#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 s PRO 2 N 0.00 3.76 0.08 -0.41 0.04 -1.26 -4.98 135.00 132.24 1ot4 s PRO 2 Ca 0.00 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 1ot4 s PRO 2 Cb 0.00 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 1ot4 s PRO 2 CO 0.00 -1.32 0.09 0.15 0.04 0.00 0.00 177.00 175.96 1ot4 s LYS 3 N 4.53 0.79 1.17 4.56 1.02 -1.26 -4.96 119.74 125.59 1ot4 s LYS 3 Ca 0.60 -1.15 -0.18 0.00 0.02 0.00 0.00 55.97 55.26 1ot4 s LYS 3 Cb -0.16 0.28 0.21 0.00 -0.52 0.00 0.00 37.83 37.64 1ot4 s LYS 3 CO 0.28 -0.22 0.42 1.47 -0.92 0.00 0.00 175.35 176.38 1ot4 n LEU 4 N -0.01 -1.55 0.00 3.17 -0.00 -1.26 -4.93 117.00 112.42 1ot4 n LEU 4 Ca -0.13 -0.38 0.00 0.00 -0.00 0.00 0.00 56.01 55.50 1ot4 n LEU 4 Cb 0.62 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 1ot4 n LEU 4 CO 0.26 -3.50 0.34 0.52 -0.00 0.00 0.00 177.39 175.01 1ot4 n VAL 5 N -4.82 0.00 -3.70 1.47 0.31 -1.26 -4.90 118.33 105.44 1ot4 n VAL 5 Ca 0.05 1.17 -0.14 0.00 -0.01 0.00 0.00 64.34 65.42 1ot4 n VAL 5 Cb 0.52 -2.02 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 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 -2.31 -0.28 0.20 4.52 0.01 -1.20 -5.07 113.70 109.57 1ot4 s SER 6 Ca 0.00 0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.21 1ot4 s SER 6 Cb 0.00 0.38 0.04 0.00 0.21 0.00 0.00 66.02 66.65 1ot4 s SER 6 CO 0.00 -0.54 0.57 -0.94 0.41 0.00 0.00 173.24 172.75 1ot4 s SER 7 N -1.52 -0.35 -0.40 2.44 1.04 -1.26 0.80 113.70 114.46 1ot4 s SER 7 Ca -0.11 -0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.07 1ot4 s SER 7 Cb -0.03 0.61 0.35 0.00 0.10 0.00 0.00 66.02 67.05 1ot4 s SER 7 CO 0.03 -1.07 0.76 0.41 0.98 0.00 0.00 173.24 174.35 1ot4 n THR 8 N -0.37 0.28 0.00 2.02 -1.04 0.17 -4.91 114.28 110.43 1ot4 n THR 8 Ca -0.11 -4.71 0.00 0.00 -2.04 0.00 0.00 64.05 57.19 1ot4 n THR 8 Cb 0.63 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 0.20 0.00 -2.24 -2.82 -0.04 -1.12 -1.25 135.00 127.74 1ot4 n PRO 9 Ca 0.26 0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.90 1ot4 n PRO 9 Cb 0.63 -0.83 -0.01 0.00 -0.04 0.00 0.00 33.50 33.24 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 -1.12 -2.25 -1.41 0.55 0.00 -1.26 -4.51 120.51 110.52 1ot4 n ALA 10 Ca 0.00 -0.25 -0.48 0.00 0.00 0.00 0.00 53.44 52.71 1ot4 n ALA 10 Cb 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.36 0.08 -3.91 0.00 1.02 -1.26 0.11 120.64 116.32 1ot4 n GLU 11 Ca -0.19 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.65 1ot4 n GLU 11 Cb 0.59 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 6.85 -0.45 3.55 0.62 0.00 0.13 -4.79 105.19 111.10 1ot4 n GLY 12 Ca 0.60 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 46.37 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ot4 s SER 13 N -3.01 5.42 -0.18 1.61 0.15 0.31 -4.73 113.70 113.26 1ot4 s SER 13 Ca 0.61 -0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.99 1ot4 s SER 13 Cb -0.34 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.40 1ot4 s SER 13 CO 0.75 -2.38 -0.00 -1.61 1.20 0.00 0.00 173.24 171.20 1ot4 s GLU 14 N 6.73 3.73 0.00 5.44 2.02 -1.26 0.12 118.70 135.48 1ot4 s GLU 14 Ca 0.63 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1ot4 s GLU 14 Cb -0.09 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1ot4 s GLU 14 CO 0.11 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.98 1ot4 n GLY 15 N 3.75 3.65 3.67 -1.39 0.00 -1.23 -4.94 105.19 108.70 1ot4 n GLY 15 Ca -0.17 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.71 0.15 4.61 0.00 -1.24 -0.74 121.76 122.83 1ot4 s ALA 16 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1ot4 s ALA 16 Cb 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 23.12 23.63 1ot4 s ALA 16 CO 0.00 -0.92 0.97 0.00 0.00 0.00 0.00 175.76 175.81 1ot4 s ALA 17 N -3.24 3.28 0.49 0.00 0.00 -1.26 -4.58 121.76 116.44 1ot4 s ALA 17 Ca 0.10 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 1ot4 s ALA 17 Cb -0.01 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 1ot4 s ALA 17 CO -0.02 0.01 1.04 -1.25 0.00 0.00 0.00 175.76 175.54 1ot4 s PRO 18 N -0.34 3.79 0.10 0.00 0.04 -1.26 -4.97 135.00 132.36 1ot4 s PRO 18 Ca 0.46 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1ot4 s PRO 18 Cb -0.25 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 1ot4 s PRO 18 CO 0.31 -0.44 1.64 0.00 0.04 0.00 0.00 177.00 178.55 1ot4 h ALA 19 N 1.54 -0.57 -2.23 8.56 0.00 -1.95 -3.45 119.26 121.15 1ot4 h ALA 19 Ca -0.49 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1ot4 h ALA 19 Cb 1.22 0.41 -0.20 0.00 0.00 0.00 0.00 17.79 19.22 1ot4 h ALA 19 CO 0.59 -0.85 -0.01 -1.59 0.00 0.00 0.00 179.25 177.39 1ot4 s LYS 20 N -6.05 0.87 0.24 0.00 0.00 -1.26 -4.78 119.74 108.76 1ot4 s LYS 20 Ca -0.16 0.17 -0.20 0.00 0.00 0.00 0.00 55.97 55.77 1ot4 s LYS 20 Cb 0.07 0.40 -0.08 0.00 0.00 0.00 0.00 37.83 38.21 1ot4 s LYS 20 CO 0.64 -0.24 0.76 0.42 0.00 0.00 0.00 175.35 176.92 1ot4 s ILE 21 N -1.04 4.52 0.10 3.79 1.09 0.35 -4.86 121.20 125.15 1ot4 s ILE 21 Ca -0.10 1.35 0.09 0.00 -1.10 0.00 0.00 60.65 60.89 1ot4 s ILE 21 Cb -0.02 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1ot4 s ILE 21 CO 0.07 0.19 -0.20 -0.70 -0.10 0.00 0.00 174.94 174.19 1ot4 s GLU 22 N -2.02 1.75 -0.06 2.79 2.12 -0.38 -0.39 118.70 122.51 1ot4 s GLU 22 Ca 0.44 -1.18 -0.10 0.00 0.36 0.00 0.00 54.97 54.49 1ot4 s GLU 22 Cb -0.17 -2.08 0.02 0.00 0.26 0.00 0.00 34.13 32.17 1ot4 s GLU 22 CO 0.21 0.48 0.26 -0.51 -0.54 0.00 0.00 175.26 175.16 1ot4 s LEU 23 N -1.98 1.04 0.03 2.70 1.43 0.15 0.43 118.68 122.48 1ot4 s LEU 23 Ca 0.16 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1ot4 s LEU 23 Cb -0.10 0.97 -0.02 0.00 0.03 0.00 0.00 46.19 47.06 1ot4 s LEU 23 CO 0.08 -0.22 -0.07 -1.00 0.23 0.00 0.00 176.35 175.37 1ot4 s HIS 24 N -0.47 0.58 -0.25 0.29 3.76 0.24 -0.76 115.29 118.68 1ot4 s HIS 24 Ca -0.06 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.40 1ot4 s HIS 24 Cb -0.04 -0.35 0.13 0.00 1.11 0.00 0.00 32.58 33.43 1ot4 s HIS 24 CO 0.01 -0.07 0.50 -0.06 -0.85 0.00 0.00 174.74 174.27 1ot4 s PHE 25 N -1.06 -1.08 -1.44 1.40 0.40 -1.18 -3.24 117.98 111.77 1ot4 s PHE 25 Ca -0.07 1.62 0.18 0.00 -0.60 0.00 0.00 56.93 58.06 1ot4 s PHE 25 Cb -0.08 0.42 0.90 0.00 0.51 0.00 0.00 43.02 44.77 1ot4 s PHE 25 CO 0.00 -0.65 1.53 0.43 0.70 0.00 0.00 175.22 177.24 1ot4 n SER 26 N 5.41 0.00 -2.72 1.36 7.64 -1.26 -3.80 113.62 120.24 1ot4 n SER 26 Ca -0.07 0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 1ot4 n SER 26 Cb 0.50 -0.28 0.07 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.28 0.71 -0.03 1.43 4.07 -1.26 -5.03 120.64 119.24 1ot4 n GLU 27 Ca 0.09 -1.55 -0.02 0.00 -0.06 0.00 0.00 57.16 55.62 1ot4 n GLU 27 Cb 0.14 -1.02 -0.01 0.00 -0.06 0.00 0.00 31.44 30.49 1ot4 n GLU 27 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1ot4 h ASN 28 N 3.36 0.00 -6.46 4.31 -1.24 -1.89 -3.42 115.58 110.24 1ot4 h ASN 28 Ca -0.16 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.60 1ot4 h ASN 28 Cb 1.10 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.16 1ot4 h ASN 28 CO 0.16 0.33 -1.13 -0.11 -1.29 0.00 0.00 177.43 175.38 1ot4 n LEU 29 N -3.32 -2.85 0.00 0.34 7.94 -1.26 -3.88 117.00 113.97 1ot4 n LEU 29 Ca -0.03 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1ot4 n LEU 29 Cb 0.10 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.49 1ot4 n LEU 29 CO 0.04 -0.52 0.00 0.52 -1.11 0.00 0.00 177.39 176.32 1ot4 n VAL 30 N 0.37 0.00 -3.74 1.96 0.31 -1.26 -4.55 118.33 111.43 1ot4 n VAL 30 Ca -0.06 0.06 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1ot4 n VAL 30 Cb 0.61 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.00 -0.02 0.00 2.52 5.66 -1.26 -4.53 114.28 116.64 1ot4 n THR 31 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ot4 n THR 31 Cb 0.00 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 1ot4 n THR 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 n GLN 32 N -3.45 0.00 -0.85 1.09 3.00 -1.26 -5.05 117.38 110.86 1ot4 n GLN 32 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.01 1ot4 n GLN 32 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.66 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1ot4 n PHE 33 N -0.71 0.00 -3.05 1.08 3.72 -1.26 -5.14 117.46 112.10 1ot4 n PHE 33 Ca 0.00 -0.35 -0.33 0.00 -0.05 0.00 0.00 57.45 56.71 1ot4 n PHE 33 Cb 0.00 0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.71 6.86 0.00 4.37 0.15 -1.26 -4.90 113.70 118.21 1ot4 s SER 34 Ca 0.00 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1ot4 s SER 34 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ot4 s SER 34 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ot4 n GLY 35 N -0.26 0.86 3.30 9.45 0.00 0.08 -4.97 105.19 113.64 1ot4 n GLY 35 Ca 0.04 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 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 1.68 -0.23 4.61 0.00 -1.26 0.47 121.76 125.04 1ot4 s ALA 36 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.14 1ot4 s ALA 36 Cb 0.00 0.46 0.07 0.00 0.00 0.00 0.00 23.12 23.66 1ot4 s ALA 36 CO 0.00 -0.25 0.54 0.15 0.00 0.00 0.00 175.76 176.20 1ot4 s LYS 37 N -3.86 0.53 -0.24 0.00 1.02 0.14 -4.86 119.74 112.47 1ot4 s LYS 37 Ca 0.26 1.03 -0.17 0.00 0.02 0.00 0.00 55.97 57.12 1ot4 s LYS 37 Cb 0.05 0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 1ot4 s LYS 37 CO 0.07 -0.16 0.45 -1.17 -0.92 0.00 0.00 175.35 173.61 1ot4 s LEU 38 N 1.68 4.08 -0.06 3.17 2.96 -1.26 -1.43 118.68 127.82 1ot4 s LEU 38 Ca -0.09 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.34 1ot4 s LEU 38 Cb -0.07 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1ot4 s LEU 38 CO -0.16 -0.19 -0.20 0.68 -1.32 0.00 0.00 176.35 175.15 1ot4 s VAL 39 N 1.91 1.70 -0.74 1.68 -7.23 -1.14 -1.29 120.40 115.29 1ot4 s VAL 39 Ca 0.19 -0.85 -0.20 0.00 -1.81 0.00 0.00 61.98 59.31 1ot4 s VAL 39 Cb -0.15 -1.45 0.10 0.00 0.56 0.00 0.00 36.38 35.43 1ot4 s VAL 39 CO 0.09 0.48 0.96 -0.32 -0.31 0.00 0.00 175.10 176.00 1ot4 s MET 40 N 0.05 3.27 -0.73 4.82 1.75 0.11 -1.47 119.30 127.10 1ot4 s MET 40 Ca -0.06 -1.29 0.03 0.00 -1.25 0.00 0.00 55.69 53.12 1ot4 s MET 40 Cb -0.13 -4.47 0.33 0.00 2.84 0.00 0.00 34.83 33.40 1ot4 s MET 40 CO 0.04 -1.73 1.26 -2.37 -0.65 0.00 0.00 175.02 171.56 1ot4 n THR 41 N 5.65 4.12 -0.99 10.11 5.66 -1.08 -3.25 114.28 134.50 1ot4 n THR 41 Ca 0.05 -5.71 -0.36 0.00 -3.05 0.00 0.00 64.05 54.97 1ot4 n THR 41 Cb 0.46 -1.45 0.04 0.00 -1.55 0.00 0.00 70.33 67.83 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 n ALA 42 N -0.19 -5.40 -1.11 1.79 0.00 0.18 -4.61 120.51 111.17 1ot4 n ALA 42 Ca 0.37 -0.69 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 1ot4 n ALA 42 Cb 0.35 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1ot4 n ALA 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ot4 n MET 43 N 2.32 0.00 -1.06 0.00 2.81 -1.26 -4.90 117.12 115.02 1ot4 n MET 43 Ca -0.02 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.66 1ot4 n MET 43 Cb 0.56 -0.79 0.16 0.00 -0.71 0.00 0.00 33.22 32.44 1ot4 n MET 43 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1ot4 n PRO 44 N 0.82 -1.74 0.00 0.03 -0.04 -1.26 -4.81 135.00 128.00 1ot4 n PRO 44 Ca 0.14 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1ot4 n PRO 44 Cb 0.21 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1ot4 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ot4 n GLY 45 N -2.00 3.18 2.90 0.55 0.00 -1.26 -5.05 105.19 103.52 1ot4 n GLY 45 Ca 0.11 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1ot4 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ot4 s MET 46 N 0.00 1.26 -0.24 1.61 -1.94 -1.26 -4.90 119.30 113.82 1ot4 s MET 46 Ca 0.00 -1.40 -0.04 0.00 -1.71 0.00 0.00 55.69 52.54 1ot4 s MET 46 Cb 0.00 -2.65 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1ot4 s MET 46 CO 0.00 -0.88 0.13 -1.91 -0.01 0.00 0.00 175.02 172.35 1ot4 n GLU 47 N 4.55 -2.16 -2.53 2.03 2.13 -1.26 -4.85 120.64 118.54 1ot4 n GLU 47 Ca -0.02 1.93 -0.41 0.00 0.66 0.00 0.00 57.16 59.33 1ot4 n GLU 47 Cb 0.42 -4.13 -0.03 0.00 0.27 0.00 0.00 31.44 27.98 1ot4 n GLU 47 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1ot4 s HIS 48 N -1.44 2.54 -0.10 4.31 5.65 -1.26 -4.91 115.29 120.08 1ot4 s HIS 48 Ca 0.06 -0.92 -0.02 0.00 0.25 0.00 0.00 55.06 54.42 1ot4 s HIS 48 Cb -0.02 -4.67 0.04 0.00 -1.18 0.00 0.00 32.58 26.75 1ot4 s HIS 48 CO 0.54 -1.89 0.03 -1.12 -0.65 0.00 0.00 174.74 171.64 1ot4 s SER 49 N 4.99 1.89 0.39 9.88 0.01 -1.26 -5.13 113.70 124.46 1ot4 s SER 49 Ca 0.49 -0.28 -0.25 0.00 1.31 0.00 0.00 55.95 57.23 1ot4 s SER 49 Cb 0.01 -0.42 -0.09 0.00 0.21 0.00 0.00 66.02 65.73 1ot4 s SER 49 CO -0.05 -0.24 1.06 -2.16 0.41 0.00 0.00 173.24 172.25 1ot4 s PRO 50 N 1.99 4.21 -0.10 12.44 0.04 -1.26 -4.88 135.00 147.43 1ot4 s PRO 50 Ca 0.03 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1ot4 s PRO 50 Cb -0.14 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1ot4 s PRO 50 CO -0.06 -0.11 -0.21 -1.64 0.04 0.00 0.00 177.00 175.02 1ot4 s MET 51 N -2.38 2.75 0.28 4.56 -1.94 -1.20 -4.97 119.30 116.40 1ot4 s MET 51 Ca 0.56 -0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 53.48 1ot4 s MET 51 Cb -0.23 -2.14 -0.10 0.00 2.01 0.00 0.00 34.83 34.38 1ot4 s MET 51 CO 0.29 0.10 1.09 0.00 -0.01 0.00 0.00 175.02 176.50 1ot4 s ALA 52 N 0.52 3.40 0.55 3.03 0.00 -1.26 0.05 121.76 128.04 1ot4 s ALA 52 Ca -0.15 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1ot4 s ALA 52 Cb -0.17 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.70 1ot4 s ALA 52 CO 0.06 -0.14 0.76 0.54 0.00 0.00 0.00 175.76 176.97 1ot4 s VAL 53 N -1.18 2.46 -1.04 0.00 0.11 -0.41 -4.88 120.40 115.46 1ot4 s VAL 53 Ca 0.45 -0.89 -0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1ot4 s VAL 53 Cb -0.31 -2.57 0.29 0.00 -1.53 0.00 0.00 36.38 32.26 1ot4 s VAL 53 CO 0.40 0.00 1.95 2.29 -3.33 0.00 0.00 175.10 176.41 1ot4 n LYS 54 N -2.24 5.02 -2.92 1.54 2.85 -1.26 -4.87 118.16 116.27 1ot4 n LYS 54 Ca 0.12 -4.34 -0.19 0.00 -1.05 0.00 0.00 58.31 52.85 1ot4 n LYS 54 Cb 0.60 -2.47 0.04 0.00 -0.65 0.00 0.00 35.03 32.56 1ot4 n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ot4 s ALA 55 N -3.81 4.42 -0.05 0.58 0.00 -1.26 -2.91 121.76 118.73 1ot4 s ALA 55 Ca 0.43 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 1ot4 s ALA 55 Cb 0.22 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1ot4 s ALA 55 CO -0.16 -0.67 0.14 0.00 0.00 0.00 0.00 175.76 175.07 1ot4 s ALA 56 N -2.60 -0.35 -0.11 0.00 0.00 -0.92 -4.83 121.76 112.94 1ot4 s ALA 56 Ca 0.59 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 1ot4 s ALA 56 Cb -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1ot4 s ALA 56 CO 0.37 -0.07 0.45 0.54 0.00 0.00 0.00 175.76 177.05 1ot4 s VAL 57 N 0.11 5.19 -0.04 0.00 0.11 -1.26 -1.54 120.40 122.97 1ot4 s VAL 57 Ca -0.00 0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 59.93 1ot4 s VAL 57 Cb -0.01 -3.79 0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1ot4 s VAL 57 CO -0.00 0.35 0.08 -0.44 -3.33 0.00 0.00 175.10 171.76 1ot4 s SER 58 N 0.50 -0.06 0.89 3.54 0.01 0.10 -4.98 113.70 113.70 1ot4 s SER 58 Ca 0.25 0.17 -0.13 0.00 1.31 0.00 0.00 55.95 57.55 1ot4 s SER 58 Cb -0.15 0.12 0.13 0.00 0.21 0.00 0.00 66.02 66.33 1ot4 s SER 58 CO 0.10 -0.07 1.17 -0.83 0.41 0.00 0.00 173.24 174.01 1ot4 s GLY 59 N 0.48 1.60 -0.74 3.44 0.00 -1.26 0.57 107.32 111.40 1ot4 s GLY 59 Ca -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1ot4 s GLY 59 CO -0.02 -0.07 1.48 0.61 0.00 0.00 0.00 173.10 175.10 1ot4 n GLY 60 N -2.66 5.84 0.31 0.20 0.00 -0.53 -4.70 105.19 103.65 1ot4 n GLY 60 Ca 0.08 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.44 1ot4 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ot4 n GLY 61 N -0.30 2.43 3.88 -0.02 0.00 -1.26 -4.91 105.19 105.01 1ot4 n GLY 61 Ca 0.42 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1ot4 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ot4 s ASP 62 N 0.00 6.52 0.03 1.61 1.01 -1.26 -4.97 116.67 119.61 1ot4 s ASP 62 Ca 0.00 0.98 0.22 0.00 0.71 0.00 0.00 52.55 54.46 1ot4 s ASP 62 Cb 0.00 -2.25 0.93 0.00 1.01 0.00 0.00 42.92 42.60 1ot4 s ASP 62 CO 0.00 -0.29 1.71 -0.81 0.21 0.00 0.00 175.17 175.99 1ot4 n PRO 63 N -1.02 0.03 0.01 8.23 -0.04 -1.26 -2.57 135.00 138.38 1ot4 n PRO 63 Ca 0.01 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1ot4 n PRO 63 Cb 0.54 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 1ot4 n PRO 63 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ot4 h LYS 64 N 0.00 0.06 -5.63 0.54 2.10 -1.93 -3.43 116.57 108.28 1ot4 h LYS 64 Ca 0.00 -0.11 -0.60 0.00 -2.00 0.00 0.00 60.65 57.94 1ot4 h LYS 64 Cb 0.40 0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 31.67 1ot4 h LYS 64 CO 0.00 0.75 0.26 0.99 -2.00 0.00 0.00 179.45 179.45 1ot4 s THR 65 N -2.62 4.94 0.12 0.07 2.01 -1.06 -3.12 115.64 115.98 1ot4 s THR 65 Ca -0.06 1.29 0.06 0.00 0.31 0.00 0.00 61.69 63.30 1ot4 s THR 65 Cb 0.08 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1ot4 s THR 65 CO 0.82 0.01 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.71 1ot4 s MET 66 N 2.51 2.43 -0.18 4.92 -1.94 0.06 -1.45 119.30 125.65 1ot4 s MET 66 Ca 0.30 -0.97 -0.07 0.00 -1.71 0.00 0.00 55.69 53.24 1ot4 s MET 66 Cb -0.15 -2.44 0.08 0.00 2.01 0.00 0.00 34.83 34.33 1ot4 s MET 66 CO 0.08 0.50 0.39 0.08 -0.01 0.00 0.00 175.02 176.06 1ot4 s VAL 67 N -1.45 -0.51 -0.20 -6.03 1.01 0.19 0.31 120.40 113.73 1ot4 s VAL 67 Ca 0.26 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1ot4 s VAL 67 Cb -0.11 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1ot4 s VAL 67 CO 0.18 0.07 0.51 -0.63 0.00 0.00 0.00 175.10 175.23 1ot4 s ILE 68 N 2.39 5.11 -0.22 2.22 1.09 0.47 0.01 121.20 132.28 1ot4 s ILE 68 Ca -0.02 0.94 -0.02 0.00 -1.10 0.00 0.00 60.65 60.45 1ot4 s ILE 68 Cb -0.11 -3.83 0.06 0.00 -1.06 0.00 0.00 42.46 37.51 1ot4 s ILE 68 CO -0.12 0.19 0.02 -0.89 -0.10 0.00 0.00 174.94 174.03 1ot4 s THR 69 N 1.58 0.84 0.16 2.92 2.01 -0.59 -0.50 115.64 122.07 1ot4 s THR 69 Ca 0.24 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1ot4 s THR 69 Cb -0.15 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 70.97 1ot4 s THR 69 CO 0.10 -0.22 1.12 -2.16 -0.69 0.00 0.00 174.62 172.77 1ot4 s PRO 70 N 1.70 4.56 0.32 4.92 0.04 -1.26 -2.18 135.00 143.11 1ot4 s PRO 70 Ca -0.01 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.81 1ot4 s PRO 70 Cb -0.18 -3.28 0.56 0.00 0.04 0.00 0.00 34.50 31.64 1ot4 s PRO 70 CO -0.09 0.01 1.84 0.00 0.04 0.00 0.00 177.00 178.80 1ot4 h ALA 71 N 5.34 1.30 -2.64 8.56 0.00 -1.85 -3.43 119.26 126.54 1ot4 h ALA 71 Ca -0.44 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 53.67 1ot4 h ALA 71 Cb 1.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1ot4 h ALA 71 CO 0.74 0.47 -0.48 0.45 0.00 0.00 0.00 179.25 180.42 1ot4 s SER 72 N -6.76 6.27 -0.02 0.00 0.15 -1.26 -5.07 113.70 107.02 1ot4 s SER 72 Ca -0.07 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.44 1ot4 s SER 72 Cb 0.15 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 1ot4 s SER 72 CO 0.77 0.08 1.20 -2.16 1.20 0.00 0.00 173.24 174.33 1ot4 s PRO 73 N -3.09 4.38 -0.22 5.44 0.04 -1.26 -4.97 135.00 135.33 1ot4 s PRO 73 Ca 0.34 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1ot4 s PRO 73 Cb -0.11 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1ot4 s PRO 73 CO 0.28 -0.38 1.53 -0.51 0.04 0.00 0.00 177.00 177.95 1ot4 s LEU 74 N 1.85 3.95 0.59 -3.56 1.43 -1.26 -4.99 118.68 116.69 1ot4 s LEU 74 Ca 0.57 1.59 -0.02 0.00 -1.03 0.00 0.00 54.13 55.24 1ot4 s LEU 74 Cb -0.26 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1ot4 s LEU 74 CO 0.24 -1.16 0.85 0.42 0.23 0.00 0.00 176.35 176.94 1ot4 s THR 75 N 4.81 2.72 1.05 5.49 -4.23 -1.26 -4.58 115.64 119.64 1ot4 s THR 75 Ca 0.67 -0.48 -0.20 0.00 -1.18 0.00 0.00 61.69 60.50 1ot4 s THR 75 Cb -0.24 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 1ot4 s THR 75 CO 0.27 -0.06 -0.43 0.00 -0.54 0.00 0.00 174.62 173.86 1ot4 n ALA 76 N -2.52 -4.52 0.00 3.99 0.00 -1.26 -4.76 120.51 111.44 1ot4 n ALA 76 Ca 0.07 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1ot4 n ALA 76 Cb 0.60 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 2.48 0.37 2.82 0.00 0.00 0.37 -4.86 105.19 106.37 1ot4 n GLY 77 Ca 0.01 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.48 0.13 0.25 2.61 2.01 -1.26 -0.80 115.64 118.09 1ot4 s THR 78 Ca 0.00 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1ot4 s THR 78 Cb 0.00 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1ot4 s THR 78 CO 0.00 0.13 0.10 -0.31 -0.69 0.00 0.00 174.62 173.84 1ot4 s TYR 79 N 0.95 1.47 -0.14 4.92 1.51 -0.64 0.47 117.35 125.89 1ot4 s TYR 79 Ca -0.09 -1.20 -0.04 0.00 -1.01 0.00 0.00 57.07 54.73 1ot4 s TYR 79 Cb -0.13 -0.84 0.06 0.00 -0.11 0.00 0.00 41.96 40.95 1ot4 s TYR 79 CO -0.02 -0.37 0.18 0.21 -1.11 0.00 0.00 175.55 174.44 1ot4 s LYS 80 N -4.04 0.09 -0.33 -0.62 2.20 -0.54 -1.20 119.74 115.30 1ot4 s LYS 80 Ca 0.37 0.36 -0.23 0.00 -0.36 0.00 0.00 55.97 56.12 1ot4 s LYS 80 Cb 0.08 -0.79 0.00 0.00 -1.51 0.00 0.00 37.83 35.61 1ot4 s LYS 80 CO 0.13 -0.47 0.75 0.08 -0.36 0.00 0.00 175.35 175.47 1ot4 s VAL 81 N 2.29 4.81 -0.24 4.02 1.01 0.82 -2.90 120.40 130.21 1ot4 s VAL 81 Ca 0.04 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 1ot4 s VAL 81 Cb -0.14 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1ot4 s VAL 81 CO -0.08 -0.30 0.19 -1.81 0.00 0.00 0.00 175.10 173.09 1ot4 s ASP 82 N 1.72 6.15 0.25 3.32 1.11 -0.51 0.56 116.67 129.25 1ot4 s ASP 82 Ca 0.30 0.15 0.11 0.00 0.18 0.00 0.00 52.55 53.30 1ot4 s ASP 82 Cb -0.14 -2.12 -0.05 0.00 1.07 0.00 0.00 42.92 41.68 1ot4 s ASP 82 CO 0.14 0.04 -0.19 -1.66 1.18 0.00 0.00 175.17 174.69 1ot4 s TRP 83 N 1.12 2.35 -0.09 4.23 1.48 0.14 0.24 118.94 128.41 1ot4 s TRP 83 Ca 0.09 -0.32 -0.04 0.00 -1.06 0.00 0.00 56.10 54.77 1ot4 s TRP 83 Cb -0.14 -1.07 0.05 0.00 -1.16 0.00 0.00 33.47 31.15 1ot4 s TRP 83 CO 0.05 0.64 0.19 1.03 -4.06 0.00 0.00 176.95 174.80 1ot4 s ARG 84 N -3.25 0.08 -0.01 3.25 3.00 0.18 -0.75 118.95 121.45 1ot4 s ARG 84 Ca 0.27 0.58 0.01 0.00 0.00 0.00 0.00 55.73 56.59 1ot4 s ARG 84 Cb -0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 34.95 34.66 1ot4 s ARG 84 CO 0.14 -0.27 0.02 0.00 0.00 0.00 0.00 175.30 175.19 1ot4 s ALA 85 N 2.11 3.35 -0.14 2.13 0.00 0.12 -0.74 121.76 128.59 1ot4 s ALA 85 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 1ot4 s ALA 85 Cb -0.12 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.65 1ot4 s ALA 85 CO -0.07 0.65 0.07 0.08 0.00 0.00 0.00 175.76 176.49 1ot4 s VAL 86 N -1.09 0.04 -0.05 0.00 1.01 -1.26 -0.91 120.40 118.14 1ot4 s VAL 86 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1ot4 s VAL 86 Cb -0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1ot4 s VAL 86 CO 0.10 -0.12 0.17 -1.28 0.00 0.00 0.00 175.10 173.97 1ot4 h SER 87 N 8.39 -0.09 0.00 3.32 0.87 -1.80 -3.38 113.55 120.87 1ot4 h SER 87 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ot4 h SER 87 Cb 1.14 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1ot4 h SER 87 CO 0.26 0.20 0.00 -0.24 -0.53 0.00 0.00 176.83 176.52 1ot4 n SER 88 N -3.72 -0.67 -4.21 6.23 2.88 -1.26 -4.82 113.62 108.05 1ot4 n SER 88 Ca -0.01 0.47 -0.34 0.00 -1.33 0.00 0.00 58.87 57.65 1ot4 n SER 88 Cb 0.04 0.96 0.12 0.00 -0.75 0.00 0.00 64.21 64.59 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ot4 n ASP 89 N -2.89 -2.76 -3.36 -3.46 -0.08 -1.26 -4.74 116.55 98.00 1ot4 n ASP 89 Ca 0.00 -0.01 -0.39 0.00 -1.51 0.00 0.00 54.79 52.88 1ot4 n ASP 89 Cb 0.00 -0.86 -0.02 0.00 2.34 0.00 0.00 41.12 42.57 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1ot4 n THR 90 N -3.95 4.58 -3.18 5.18 -1.04 -1.26 -4.59 114.28 110.02 1ot4 n THR 90 Ca 0.01 -3.08 -0.04 0.00 -2.04 0.00 0.00 64.05 58.89 1ot4 n THR 90 Cb 0.64 -2.46 -0.02 0.00 -1.82 0.00 0.00 70.33 66.66 1ot4 n THR 90 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1ot4 s HIS 91 N 1.23 -1.33 0.51 -1.42 5.04 -1.26 -5.15 115.29 112.90 1ot4 s HIS 91 Ca 0.65 -0.17 -0.19 0.00 -1.54 0.00 0.00 55.06 53.81 1ot4 s HIS 91 Cb 0.18 0.13 -0.08 0.00 0.04 0.00 0.00 32.58 32.86 1ot4 s HIS 91 CO -0.07 -1.14 1.04 -1.25 -2.34 0.00 0.00 174.74 170.98 1ot4 s PRO 92 N 1.57 3.71 -0.36 2.88 0.04 -1.26 -4.76 135.00 136.81 1ot4 s PRO 92 Ca 0.19 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1ot4 s PRO 92 Cb -0.06 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.49 1ot4 s PRO 92 CO -0.06 -0.50 0.12 -1.50 0.04 0.00 0.00 177.00 175.10 1ot4 s ILE 93 N -2.08 3.12 0.45 0.56 1.10 -0.08 -5.00 121.20 119.27 1ot4 s ILE 93 Ca 0.66 -1.82 -0.03 0.00 -0.51 0.00 0.00 60.65 58.96 1ot4 s ILE 93 Cb -0.16 -3.03 -0.02 0.00 0.15 0.00 0.00 42.46 39.40 1ot4 s ILE 93 CO 0.23 -0.47 0.70 0.42 -2.11 0.00 0.00 174.94 173.72 1ot4 s THR 94 N 1.17 4.68 0.00 4.00 -4.23 -1.26 -0.70 115.64 119.30 1ot4 s THR 94 Ca 0.04 -0.15 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 1ot4 s THR 94 Cb -0.21 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 69.97 1ot4 s THR 94 CO -0.03 -0.63 0.87 -0.83 -0.54 0.00 0.00 174.62 173.46 1ot4 s GLY 95 N -4.12 -0.47 0.03 3.99 0.00 0.07 -4.94 107.32 101.88 1ot4 s GLY 95 Ca 0.46 0.99 -0.02 0.00 0.00 0.00 0.00 44.72 46.15 1ot4 s GLY 95 CO 0.41 0.33 0.01 -0.56 0.00 0.00 0.00 173.10 173.29 1ot4 s SER 96 N -2.49 0.29 -0.21 1.64 0.01 -1.26 0.23 113.70 111.91 1ot4 s SER 96 Ca 0.05 -0.64 -0.04 0.00 1.31 0.00 0.00 55.95 56.63 1ot4 s SER 96 Cb -0.01 0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.45 1ot4 s SER 96 CO -0.09 -0.44 0.08 -0.69 0.41 0.00 0.00 173.24 172.50 1ot4 s VAL 97 N -2.44 0.26 0.05 3.43 1.01 0.19 -4.94 120.40 117.96 1ot4 s VAL 97 Ca -0.07 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1ot4 s VAL 97 Cb -0.03 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 1ot4 s VAL 97 CO -0.04 -0.37 0.57 0.28 0.00 0.00 0.00 175.10 175.54 1ot4 s THR 98 N 1.97 4.80 -0.01 3.92 -1.32 -1.26 -0.13 115.64 123.61 1ot4 s THR 98 Ca 0.03 1.20 -0.16 0.00 -1.21 0.00 0.00 61.69 61.55 1ot4 s THR 98 Cb -0.17 -3.90 0.03 0.00 -1.51 0.00 0.00 72.50 66.95 1ot4 s THR 98 CO -0.15 0.52 0.33 0.72 -2.21 0.00 0.00 174.62 173.83 1ot4 s PHE 99 N -0.85 -0.20 0.32 9.09 -0.12 -0.34 0.22 117.98 126.09 1ot4 s PHE 99 Ca 0.29 0.29 0.07 0.00 -0.05 0.00 0.00 56.93 57.53 1ot4 s PHE 99 Cb -0.19 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1ot4 s PHE 99 CO 0.18 -0.41 0.31 0.15 -0.05 0.00 0.00 175.22 175.40 1ot4 s LYS 100 N -1.41 2.87 -0.05 1.99 1.02 0.12 -1.63 119.74 122.65 1ot4 s LYS 100 Ca -0.13 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 1ot4 s LYS 100 Cb -0.05 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1ot4 s LYS 100 CO 0.04 0.16 0.09 0.08 -0.92 0.00 0.00 175.35 174.80 1ot4 s VAL 101 N -2.24 -0.15 -0.38 3.17 1.01 0.02 -3.47 120.40 118.37 1ot4 s VAL 101 Ca 0.40 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1ot4 s VAL 101 Cb -0.07 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1ot4 s VAL 101 CO 0.27 0.16 0.60 0.29 0.00 0.00 0.00 175.10 176.42