#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 n PRO 2 N 0.00 0.75 -4.41 1.57 -0.04 -1.26 -4.72 135.00 126.89 1ot4 n PRO 2 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1ot4 n PRO 2 Cb 0.00 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 1ot4 n PRO 2 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ot4 s LYS 3 N -2.00 1.48 0.93 0.54 -2.85 -1.26 -4.43 119.74 112.16 1ot4 s LYS 3 Ca 0.34 -1.53 -0.11 0.00 -1.00 0.00 0.00 55.97 53.67 1ot4 s LYS 3 Cb 0.16 -1.71 0.12 0.00 -2.06 0.00 0.00 37.83 34.33 1ot4 s LYS 3 CO 0.27 0.36 0.95 1.47 0.10 0.00 0.00 175.35 178.50 1ot4 n LEU 4 N 0.14 2.36 0.00 2.77 -0.00 -1.26 -4.97 117.00 116.05 1ot4 n LEU 4 Ca -0.12 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1ot4 n LEU 4 Cb 0.57 -1.41 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1ot4 n LEU 4 CO 0.31 -2.55 0.16 0.52 -0.00 0.00 0.00 177.39 175.82 1ot4 n VAL 5 N -4.10 0.00 -4.10 1.47 0.31 -1.26 -4.90 118.33 105.75 1ot4 n VAL 5 Ca 0.11 0.82 -0.15 0.00 -0.01 0.00 0.00 64.34 65.10 1ot4 n VAL 5 Cb 0.52 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.12 1.08 0.21 4.52 0.01 -1.23 -5.05 113.70 111.13 1ot4 s SER 6 Ca 0.00 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.52 1ot4 s SER 6 Cb 0.00 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.27 1ot4 s SER 6 CO 0.00 -0.16 0.58 -0.94 0.41 0.00 0.00 173.24 173.14 1ot4 s SER 7 N -1.56 -0.31 -0.38 2.44 1.04 -1.26 1.00 113.70 114.66 1ot4 s SER 7 Ca -0.07 -0.45 0.12 0.00 0.48 0.00 0.00 55.95 56.03 1ot4 s SER 7 Cb -0.10 0.62 0.36 0.00 0.10 0.00 0.00 66.02 67.00 1ot4 s SER 7 CO 0.01 -1.12 0.77 0.41 0.98 0.00 0.00 173.24 174.29 1ot4 n THR 8 N -0.38 0.20 0.00 2.02 -1.04 0.17 -4.91 114.28 110.34 1ot4 n THR 8 Ca -0.09 -4.56 0.00 0.00 -2.04 0.00 0.00 64.05 57.35 1ot4 n THR 8 Cb 0.62 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.21 0.00 -2.14 -2.82 -0.04 -1.15 -1.43 135.00 127.63 1ot4 n PRO 9 Ca 0.24 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.87 1ot4 n PRO 9 Cb 0.65 -0.80 -0.00 0.00 -0.04 0.00 0.00 33.50 33.30 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 -1.04 -1.91 -1.33 0.55 0.00 -1.26 -4.51 120.51 111.01 1ot4 n ALA 10 Ca 0.00 -0.26 -0.55 0.00 0.00 0.00 0.00 53.44 52.63 1ot4 n ALA 10 Cb 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.35 0.13 -3.70 0.00 1.02 -1.26 0.90 120.64 117.38 1ot4 n GLU 11 Ca -0.15 0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.76 1ot4 n GLU 11 Cb 0.59 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 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 7.17 -0.45 3.55 0.62 0.00 0.19 -4.76 105.19 111.52 1ot4 n GLY 12 Ca 0.55 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.78 5.30 -0.19 1.61 0.01 0.26 -4.73 113.70 113.18 1ot4 s SER 13 Ca 0.50 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.67 1ot4 s SER 13 Cb -0.29 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.38 1ot4 s SER 13 CO 0.62 -2.45 -0.04 -1.61 0.41 0.00 0.00 173.24 170.17 1ot4 s GLU 14 N 6.92 3.51 0.00 12.44 2.02 -1.26 0.32 118.70 142.65 1ot4 s GLU 14 Ca 0.66 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1ot4 s GLU 14 Cb -0.10 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1ot4 s GLU 14 CO 0.13 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.83 1ot4 n GLY 15 N 4.19 4.06 3.54 -1.39 0.00 -1.20 -4.93 105.19 109.45 1ot4 n GLY 15 Ca -0.18 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.80 0.09 4.61 0.00 -1.25 -0.82 121.76 122.59 1ot4 s ALA 16 Ca 0.00 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.58 1ot4 s ALA 16 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 1ot4 s ALA 16 CO 0.00 -0.74 0.80 0.00 0.00 0.00 0.00 175.76 175.82 1ot4 s ALA 17 N -3.14 3.37 0.54 0.00 0.00 -1.26 -4.70 121.76 116.57 1ot4 s ALA 17 Ca 0.06 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 1ot4 s ALA 17 Cb -0.01 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1ot4 s ALA 17 CO -0.07 0.12 1.04 -1.25 0.00 0.00 0.00 175.76 175.60 1ot4 s PRO 18 N -0.39 3.58 0.13 0.00 0.04 -1.26 -4.97 135.00 132.14 1ot4 s PRO 18 Ca 0.39 1.26 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 1ot4 s PRO 18 Cb -0.22 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1ot4 s PRO 18 CO 0.25 -0.60 1.62 0.00 0.04 0.00 0.00 177.00 178.31 1ot4 h ALA 19 N 0.98 -0.44 -2.43 8.56 0.00 -1.96 -3.45 119.26 120.53 1ot4 h ALA 19 Ca -0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1ot4 h ALA 19 Cb 1.22 0.56 -0.17 0.00 0.00 0.00 0.00 17.79 19.40 1ot4 h ALA 19 CO 0.58 -0.82 -0.02 -1.59 0.00 0.00 0.00 179.25 177.41 1ot4 s LYS 20 N -6.01 0.96 0.19 0.00 -2.85 -1.26 -4.77 119.74 106.00 1ot4 s LYS 20 Ca -0.15 -0.18 -0.22 0.00 -1.00 0.00 0.00 55.97 54.41 1ot4 s LYS 20 Cb 0.09 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.22 1ot4 s LYS 20 CO 0.65 -0.33 0.74 0.42 0.10 0.00 0.00 175.35 176.94 1ot4 s ILE 21 N -2.10 4.49 0.13 3.79 1.09 0.68 -4.85 121.20 124.42 1ot4 s ILE 21 Ca -0.07 1.46 0.10 0.00 -1.10 0.00 0.00 60.65 61.03 1ot4 s ILE 21 Cb -0.01 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 1ot4 s ILE 21 CO 0.01 0.35 -0.20 -0.70 -0.10 0.00 0.00 174.94 174.30 1ot4 s GLU 22 N -1.61 1.70 -0.07 2.79 2.12 -0.51 -0.15 118.70 122.97 1ot4 s GLU 22 Ca 0.40 -1.25 -0.10 0.00 0.36 0.00 0.00 54.97 54.37 1ot4 s GLU 22 Cb -0.19 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.17 1ot4 s GLU 22 CO 0.23 0.46 0.26 -0.51 -0.54 0.00 0.00 175.26 175.16 1ot4 s LEU 23 N -2.21 1.02 0.10 2.70 1.43 0.86 0.44 118.68 123.02 1ot4 s LEU 23 Ca 0.18 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1ot4 s LEU 23 Cb -0.10 0.97 -0.04 0.00 0.03 0.00 0.00 46.19 47.05 1ot4 s LEU 23 CO 0.10 -0.21 -0.09 -1.00 0.23 0.00 0.00 176.35 175.37 1ot4 s HIS 24 N -0.39 1.03 -0.22 0.29 3.76 0.28 -1.11 115.29 118.94 1ot4 s HIS 24 Ca -0.05 -0.69 -0.07 0.00 -0.15 0.00 0.00 55.06 54.10 1ot4 s HIS 24 Cb -0.03 -0.57 0.10 0.00 1.11 0.00 0.00 32.58 33.19 1ot4 s HIS 24 CO 0.01 -0.02 0.46 -0.06 -0.85 0.00 0.00 174.74 174.28 1ot4 s PHE 25 N -2.61 -0.91 -1.53 1.40 0.08 -1.11 -3.58 117.98 109.72 1ot4 s PHE 25 Ca 0.06 1.59 0.21 0.00 0.12 0.00 0.00 56.93 58.92 1ot4 s PHE 25 Cb -0.02 0.36 1.11 0.00 -0.57 0.00 0.00 43.02 43.90 1ot4 s PHE 25 CO -0.01 -0.54 1.67 0.43 -0.10 0.00 0.00 175.22 176.67 1ot4 n SER 26 N 5.40 0.00 0.00 1.36 7.64 -1.26 -4.47 113.62 122.29 1ot4 n SER 26 Ca -0.08 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1ot4 n SER 26 Cb 0.49 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ot4 n GLU 27 N -1.24 0.00 0.06 1.43 -0.58 -1.26 -5.07 120.64 113.98 1ot4 n GLU 27 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1ot4 n GLU 27 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.02 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ot4 n ASN 28 N 0.00 -0.05 -3.17 1.62 5.15 -1.26 -4.96 115.26 112.60 1ot4 n ASN 28 Ca 0.00 0.19 -0.07 0.00 -0.60 0.00 0.00 54.58 54.10 1ot4 n ASN 28 Cb 0.00 0.15 0.01 0.00 -0.53 0.00 0.00 39.78 39.41 1ot4 n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ot4 n LEU 29 N -2.91 -4.16 0.00 1.20 -0.00 -1.26 -4.36 117.00 105.51 1ot4 n LEU 29 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 1ot4 n LEU 29 Cb 0.02 -1.89 0.00 0.00 -0.00 0.00 0.00 43.42 41.55 1ot4 n LEU 29 CO 0.00 -1.46 0.00 0.52 -0.00 0.00 0.00 177.39 176.45 1ot4 n VAL 30 N 0.91 0.00 -2.83 1.47 0.31 -1.22 -4.60 118.33 112.37 1ot4 n VAL 30 Ca -0.01 0.30 -0.09 0.00 -0.01 0.00 0.00 64.34 64.53 1ot4 n VAL 30 Cb 0.46 -0.96 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.00 0.00 2.52 5.66 -1.26 -4.52 114.28 116.68 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 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.68 0.00 -0.90 1.09 3.00 -1.26 -5.04 117.38 111.59 1ot4 n GLN 32 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 1ot4 n GLN 32 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.64 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 -0.66 0.00 -3.01 1.08 3.72 -1.26 -5.13 117.46 112.20 1ot4 n PHE 33 Ca 0.00 -0.40 -0.32 0.00 -0.05 0.00 0.00 57.45 56.68 1ot4 n PHE 33 Cb 0.00 0.45 -0.06 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.80 6.76 -0.01 4.37 0.15 -1.26 -4.85 113.70 118.06 1ot4 s SER 34 Ca 0.00 1.35 -0.04 0.00 0.70 0.00 0.00 55.95 57.96 1ot4 s SER 34 Cb 0.00 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1ot4 s SER 34 CO 0.00 -0.28 0.17 0.61 1.20 0.00 0.00 173.24 174.94 1ot4 n GLY 35 N -0.60 0.49 3.32 9.45 0.00 -0.17 -4.97 105.19 112.72 1ot4 n GLY 35 Ca 0.04 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.13 -0.51 -0.22 4.61 0.00 -1.26 0.55 121.76 123.79 1ot4 s ALA 36 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 1ot4 s ALA 36 Cb -0.00 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.90 1ot4 s ALA 36 CO -0.00 -0.63 0.53 0.15 0.00 0.00 0.00 175.76 175.81 1ot4 s LYS 37 N -3.87 0.52 -0.04 0.00 1.02 0.16 -4.82 119.74 112.71 1ot4 s LYS 37 Ca 0.08 1.01 -0.06 0.00 0.02 0.00 0.00 55.97 57.02 1ot4 s LYS 37 Cb 0.03 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 1ot4 s LYS 37 CO -0.07 -0.16 0.21 -1.17 -0.92 0.00 0.00 175.35 173.23 1ot4 s LEU 38 N 1.67 4.38 -0.01 3.17 2.96 -1.26 -0.87 118.68 128.72 1ot4 s LEU 38 Ca -0.09 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1ot4 s LEU 38 Cb -0.08 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1ot4 s LEU 38 CO -0.16 0.31 -0.04 0.68 -1.32 0.00 0.00 176.35 175.82 1ot4 s VAL 39 N -1.20 0.38 -0.70 1.68 -7.23 -1.13 -1.21 120.40 111.00 1ot4 s VAL 39 Ca 0.23 -0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 60.03 1ot4 s VAL 39 Cb -0.13 -0.34 0.11 0.00 0.56 0.00 0.00 36.38 36.58 1ot4 s VAL 39 CO 0.12 0.12 0.87 -0.32 -0.31 0.00 0.00 175.10 175.59 1ot4 s MET 40 N 0.09 3.23 -0.78 4.82 1.75 0.38 -1.28 119.30 127.50 1ot4 s MET 40 Ca -0.01 -1.39 0.02 0.00 -1.25 0.00 0.00 55.69 53.06 1ot4 s MET 40 Cb -0.04 -4.42 0.33 0.00 2.84 0.00 0.00 34.83 33.54 1ot4 s MET 40 CO -0.00 -1.64 1.34 -2.37 -0.65 0.00 0.00 175.02 171.69 1ot4 n THR 41 N 5.50 4.43 -0.27 10.11 5.66 -0.94 -2.59 114.28 136.17 1ot4 n THR 41 Ca 0.01 -5.76 -0.04 0.00 -3.05 0.00 0.00 64.05 55.21 1ot4 n THR 41 Cb 0.45 -1.48 0.02 0.00 -1.55 0.00 0.00 70.33 67.77 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 h ALA 42 N 3.56 0.04 -2.65 1.79 0.00 -1.67 -3.31 119.26 117.03 1ot4 h ALA 42 Ca 0.31 0.21 -0.72 0.00 0.00 0.00 0.00 54.91 54.71 1ot4 h ALA 42 Cb 0.43 0.87 -0.24 0.00 0.00 0.00 0.00 17.79 18.85 1ot4 h ALA 42 CO 0.98 -0.65 -0.46 -1.64 0.00 0.00 0.00 179.25 177.48 1ot4 s MET 43 N -5.98 2.86 0.34 0.00 -1.94 -1.26 -4.59 119.30 108.72 1ot4 s MET 43 Ca -0.14 -1.14 0.17 0.00 -1.71 0.00 0.00 55.69 52.87 1ot4 s MET 43 Cb 0.18 -3.87 0.45 0.00 2.01 0.00 0.00 34.83 33.60 1ot4 s MET 43 CO 0.70 -0.79 1.62 -1.00 -0.01 0.00 0.00 175.02 175.54 1ot4 h PRO 44 N 8.53 0.00 -3.14 2.03 0.13 -1.98 -3.34 132.00 134.23 1ot4 h PRO 44 Ca -0.26 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.18 1ot4 h PRO 44 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1ot4 h PRO 44 CO 0.73 0.44 3.51 0.41 -0.23 0.00 0.00 178.00 182.85 1ot4 n GLY 45 N 0.61 4.42 2.44 1.56 0.00 -1.26 -4.04 105.19 108.92 1ot4 n GLY 45 Ca 0.01 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 3.78 0.91 -2.30 1.61 2.81 -1.26 -4.94 117.12 117.74 1ot4 n MET 46 Ca 0.71 -2.66 -0.02 0.00 -1.81 0.00 0.00 57.70 53.92 1ot4 n MET 46 Cb 0.26 -1.38 -0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.70 -2.64 -2.96 0.03 2.13 -1.26 -1.96 120.64 114.69 1ot4 n GLU 47 Ca 0.16 0.09 -0.10 0.00 0.66 0.00 0.00 57.16 57.97 1ot4 n GLU 47 Cb 0.65 -4.54 0.01 0.00 0.27 0.00 0.00 31.44 27.82 1ot4 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ot4 n HIS 48 N -2.43 -3.19 -3.56 4.31 8.25 -1.26 -4.99 115.22 112.36 1ot4 n HIS 48 Ca -0.02 1.34 -0.27 0.00 -0.26 0.00 0.00 57.72 58.51 1ot4 n HIS 48 Cb 0.46 -3.42 -0.10 0.00 1.12 0.00 0.00 29.99 28.05 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ot4 n SER 49 N 0.14 1.20 -4.77 0.41 2.88 -0.83 -5.11 113.62 107.54 1ot4 n SER 49 Ca 0.04 -2.80 -0.39 0.00 -1.33 0.00 0.00 58.87 54.40 1ot4 n SER 49 Cb 0.38 -0.64 -0.04 0.00 -0.75 0.00 0.00 64.21 63.15 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ot4 s PRO 50 N -0.83 4.48 -0.40 -1.46 0.04 -1.26 -4.86 135.00 130.70 1ot4 s PRO 50 Ca 0.31 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1ot4 s PRO 50 Cb 0.03 -2.95 0.05 0.00 0.04 0.00 0.00 34.50 31.67 1ot4 s PRO 50 CO -0.16 0.10 0.25 -1.64 0.04 0.00 0.00 177.00 175.59 1ot4 s MET 51 N -1.82 2.76 0.44 4.56 -1.94 -1.07 -4.87 119.30 117.36 1ot4 s MET 51 Ca 0.49 -1.26 -0.24 0.00 -1.71 0.00 0.00 55.69 52.97 1ot4 s MET 51 Cb -0.28 -3.80 -0.10 0.00 2.01 0.00 0.00 34.83 32.66 1ot4 s MET 51 CO 0.35 -0.84 1.12 0.00 -0.01 0.00 0.00 175.02 175.65 1ot4 n ALA 52 N 4.99 0.67 -2.62 3.03 0.00 -1.26 0.14 120.51 125.47 1ot4 n ALA 52 Ca -0.11 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1ot4 n ALA 52 Cb 0.44 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.26 3.56 -0.88 0.00 0.11 -0.35 -4.75 120.40 116.83 1ot4 s VAL 53 Ca 0.64 -1.25 -0.25 0.00 -2.93 0.00 0.00 61.98 58.19 1ot4 s VAL 53 Cb -0.52 -2.70 0.02 0.00 -1.53 0.00 0.00 36.38 31.65 1ot4 s VAL 53 CO 0.56 0.07 1.54 -0.75 -3.33 0.00 0.00 175.10 173.19 1ot4 s LYS 54 N -2.37 3.20 0.31 1.54 2.20 -1.26 -4.73 119.74 118.63 1ot4 s LYS 54 Ca 0.23 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1ot4 s LYS 54 Cb -0.11 -4.90 -0.04 0.00 -1.51 0.00 0.00 37.83 31.27 1ot4 s LYS 54 CO 0.16 -2.46 0.15 0.00 -0.36 0.00 0.00 175.35 172.84 1ot4 s ALA 55 N 6.53 2.04 -0.01 3.13 0.00 -1.26 -2.89 121.76 129.29 1ot4 s ALA 55 Ca 0.50 -1.73 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1ot4 s ALA 55 Cb -0.05 1.10 0.01 0.00 0.00 0.00 0.00 23.12 24.18 1ot4 s ALA 55 CO 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 175.76 175.31 1ot4 s ALA 56 N -3.57 -0.05 -0.16 0.00 0.00 -1.10 -4.86 121.76 112.02 1ot4 s ALA 56 Ca 0.35 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 1ot4 s ALA 56 Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1ot4 s ALA 56 CO 0.17 -0.03 0.26 0.54 0.00 0.00 0.00 175.76 176.71 1ot4 s VAL 57 N 0.17 5.33 0.47 0.00 0.11 -1.26 -1.50 120.40 123.72 1ot4 s VAL 57 Ca -0.01 0.48 0.03 0.00 -2.93 0.00 0.00 61.98 59.55 1ot4 s VAL 57 Cb -0.02 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 1ot4 s VAL 57 CO -0.00 0.41 0.02 -0.44 -3.33 0.00 0.00 175.10 171.75 1ot4 s SER 58 N 0.39 4.06 -0.05 3.54 0.01 0.18 -4.98 113.70 116.86 1ot4 s SER 58 Ca 0.15 -1.54 -0.04 0.00 1.31 0.00 0.00 55.95 55.83 1ot4 s SER 58 Cb -0.13 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.29 1ot4 s SER 58 CO 0.03 -0.71 0.12 -0.83 0.41 0.00 0.00 173.24 172.26 1ot4 s GLY 59 N -3.83 -0.08 0.00 3.44 0.00 -1.26 -0.07 107.32 105.53 1ot4 s GLY 59 Ca 0.17 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1ot4 s GLY 59 CO 0.09 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.16 1ot4 n GLY 60 N 3.15 -3.02 0.38 0.20 0.00 0.13 -4.80 105.19 101.22 1ot4 n GLY 60 Ca -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.87 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 1.42 -2.77 -0.02 0.00 -2.02 -3.43 103.07 96.24 1ot4 h GLY 61 Ca 0.00 -0.53 -0.52 0.00 0.00 0.00 0.00 47.33 46.28 1ot4 h GLY 61 CO 0.00 0.52 -0.55 0.99 0.00 0.00 0.00 176.54 177.51 1ot4 s ASP 62 N -6.12 5.26 0.00 0.19 1.01 -1.26 -4.99 116.67 110.75 1ot4 s ASP 62 Ca -0.13 -0.38 0.24 0.00 0.71 0.00 0.00 52.55 52.99 1ot4 s ASP 62 Cb 0.18 -1.22 1.41 0.00 1.01 0.00 0.00 42.92 44.29 1ot4 s ASP 62 CO 0.82 -0.07 1.79 -0.81 0.21 0.00 0.00 175.17 177.12 1ot4 n PRO 63 N -1.13 0.71 0.04 8.23 -0.04 -1.26 -2.50 135.00 139.05 1ot4 n PRO 63 Ca -0.07 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 1ot4 n PRO 63 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.12 -5.42 0.54 2.10 -1.94 -3.22 116.57 108.74 1ot4 h LYS 64 Ca 0.00 -0.21 -0.62 0.00 -2.00 0.00 0.00 60.65 57.83 1ot4 h LYS 64 Cb 0.02 0.08 -0.12 0.00 -0.90 0.00 0.00 32.23 31.30 1ot4 h LYS 64 CO 0.00 0.93 0.07 0.99 -2.00 0.00 0.00 179.45 179.43 1ot4 s THR 65 N -2.63 5.02 0.15 0.07 2.01 -1.04 -2.75 115.64 116.46 1ot4 s THR 65 Ca -0.06 0.94 0.08 0.00 0.31 0.00 0.00 61.69 62.96 1ot4 s THR 65 Cb 0.08 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1ot4 s THR 65 CO 0.83 0.02 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.66 1ot4 s MET 66 N 2.43 2.15 -0.24 4.92 -1.94 -0.26 0.17 119.30 126.53 1ot4 s MET 66 Ca 0.23 -1.15 -0.03 0.00 -1.71 0.00 0.00 55.69 53.04 1ot4 s MET 66 Cb -0.15 -2.25 0.12 0.00 2.01 0.00 0.00 34.83 34.56 1ot4 s MET 66 CO 0.09 0.47 0.33 0.14 -0.01 0.00 0.00 175.02 176.04 1ot4 s VAL 67 N -1.52 -0.51 -0.17 -6.03 -7.23 0.90 -0.10 120.40 105.74 1ot4 s VAL 67 Ca 0.24 -0.11 -0.25 0.00 -1.81 0.00 0.00 61.98 60.05 1ot4 s VAL 67 Cb -0.10 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 1ot4 s VAL 67 CO 0.15 -0.17 0.80 -0.63 -0.31 0.00 0.00 175.10 174.95 1ot4 s ILE 68 N 2.47 4.90 -0.24 -0.62 1.09 0.78 -0.64 121.20 128.95 1ot4 s ILE 68 Ca 0.11 1.56 -0.02 0.00 -1.10 0.00 0.00 60.65 61.20 1ot4 s ILE 68 Cb -0.15 -4.11 0.08 0.00 -1.06 0.00 0.00 42.46 37.22 1ot4 s ILE 68 CO -0.16 0.04 0.07 -0.89 -0.10 0.00 0.00 174.94 173.90 1ot4 s THR 69 N 2.11 0.53 0.17 2.92 2.01 -0.56 -0.23 115.64 122.59 1ot4 s THR 69 Ca 0.37 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1ot4 s THR 69 Cb -0.16 -1.19 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 1ot4 s THR 69 CO 0.12 -0.41 1.12 -2.16 -0.69 0.00 0.00 174.62 172.60 1ot4 s PRO 70 N 1.83 4.57 0.27 4.92 0.04 -1.26 -2.70 135.00 142.67 1ot4 s PRO 70 Ca 0.03 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1ot4 s PRO 70 Cb -0.17 -3.27 0.37 0.00 0.04 0.00 0.00 34.50 31.46 1ot4 s PRO 70 CO -0.17 0.03 1.83 0.00 0.04 0.00 0.00 177.00 178.73 1ot4 h ALA 71 N 5.21 1.21 -2.63 8.56 0.00 -1.86 -3.43 119.26 126.32 1ot4 h ALA 71 Ca -0.44 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 53.72 1ot4 h ALA 71 Cb 1.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1ot4 h ALA 71 CO 0.73 0.56 -0.22 0.45 0.00 0.00 0.00 179.25 180.77 1ot4 s SER 72 N -6.53 6.55 0.01 0.00 0.15 -1.24 -5.05 113.70 107.60 1ot4 s SER 72 Ca -0.10 0.74 -0.30 0.00 0.70 0.00 0.00 55.95 56.98 1ot4 s SER 72 Cb 0.16 -2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 62.27 1ot4 s SER 72 CO 0.81 -0.01 1.19 -2.16 1.20 0.00 0.00 173.24 174.27 1ot4 s PRO 73 N -2.73 4.41 -0.18 5.44 0.04 -1.26 -4.97 135.00 135.74 1ot4 s PRO 73 Ca 0.44 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 1ot4 s PRO 73 Cb -0.12 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 1ot4 s PRO 73 CO 0.23 -0.32 1.54 -0.51 0.04 0.00 0.00 177.00 177.99 1ot4 s LEU 74 N 1.51 4.03 0.72 -3.56 1.43 -1.26 -4.99 118.68 116.56 1ot4 s LEU 74 Ca 0.57 1.73 -0.04 0.00 -1.03 0.00 0.00 54.13 55.36 1ot4 s LEU 74 Cb -0.27 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.52 1ot4 s LEU 74 CO 0.26 -1.09 1.00 0.42 0.23 0.00 0.00 176.35 177.17 1ot4 s THR 75 N 4.61 2.25 1.14 5.49 -4.23 -1.26 -4.69 115.64 118.95 1ot4 s THR 75 Ca 0.68 -0.44 -0.16 0.00 -1.18 0.00 0.00 61.69 60.58 1ot4 s THR 75 Cb -0.26 -2.81 0.23 0.00 1.34 0.00 0.00 72.50 71.00 1ot4 s THR 75 CO 0.26 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.82 1ot4 n ALA 76 N -2.89 -2.09 0.00 3.99 0.00 -1.26 -4.81 120.51 113.45 1ot4 n ALA 76 Ca 0.12 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1ot4 n ALA 76 Cb 0.60 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 2.23 0.23 2.94 0.00 0.00 -0.08 -4.85 105.19 105.66 1ot4 n GLY 77 Ca 0.07 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 0.04 0.10 2.61 2.01 -1.26 0.28 115.64 119.41 1ot4 s THR 78 Ca 0.00 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 1ot4 s THR 78 Cb 0.00 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 1ot4 s THR 78 CO 0.00 -0.16 0.15 -0.31 -0.69 0.00 0.00 174.62 173.61 1ot4 s TYR 79 N -0.48 0.36 -0.13 4.92 1.51 -0.52 -1.67 117.35 121.34 1ot4 s TYR 79 Ca -0.05 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.19 1ot4 s TYR 79 Cb -0.03 -0.17 0.05 0.00 -0.11 0.00 0.00 41.96 41.69 1ot4 s TYR 79 CO -0.00 -0.55 0.05 0.21 -1.11 0.00 0.00 175.55 174.15 1ot4 s LYS 80 N -3.92 0.33 0.37 -0.62 2.20 -0.40 -1.36 119.74 116.34 1ot4 s LYS 80 Ca 0.10 -0.04 -0.13 0.00 -0.36 0.00 0.00 55.97 55.54 1ot4 s LYS 80 Cb 0.05 -1.46 -0.08 0.00 -1.51 0.00 0.00 37.83 34.84 1ot4 s LYS 80 CO -0.07 -0.51 0.77 0.08 -0.36 0.00 0.00 175.35 175.26 1ot4 s VAL 81 N 2.03 4.71 -0.06 4.02 1.01 0.27 -2.82 120.40 129.56 1ot4 s VAL 81 Ca 0.02 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 1ot4 s VAL 81 Cb -0.15 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1ot4 s VAL 81 CO -0.07 -0.36 -0.02 -1.81 0.00 0.00 0.00 175.10 172.85 1ot4 s ASP 82 N -2.68 1.34 0.24 3.32 1.11 -0.05 0.41 116.67 120.36 1ot4 s ASP 82 Ca 0.53 -0.10 0.11 0.00 0.18 0.00 0.00 52.55 53.27 1ot4 s ASP 82 Cb -0.10 -0.44 -0.05 0.00 1.07 0.00 0.00 42.92 43.40 1ot4 s ASP 82 CO 0.24 -0.14 -0.15 -1.66 1.18 0.00 0.00 175.17 174.64 1ot4 s TRP 83 N 1.58 2.45 -0.15 4.23 1.48 0.21 0.39 118.94 129.13 1ot4 s TRP 83 Ca -0.01 -0.29 -0.04 0.00 -1.06 0.00 0.00 56.10 54.70 1ot4 s TRP 83 Cb -0.13 -1.13 0.07 0.00 -1.16 0.00 0.00 33.47 31.12 1ot4 s TRP 83 CO -0.04 0.60 0.23 1.03 -4.06 0.00 0.00 176.95 174.72 1ot4 s ARG 84 N -3.20 0.15 -0.06 3.25 3.00 0.19 -1.00 118.95 121.28 1ot4 s ARG 84 Ca 0.27 0.52 -0.04 0.00 0.00 0.00 0.00 55.73 56.48 1ot4 s ARG 84 Cb -0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 34.95 34.34 1ot4 s ARG 84 CO 0.15 -0.43 0.12 0.00 0.00 0.00 0.00 175.30 175.13 1ot4 s ALA 85 N 2.37 3.75 -0.27 2.13 0.00 0.14 -0.99 121.76 128.88 1ot4 s ALA 85 Ca 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1ot4 s ALA 85 Cb -0.13 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.26 1ot4 s ALA 85 CO -0.09 0.66 -0.03 0.08 0.00 0.00 0.00 175.76 176.38 1ot4 s VAL 86 N -1.12 1.78 1.26 0.00 1.01 -1.26 0.09 120.40 122.16 1ot4 s VAL 86 Ca 0.19 -1.59 -0.19 0.00 0.00 0.00 0.00 61.98 60.40 1ot4 s VAL 86 Cb -0.12 -2.09 0.29 0.00 0.00 0.00 0.00 36.38 34.46 1ot4 s VAL 86 CO 0.10 -0.25 0.66 -1.54 0.00 0.00 0.00 175.10 174.07 1ot4 n SER 87 N 4.54 -3.65 -2.29 3.32 3.41 -1.22 -4.65 113.62 113.09 1ot4 n SER 87 Ca -0.08 -0.66 -0.26 0.00 -0.26 0.00 0.00 58.87 57.61 1ot4 n SER 87 Cb 0.43 -0.90 0.01 0.00 -0.26 0.00 0.00 64.21 63.49 1ot4 n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ot4 n SER 88 N -3.81 6.82 0.00 4.04 3.41 -1.26 -4.37 113.62 118.45 1ot4 n SER 88 Ca 0.10 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 1ot4 n SER 88 Cb 0.48 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ot4 n ASP 89 N 0.19 0.00 0.00 4.04 -0.08 -1.26 -5.08 116.55 114.36 1ot4 n ASP 89 Ca 0.45 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1ot4 n ASP 89 Cb 0.55 0.25 0.00 0.00 2.34 0.00 0.00 41.12 44.25 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1ot4 n THR 90 N -2.12 0.00 -1.45 5.18 5.66 -1.26 -5.09 114.28 115.21 1ot4 n THR 90 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1ot4 n THR 90 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 1ot4 n THR 90 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1ot4 n HIS 91 N -1.24 0.52 -1.85 1.09 -0.00 -1.26 -4.72 115.22 107.76 1ot4 n HIS 91 Ca 0.00 0.36 -0.32 0.00 0.46 0.00 0.00 57.72 58.22 1ot4 n HIS 91 Cb 0.00 -2.24 0.03 0.00 -0.12 0.00 0.00 29.99 27.66 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1ot4 s PRO 92 N 8.62 3.19 -0.03 1.57 0.04 -1.26 -3.38 135.00 143.74 1ot4 s PRO 92 Ca 1.31 1.07 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1ot4 s PRO 92 Cb -1.20 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 31.34 1ot4 s PRO 92 CO 0.48 -0.90 -0.01 0.42 0.04 0.00 0.00 177.00 177.02 1ot4 s ILE 93 N -2.75 0.24 0.05 0.56 -1.09 0.11 -4.97 121.20 113.36 1ot4 s ILE 93 Ca 0.61 0.05 0.05 0.00 -2.23 0.00 0.00 60.65 59.13 1ot4 s ILE 93 Cb -0.15 -0.33 -0.02 0.00 -1.58 0.00 0.00 42.46 40.38 1ot4 s ILE 93 CO 0.45 0.16 -0.14 0.42 -1.23 0.00 0.00 174.94 174.60 1ot4 s THR 94 N 1.03 1.10 0.04 2.92 -4.23 -1.26 0.26 115.64 115.50 1ot4 s THR 94 Ca -0.10 -1.13 -0.27 0.00 -1.18 0.00 0.00 61.69 59.01 1ot4 s THR 94 Cb -0.14 -1.03 0.09 0.00 1.34 0.00 0.00 72.50 72.77 1ot4 s THR 94 CO -0.01 -0.10 0.80 -0.83 -0.54 0.00 0.00 174.62 173.93 1ot4 s GLY 95 N -1.41 -0.51 0.05 3.99 0.00 -0.17 -4.87 107.32 104.40 1ot4 s GLY 95 Ca -0.00 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.59 1ot4 s GLY 95 CO 0.02 0.30 -0.05 -0.56 0.00 0.00 0.00 173.10 172.80 1ot4 s SER 96 N -2.53 0.65 -0.20 1.64 0.01 -1.26 0.67 113.70 112.68 1ot4 s SER 96 Ca 0.03 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 1ot4 s SER 96 Cb -0.01 0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.38 1ot4 s SER 96 CO -0.10 -0.38 0.00 -0.69 0.41 0.00 0.00 173.24 172.49 1ot4 s VAL 97 N -2.44 0.85 0.11 3.43 1.01 0.17 -4.94 120.40 118.58 1ot4 s VAL 97 Ca -0.03 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1ot4 s VAL 97 Cb -0.03 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1ot4 s VAL 97 CO -0.03 -0.13 0.54 0.28 0.00 0.00 0.00 175.10 175.76 1ot4 s THR 98 N 1.72 4.84 -0.07 3.92 -1.32 -1.26 -0.57 115.64 122.90 1ot4 s THR 98 Ca -0.02 0.95 -0.27 0.00 -1.21 0.00 0.00 61.69 61.15 1ot4 s THR 98 Cb -0.17 -3.78 0.06 0.00 -1.51 0.00 0.00 72.50 67.09 1ot4 s THR 98 CO -0.07 0.38 0.60 0.72 -2.21 0.00 0.00 174.62 174.03 1ot4 s PHE 99 N -1.31 -0.57 0.40 9.09 -0.12 -0.46 0.55 117.98 125.56 1ot4 s PHE 99 Ca 0.33 1.03 0.08 0.00 -0.05 0.00 0.00 56.93 58.32 1ot4 s PHE 99 Cb -0.17 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 1ot4 s PHE 99 CO 0.18 -0.53 0.34 0.15 -0.05 0.00 0.00 175.22 175.31 1ot4 s LYS 100 N -1.01 2.54 -0.07 1.99 1.02 0.15 -1.44 119.74 122.91 1ot4 s LYS 100 Ca -0.10 -1.52 -0.03 0.00 0.02 0.00 0.00 55.97 54.34 1ot4 s LYS 100 Cb -0.02 -2.36 0.04 0.00 -0.52 0.00 0.00 37.83 34.98 1ot4 s LYS 100 CO 0.08 -0.12 0.16 0.08 -0.92 0.00 0.00 175.35 174.62 1ot4 s VAL 101 N -2.45 -0.11 -0.93 3.17 1.01 0.14 -3.28 120.40 117.96 1ot4 s VAL 101 Ca 0.46 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.73 1ot4 s VAL 101 Cb -0.03 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.14 1ot4 s VAL 101 CO 0.27 0.09 0.74 0.29 0.00 0.00 0.00 175.10 176.49