 83 Cb -0.16 -1.04 0.07 0.00 -1.16 0.00 0.00 33.47 31.19 1ot4 s TRP 83 CO 0.10 0.61 0.30 1.03 -4.06 0.00 0.00 176.95 174.93 1ot4 s ARG 84 N -3.18 0.21 0.12 3.25 0.52 0.16 -0.55 118.95 119.47 1ot4 s ARG 84 Ca 0.26 0.78 0.07 0.00 -0.52 0.00 0.00 55.73 56.32 1ot4 s ARG 84 Cb -0.06 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 1ot4 s ARG 84 CO 0.13 -0.25 -0.05 0.00 0.02 0.00 0.00 175.30 175.14 1ot4 s ALA 85 N 2.24 3.10 -0.25 2.13 0.00 0.12 -0.41 121.76 128.68 1ot4 s ALA 85 Ca -0.02 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 1ot4 s ALA 85 Cb -0.12 -0.99 0.13 0.00 0.00 0.00 0.00 23.12 22.15 1ot4 s ALA 85 CO -0.10 0.62 0.35 0.08 0.00 0.00 0.00 175.76 176.71 1ot4 s VAL 86 N -1.38 -0.54 0.51 0.00 1.01 -1.26 -0.71 120.40 118.03 1ot4 s VAL 86 Ca 0.24 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1ot4 s VAL 86 Cb -0.11 -0.86 0.13 0.00 0.00 0.00 0.00 36.38 35.54 1ot4 s VAL 86 CO 0.16 -0.22 0.29 -0.24 0.00 0.00 0.00 175.10 175.09 1ot4 n SER 87 N 5.35 -2.71 0.03 3.32 2.88 -1.26 -4.66 113.62 116.57 1ot4 n SER 87 Ca -0.03 -0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.09 1ot4 n SER 87 Cb 0.49 -0.34 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 1ot4 n SER 87 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ot4 h SER 88 N -2.54 -1.19 -2.37 -3.46 0.02 -1.87 -3.39 113.55 98.75 1ot4 h SER 88 Ca -0.13 0.15 -0.40 0.00 -0.84 0.00 0.00 61.79 60.57 1ot4 h SER 88 Cb 0.45 0.48 -0.36 0.00 0.14 0.00 0.00 62.40 63.11 1ot4 h SER 88 CO 0.08 -0.42 -0.69 -0.62 -1.14 0.00 0.00 176.83 174.04 1ot4 s ASP 89 N -4.85 2.33 -0.17 3.07 2.15 -1.26 -5.11 116.67 112.84 1ot4 s ASP 89 Ca -0.16 -0.97 -0.32 0.00 0.43 0.00 0.00 52.55 51.53 1ot4 s ASP 89 Cb 0.09 0.20 0.14 0.00 -0.30 0.00 0.00 42.92 43.05 1ot4 s ASP 89 CO 0.64 -0.40 1.13 0.28 -0.17 0.00 0.00 175.17 176.65 1ot4 s THR 90 N 2.24 0.00 1.01 1.71 -1.32 -1.26 -5.16 115.64 112.86 1ot4 s THR 90 Ca 0.09 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.40 1ot4 s THR 90 Cb -0.15 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.80 1ot4 s THR 90 CO -0.33 0.00 -0.37 1.41 -2.21 0.00 0.00 174.62 173.11 1ot4 n HIS 91 N 0.14 -2.51 -2.45 9.09 8.25 -1.26 -4.65 115.22 121.84 1ot4 n HIS 91 Ca -0.03 0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 1ot4 n HIS 91 Cb 0.59 -1.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.11 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1ot4 s PRO 92 N -2.84 4.38 -0.62 -0.41 0.04 -1.26 -4.71 135.00 129.58 1ot4 s PRO 92 Ca 0.48 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 1ot4 s PRO 92 Cb -0.13 -3.50 0.15 0.00 0.04 0.00 0.00 34.50 31.06 1ot4 s PRO 92 CO 0.71 -0.39 0.60 0.42 0.04 0.00 0.00 177.00 178.38 1ot4 s ILE 93 N 1.87 5.26 0.28 0.56 -1.09 0.12 -5.01 121.20 123.19 1ot4 s ILE 93 Ca 0.57 -1.68 -0.06 0.00 -2.23 0.00 0.00 60.65 57.25 1ot4 s ILE 93 Cb -0.26 -4.39 -0.05 0.00 -1.58 0.00 0.00 42.46 36.17 1ot4 s ILE 93 CO 0.24 -0.95 0.56 0.42 -1.23 0.00 0.00 174.94 173.98 1ot4 s THR 94 N 1.38 5.01 -0.19 2.92 -4.23 -1.26 0.11 115.64 119.38 1ot4 s THR 94 Ca 0.08 0.12 -0.32 0.00 -1.18 0.00 0.00 61.69 60.38 1ot4 s THR 94 Cb -0.24 -3.72 0.15 0.00 1.34 0.00 0.00 72.50 70.03 1ot4 s THR 94 CO 0.00 -0.29 1.18 -0.83 -0.54 0.00 0.00 174.62 174.14 1ot4 s GLY 95 N -3.06 -0.22 0.06 3.99 0.00 0.28 -4.84 107.32 103.54 1ot4 s GLY 95 Ca 0.44 1.90 -0.05 0.00 0.00 0.00 0.00 44.72 47.01 1ot4 s GLY 95 CO 0.29 0.73 0.09 -0.56 0.00 0.00 0.00 173.10 173.65 1ot4 s SER 96 N -1.76 0.26 -0.29 1.64 0.01 -1.26 0.19 113.70 112.49 1ot4 s SER 96 Ca 0.07 -0.74 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 1ot4 s SER 96 Cb -0.01 0.26 0.09 0.00 0.21 0.00 0.00 66.02 66.58 1ot4 s SER 96 CO -0.05 -0.63 0.10 -0.69 0.41 0.00 0.00 173.24 172.39 1ot4 s VAL 97 N -3.56 0.46 0.18 3.43 1.01 0.18 -4.94 120.40 117.16 1ot4 s VAL 97 Ca 0.03 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 1ot4 s VAL 97 Cb 0.04 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 1ot4 s VAL 97 CO -0.09 -0.63 0.68 0.28 0.00 0.00 0.00 175.10 175.33 1ot4 s THR 98 N 1.83 4.61 0.09 3.92 -1.32 -1.26 -1.50 115.64 122.02 1ot4 s THR 98 Ca 0.08 1.26 -0.16 0.00 -1.21 0.00 0.00 61.69 61.66 1ot4 s THR 98 Cb -0.17 -3.89 0.03 0.00 -1.51 0.00 0.00 72.50 66.97 1ot4 s THR 98 CO -0.27 0.32 0.39 0.72 -2.21 0.00 0.00 174.62 173.57 1ot4 s PHE 99 N -1.39 -0.20 0.34 9.09 -0.12 -0.37 0.41 117.98 125.74 1ot4 s PHE 99 Ca 0.39 -0.03 0.08 0.00 -0.05 0.00 0.00 56.93 57.31 1ot4 s PHE 99 Cb -0.18 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1ot4 s PHE 99 CO 0.21 -0.64 0.19 0.15 -0.05 0.00 0.00 175.22 175.08 1ot4 s LYS 100 N -3.34 2.51 -0.07 1.99 1.02 0.59 -1.49 119.74 120.94 1ot4 s LYS 100 Ca 0.00 -1.45 -0.03 0.00 0.02 0.00 0.00 55.97 54.52 1ot4 s LYS 100 Cb 0.01 -2.29 0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1ot4 s LYS 100 CO -0.09 0.12 0.13 0.08 -0.92 0.00 0.00 175.35 174.67 1ot4 s VAL 101 N -2.37 -0.18 -1.52 3.17 1.01 0.73 -3.30 120.40 117.92 1ot4 s VAL 101 Ca 0.39 0.33 0.12 0.00 0.00 0.00 0.00 61.98 62.82 1ot4 s VAL 101 Cb -0.04 -0.25 0.10 0.00 0.00 0.00 0.00 36.38 36.19 1ot4 s VAL 101 CO 0.24 0.14 0.89 0.29 0.00 0.00 0.00 175.10 176.65