#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 4.55 0.02 -0.41 0.04 -1.26 -5.03 135.00 132.90 1ot4 s PRO 2 Ca 0.00 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1ot4 s PRO 2 Cb 0.00 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1ot4 s PRO 2 CO 0.00 -0.01 0.30 -1.59 0.04 0.00 0.00 177.00 175.74 1ot4 s LYS 3 N -0.06 0.76 1.11 4.56 -2.85 -1.26 -4.80 119.74 117.19 1ot4 s LYS 3 Ca 0.52 -0.39 -0.16 0.00 -1.00 0.00 0.00 55.97 54.93 1ot4 s LYS 3 Cb -0.30 0.33 0.15 0.00 -2.06 0.00 0.00 37.83 35.95 1ot4 s LYS 3 CO 0.34 -0.23 0.36 1.47 0.10 0.00 0.00 175.35 177.39 1ot4 n LEU 4 N 0.84 -1.62 0.00 2.77 -0.00 -1.26 -4.94 117.00 112.79 1ot4 n LEU 4 Ca -0.20 -0.06 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 1ot4 n LEU 4 Cb 0.58 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1ot4 n LEU 4 CO 0.21 -3.18 0.30 0.52 -0.00 0.00 0.00 177.39 175.25 1ot4 n VAL 5 N -4.46 0.00 -3.87 1.47 0.31 -1.25 -4.88 118.33 105.65 1ot4 n VAL 5 Ca 0.02 1.10 -0.11 0.00 -0.01 0.00 0.00 64.34 65.35 1ot4 n VAL 5 Cb 0.59 -1.99 -0.11 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 -2.23 -0.01 0.18 4.52 0.01 -1.15 -5.06 113.70 109.96 1ot4 s SER 6 Ca 0.00 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.00 1ot4 s SER 6 Cb 0.00 0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.49 1ot4 s SER 6 CO 0.00 -0.25 0.52 -0.94 0.41 0.00 0.00 173.24 172.98 1ot4 s SER 7 N -0.89 -0.32 -0.40 2.44 1.04 -1.26 0.78 113.70 115.09 1ot4 s SER 7 Ca -0.10 -0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.08 1ot4 s SER 7 Cb -0.06 0.57 0.36 0.00 0.10 0.00 0.00 66.02 66.99 1ot4 s SER 7 CO 0.01 -1.01 0.79 0.41 0.98 0.00 0.00 173.24 174.42 1ot4 n THR 8 N -0.33 0.52 0.00 2.02 -1.04 0.18 -4.92 114.28 110.72 1ot4 n THR 8 Ca -0.12 -4.65 0.00 0.00 -2.04 0.00 0.00 64.05 57.24 1ot4 n THR 8 Cb 0.63 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.15 0.00 -2.34 -2.82 -0.04 -1.10 -1.44 135.00 127.41 1ot4 n PRO 9 Ca 0.25 0.33 -0.03 0.00 -0.04 0.00 0.00 63.50 64.02 1ot4 n PRO 9 Cb 0.63 -0.96 -0.01 0.00 -0.04 0.00 0.00 33.50 33.12 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 -1.50 -2.07 -1.49 0.55 0.00 -1.26 -4.50 120.51 110.24 1ot4 n ALA 10 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1ot4 n ALA 10 Cb 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.42 0.25 -4.33 0.00 1.02 -1.26 -0.18 120.64 115.71 1ot4 n GLU 11 Ca -0.20 0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.57 1ot4 n GLU 11 Cb 0.61 -1.92 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 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 6.47 -0.39 3.56 0.62 0.00 0.18 -4.78 105.19 110.84 1ot4 n GLY 12 Ca 0.59 0.12 -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 -3.42 5.75 -0.17 1.61 0.15 0.74 -4.74 113.70 113.62 1ot4 s SER 13 Ca 0.68 -0.71 -0.05 0.00 0.70 0.00 0.00 55.95 56.57 1ot4 s SER 13 Cb -0.38 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.34 1ot4 s SER 13 CO 0.97 -2.15 -0.01 -1.61 1.20 0.00 0.00 173.24 171.63 1ot4 s GLU 14 N 6.18 3.73 0.00 5.44 2.02 -1.26 0.49 118.70 135.30 1ot4 s GLU 14 Ca 0.57 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1ot4 s GLU 14 Cb -0.06 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1ot4 s GLU 14 CO 0.02 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1ot4 n GLY 15 N 3.63 4.07 3.56 -1.39 0.00 -1.21 -4.91 105.19 108.94 1ot4 n GLY 15 Ca -0.17 -0.64 -0.07 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 -1.86 0.21 4.61 0.00 -1.24 -0.70 121.76 122.78 1ot4 s ALA 16 Ca 0.00 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1ot4 s ALA 16 Cb 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 23.12 23.40 1ot4 s ALA 16 CO 0.00 -0.74 0.97 0.00 0.00 0.00 0.00 175.76 175.99 1ot4 s ALA 17 N -3.00 3.32 1.02 0.00 0.00 -1.26 -4.64 121.76 117.20 1ot4 s ALA 17 Ca 0.07 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1ot4 s ALA 17 Cb -0.01 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.90 1ot4 s ALA 17 CO -0.07 0.10 0.17 -0.35 0.00 0.00 0.00 175.76 175.61 1ot4 n PRO 18 N 1.85 -0.74 -0.10 0.00 -0.04 -1.26 -5.03 135.00 129.68 1ot4 n PRO 18 Ca -0.01 -0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.02 1ot4 n PRO 18 Cb 0.47 -0.22 -0.08 0.00 -0.04 0.00 0.00 33.50 33.64 1ot4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 n ALA 19 N -3.19 0.70 -3.35 0.55 0.00 -1.26 -4.91 120.51 109.05 1ot4 n ALA 19 Ca -0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 1ot4 n ALA 19 Cb 0.08 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 1ot4 n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ot4 s LYS 20 N -2.35 0.92 0.10 0.00 -2.85 -1.26 -4.74 119.74 109.56 1ot4 s LYS 20 Ca -0.25 -0.05 -0.25 0.00 -1.00 0.00 0.00 55.97 54.42 1ot4 s LYS 20 Cb 0.05 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.18 1ot4 s LYS 20 CO 0.46 -0.29 0.76 0.42 0.10 0.00 0.00 175.35 176.79 1ot4 s ILE 21 N -1.64 4.56 0.09 3.79 1.09 0.48 -4.84 121.20 124.73 1ot4 s ILE 21 Ca -0.10 1.64 0.07 0.00 -1.10 0.00 0.00 60.65 61.17 1ot4 s ILE 21 Cb -0.02 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1ot4 s ILE 21 CO 0.04 0.45 -0.14 -0.70 -0.10 0.00 0.00 174.94 174.50 1ot4 s GLU 22 N -0.63 2.05 -0.06 2.79 2.12 -0.52 0.19 118.70 124.64 1ot4 s GLU 22 Ca 0.37 -1.03 -0.11 0.00 0.36 0.00 0.00 54.97 54.56 1ot4 s GLU 22 Cb -0.22 -2.24 0.02 0.00 0.26 0.00 0.00 34.13 31.95 1ot4 s GLU 22 CO 0.24 0.51 0.27 -0.51 -0.54 0.00 0.00 175.26 175.23 1ot4 s LEU 23 N -1.96 1.00 0.01 2.70 1.43 0.47 0.50 118.68 122.82 1ot4 s LEU 23 Ca 0.19 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1ot4 s LEU 23 Cb -0.11 1.01 -0.01 0.00 0.03 0.00 0.00 46.19 47.11 1ot4 s LEU 23 CO 0.10 -0.24 0.02 -1.00 0.23 0.00 0.00 176.35 175.47 1ot4 s HIS 24 N -0.50 0.14 -0.21 0.29 3.76 0.23 -0.89 115.29 118.12 1ot4 s HIS 24 Ca -0.06 -0.29 -0.12 0.00 -0.15 0.00 0.00 55.06 54.44 1ot4 s HIS 24 Cb -0.04 -0.11 0.07 0.00 1.11 0.00 0.00 32.58 33.61 1ot4 s HIS 24 CO 0.02 -0.16 0.51 -0.06 -0.85 0.00 0.00 174.74 174.20 1ot4 s PHE 25 N -1.06 -0.78 -0.80 1.40 0.40 -0.97 -2.93 117.98 113.23 1ot4 s PHE 25 Ca -0.12 1.61 0.18 0.00 -0.60 0.00 0.00 56.93 58.01 1ot4 s PHE 25 Cb -0.07 0.41 0.76 0.00 0.51 0.00 0.00 43.02 44.62 1ot4 s PHE 25 CO -0.00 -0.42 1.56 0.43 0.70 0.00 0.00 175.22 177.49 1ot4 n SER 26 N 4.32 0.26 -2.87 1.36 7.64 -1.26 -3.61 113.62 119.45 1ot4 n SER 26 Ca -0.22 0.56 -0.12 0.00 1.01 0.00 0.00 58.87 60.11 1ot4 n SER 26 Cb 0.56 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.78 0.96 0.00 1.43 2.13 -1.26 -5.05 120.64 117.07 1ot4 n GLU 27 Ca 0.03 -2.34 0.00 0.00 0.66 0.00 0.00 57.16 55.51 1ot4 n GLU 27 Cb 0.19 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.63 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ot4 n ASN 28 N 0.56 0.00 -3.31 4.31 5.15 -1.24 -4.39 115.26 116.35 1ot4 n ASN 28 Ca 0.12 0.21 -0.31 0.00 -0.60 0.00 0.00 54.58 54.00 1ot4 n ASN 28 Cb 0.67 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.95 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ot4 n LEU 29 N -0.23 -2.49 0.00 1.20 7.94 -1.26 -4.05 117.00 118.10 1ot4 n LEU 29 Ca 0.00 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1ot4 n LEU 29 Cb 0.00 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.46 1ot4 n LEU 29 CO 0.00 -0.22 0.00 0.52 -1.11 0.00 0.00 177.39 176.58 1ot4 n VAL 30 N 0.07 0.00 -4.06 1.96 0.31 -1.26 -4.39 118.33 110.96 1ot4 n VAL 30 Ca -0.07 0.05 -0.29 0.00 -0.01 0.00 0.00 64.34 64.02 1ot4 n VAL 30 Cb 0.62 -0.82 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 1ot4 n VAL 30 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ot4 n THR 31 N 0.00 -2.26 0.00 2.52 -1.04 -1.26 -4.69 114.28 107.55 1ot4 n THR 31 Ca 0.00 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1ot4 n THR 31 Cb 0.00 -2.27 0.00 0.00 -1.82 0.00 0.00 70.33 66.24 1ot4 n THR 31 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1ot4 n GLN 32 N -4.42 0.00 -0.77 -2.82 -0.06 -1.26 -5.03 117.38 103.02 1ot4 n GLN 32 Ca -0.17 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.79 1ot4 n GLN 32 Cb 0.62 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.76 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 -0.90 0.00 -3.09 3.69 3.72 -1.26 -5.13 117.46 114.49 1ot4 n PHE 33 Ca 0.00 -0.28 -0.35 0.00 -0.05 0.00 0.00 57.45 56.77 1ot4 n PHE 33 Cb 0.00 0.39 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.57 6.98 0.00 4.37 0.15 -1.26 -4.86 113.70 118.51 1ot4 s SER 34 Ca 0.00 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.05 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 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1ot4 n GLY 35 N 0.35 -0.62 3.38 9.45 0.00 0.21 -4.93 105.19 113.03 1ot4 n GLY 35 Ca -0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.00 -1.28 -0.22 4.61 0.00 -1.26 0.03 121.76 122.64 1ot4 s ALA 36 Ca 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 1ot4 s ALA 36 Cb 0.00 0.25 0.09 0.00 0.00 0.00 0.00 23.12 23.45 1ot4 s ALA 36 CO 0.00 -0.43 0.51 0.15 0.00 0.00 0.00 175.76 175.99 1ot4 s LYS 37 N -2.01 0.47 -0.11 0.00 1.02 0.14 -4.91 119.74 114.35 1ot4 s LYS 37 Ca -0.08 1.08 -0.14 0.00 0.02 0.00 0.00 55.97 56.86 1ot4 s LYS 37 Cb -0.01 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.54 1ot4 s LYS 37 CO 0.02 -0.19 0.32 -1.17 -0.92 0.00 0.00 175.35 173.41 1ot4 s LEU 38 N 2.10 4.33 -0.05 3.17 2.96 -1.26 -0.91 118.68 129.02 1ot4 s LEU 38 Ca -0.07 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 1ot4 s LEU 38 Cb -0.09 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.18 1ot4 s LEU 38 CO -0.15 0.19 -0.11 0.68 -1.32 0.00 0.00 176.35 175.63 1ot4 s VAL 39 N -0.13 1.03 -0.78 1.68 -7.23 -0.45 -0.82 120.40 113.70 1ot4 s VAL 39 Ca 0.19 -0.45 -0.21 0.00 -1.81 0.00 0.00 61.98 59.71 1ot4 s VAL 39 Cb -0.14 -0.93 0.10 0.00 0.56 0.00 0.00 36.38 35.96 1ot4 s VAL 39 CO 0.07 0.32 1.03 -0.32 -0.31 0.00 0.00 175.10 175.89 1ot4 s MET 40 N 0.48 3.33 -0.80 4.82 1.75 0.22 -0.53 119.30 128.56 1ot4 s MET 40 Ca -0.10 -1.27 0.02 0.00 -1.25 0.00 0.00 55.69 53.10 1ot4 s MET 40 Cb -0.13 -4.56 0.31 0.00 2.84 0.00 0.00 34.83 33.30 1ot4 s MET 40 CO 0.02 -1.79 1.26 -2.37 -0.65 0.00 0.00 175.02 171.49 1ot4 n THR 41 N 5.75 4.22 -0.47 10.11 5.66 -0.81 -3.34 114.28 135.40 1ot4 n THR 41 Ca 0.09 -5.70 -0.18 0.00 -3.05 0.00 0.00 64.05 55.20 1ot4 n THR 41 Cb 0.47 -1.66 0.17 0.00 -1.55 0.00 0.00 70.33 67.76 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 0.21 -1.05 -0.96 1.79 0.00 -0.58 -4.56 120.51 115.36 1ot4 n ALA 42 Ca 0.35 -1.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.33 1ot4 n ALA 42 Cb 0.34 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.36 0.00 -2.34 0.00 2.81 -1.26 -4.74 117.12 109.22 1ot4 n MET 43 Ca 0.07 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.54 1ot4 n MET 43 Cb 0.36 -0.89 -0.02 0.00 -0.71 0.00 0.00 33.22 31.96 1ot4 n MET 43 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ot4 s PRO 44 N -1.50 3.42 0.00 0.03 0.04 -1.26 -4.71 135.00 131.02 1ot4 s PRO 44 Ca 0.41 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1ot4 s PRO 44 Cb -0.25 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1ot4 s PRO 44 CO 0.69 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1ot4 n GLY 45 N 5.19 0.00 2.82 0.56 0.00 -1.26 -4.89 105.19 107.61 1ot4 n GLY 45 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.66 4.44 -4.21 1.61 2.81 -1.26 -4.80 117.12 113.05 1ot4 n MET 46 Ca 0.00 -4.63 -0.32 0.00 -1.81 0.00 0.00 57.70 50.94 1ot4 n MET 46 Cb 0.31 -2.45 -0.07 0.00 -0.71 0.00 0.00 33.22 30.31 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 0.73 -1.22 -3.07 0.03 2.13 -1.26 -2.70 120.64 115.28 1ot4 n GLU 47 Ca 0.33 0.15 -0.06 0.00 0.66 0.00 0.00 57.16 58.24 1ot4 n GLU 47 Cb 0.32 -3.59 0.01 0.00 0.27 0.00 0.00 31.44 28.45 1ot4 n GLU 47 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1ot4 n HIS 48 N -4.62 -1.82 -3.89 4.31 1.44 -1.26 -4.96 115.22 104.41 1ot4 n HIS 48 Ca -0.29 0.79 -0.30 0.00 -2.01 0.00 0.00 57.72 55.91 1ot4 n HIS 48 Cb 0.68 -2.24 -0.14 0.00 0.12 0.00 0.00 29.99 28.40 1ot4 n HIS 48 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1ot4 s SER 49 N -1.37 4.29 0.68 4.39 0.01 -1.10 -5.09 113.70 115.51 1ot4 s SER 49 Ca 0.07 -2.45 -0.12 0.00 1.31 0.00 0.00 55.95 54.77 1ot4 s SER 49 Cb -0.01 -1.40 -0.00 0.00 0.21 0.00 0.00 66.02 64.82 1ot4 s SER 49 CO 0.41 -0.32 1.06 -2.16 0.41 0.00 0.00 173.24 172.64 1ot4 s PRO 50 N 0.52 3.02 -0.13 12.44 0.04 -1.26 -4.84 135.00 144.79 1ot4 s PRO 50 Ca 0.14 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1ot4 s PRO 50 Cb -0.22 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1ot4 s PRO 50 CO -0.06 -1.03 0.31 -1.64 0.04 0.00 0.00 177.00 174.61 1ot4 s MET 51 N -4.89 0.29 0.38 4.56 -1.94 -1.21 -4.97 119.30 111.51 1ot4 s MET 51 Ca 0.59 0.61 -0.26 0.00 -1.71 0.00 0.00 55.69 54.91 1ot4 s MET 51 Cb -0.14 -0.06 -0.09 0.00 2.01 0.00 0.00 34.83 36.55 1ot4 s MET 51 CO 0.52 -0.15 1.23 0.00 -0.01 0.00 0.00 175.02 176.61 1ot4 s ALA 52 N 1.19 3.26 0.27 3.03 0.00 -1.26 0.68 121.76 128.93 1ot4 s ALA 52 Ca -0.08 1.09 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1ot4 s ALA 52 Cb -0.09 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1ot4 s ALA 52 CO -0.09 -0.61 0.35 0.54 0.00 0.00 0.00 175.76 175.95 1ot4 s VAL 53 N -1.30 4.78 -1.09 0.00 0.11 -0.00 -4.82 120.40 118.08 1ot4 s VAL 53 Ca 0.55 -1.08 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1ot4 s VAL 53 Cb -0.35 -3.65 0.09 0.00 -1.53 0.00 0.00 36.38 30.95 1ot4 s VAL 53 CO 0.44 -0.29 1.43 -0.54 -3.33 0.00 0.00 175.10 172.81 1ot4 s LYS 54 N -4.00 3.76 0.40 1.54 1.02 -1.26 -4.79 119.74 116.41 1ot4 s LYS 54 Ca 0.37 -1.72 0.03 0.00 0.02 0.00 0.00 55.97 54.67 1ot4 s LYS 54 Cb -0.09 -5.24 -0.04 0.00 -0.52 0.00 0.00 37.83 31.95 1ot4 s LYS 54 CO 0.29 -2.04 0.08 0.00 -0.92 0.00 0.00 175.35 172.76 1ot4 s ALA 55 N 3.67 2.99 0.02 5.17 0.00 -1.26 -2.31 121.76 130.04 1ot4 s ALA 55 Ca 0.44 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1ot4 s ALA 55 Cb -0.01 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 1ot4 s ALA 55 CO -0.04 -0.26 0.01 0.00 0.00 0.00 0.00 175.76 175.47 1ot4 s ALA 56 N -3.14 0.05 -0.19 0.00 0.00 -0.99 -4.85 121.76 112.63 1ot4 s ALA 56 Ca 0.25 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1ot4 s ALA 56 Cb 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1ot4 s ALA 56 CO 0.13 -0.20 -0.02 0.14 0.00 0.00 0.00 175.76 175.82 1ot4 s VAL 57 N -1.71 3.85 -0.03 0.00 -7.23 -1.26 -1.30 120.40 112.72 1ot4 s VAL 57 Ca -0.13 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1ot4 s VAL 57 Cb -0.08 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1ot4 s VAL 57 CO -0.01 0.44 0.07 -0.44 -0.31 0.00 0.00 175.10 174.84 1ot4 s SER 58 N 0.92 -0.01 0.53 4.85 0.01 -0.30 -4.99 113.70 114.70 1ot4 s SER 58 Ca 0.01 0.13 -0.17 0.00 1.31 0.00 0.00 55.95 57.22 1ot4 s SER 58 Cb -0.14 0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.06 1ot4 s SER 58 CO 0.02 -0.10 1.00 -0.83 0.41 0.00 0.00 173.24 173.73 1ot4 s GLY 59 N 0.80 2.10 0.00 3.44 0.00 -1.26 0.39 107.32 112.79 1ot4 s GLY 59 Ca -0.06 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1ot4 s GLY 59 CO -0.03 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1ot4 n GLY 60 N -1.38 -0.10 0.27 0.20 0.00 -0.04 -4.78 105.19 99.36 1ot4 n GLY 60 Ca 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 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 0.71 -4.22 -0.02 0.00 -1.98 -3.43 103.07 94.13 1ot4 h GLY 61 Ca 0.00 -0.48 -0.60 0.00 0.00 0.00 0.00 47.33 46.25 1ot4 h GLY 61 CO 0.00 0.44 -0.56 0.99 0.00 0.00 0.00 176.54 177.41 1ot4 s ASP 62 N -6.71 5.68 0.31 0.19 1.01 -1.26 -5.00 116.67 110.89 1ot4 s ASP 62 Ca -0.08 -0.02 0.26 0.00 0.71 0.00 0.00 52.55 53.42 1ot4 s ASP 62 Cb 0.15 -1.55 0.89 0.00 1.01 0.00 0.00 42.92 43.42 1ot4 s ASP 62 CO 0.79 0.11 1.76 1.55 0.21 0.00 0.00 175.17 179.60 1ot4 h PRO 63 N 2.76 0.00 -0.13 8.23 0.13 -1.96 -2.40 132.00 138.63 1ot4 h PRO 63 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ot4 h PRO 63 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ot4 h PRO 63 CO 0.66 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.79 1ot4 n LYS 64 N -2.49 1.65 -4.31 0.86 2.85 -1.26 -4.72 118.16 110.74 1ot4 n LYS 64 Ca 0.03 -0.97 -0.33 0.00 -1.05 0.00 0.00 58.31 55.99 1ot4 n LYS 64 Cb 0.35 -1.40 -0.16 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.84 2.33 0.04 0.58 2.01 -0.90 -2.30 115.64 115.56 1ot4 s THR 65 Ca 0.33 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1ot4 s THR 65 Cb 0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1ot4 s THR 65 CO 0.27 0.52 0.13 -0.32 -0.69 0.00 0.00 174.62 174.53 1ot4 s MET 66 N 1.10 3.15 -0.22 4.92 1.75 -0.07 -0.86 119.30 129.07 1ot4 s MET 66 Ca 0.00 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 53.89 1ot4 s MET 66 Cb -0.14 -2.89 0.10 0.00 2.84 0.00 0.00 34.83 34.73 1ot4 s MET 66 CO -0.07 0.61 0.22 0.08 -0.65 0.00 0.00 175.02 175.22 1ot4 s VAL 67 N -1.35 -0.31 -0.15 10.11 1.01 0.16 -0.40 120.40 129.46 1ot4 s VAL 67 Ca 0.29 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1ot4 s VAL 67 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1ot4 s VAL 67 CO 0.21 -0.27 0.73 -0.63 0.00 0.00 0.00 175.10 175.14 1ot4 s ILE 68 N 2.31 4.97 -0.22 2.22 1.09 0.13 -1.15 121.20 130.56 1ot4 s ILE 68 Ca 0.07 1.44 -0.01 0.00 -1.10 0.00 0.00 60.65 61.04 1ot4 s ILE 68 Cb -0.16 -4.05 0.06 0.00 -1.06 0.00 0.00 42.46 37.26 1ot4 s ILE 68 CO -0.16 0.11 0.00 -0.89 -0.10 0.00 0.00 174.94 173.91 1ot4 s THR 69 N 1.73 0.94 0.16 2.92 2.01 -0.42 -0.38 115.64 122.60 1ot4 s THR 69 Ca 0.35 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1ot4 s THR 69 Cb -0.17 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 70.90 1ot4 s THR 69 CO 0.13 -0.19 1.12 -2.16 -0.69 0.00 0.00 174.62 172.83 1ot4 s PRO 70 N 1.66 4.56 0.52 4.92 0.04 -1.26 -2.35 135.00 143.09 1ot4 s PRO 70 Ca -0.02 1.75 0.30 0.00 0.04 0.00 0.00 61.00 63.07 1ot4 s PRO 70 Cb -0.18 -3.28 1.27 0.00 0.04 0.00 0.00 34.50 32.35 1ot4 s PRO 70 CO -0.08 0.01 1.96 0.00 0.04 0.00 0.00 177.00 178.93 1ot4 h ALA 71 N 5.31 1.04 -3.32 8.56 0.00 -1.79 -3.43 119.26 125.62 1ot4 h ALA 71 Ca -0.44 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.74 1ot4 h ALA 71 Cb 1.21 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 1ot4 h ALA 71 CO 0.74 0.11 -0.75 -1.12 0.00 0.00 0.00 179.25 178.22 1ot4 s SER 72 N -5.88 4.13 0.13 0.00 0.01 -1.24 -5.10 113.70 105.75 1ot4 s SER 72 Ca 0.00 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1ot4 s SER 72 Cb 0.10 -0.66 -0.07 0.00 0.21 0.00 0.00 66.02 65.60 1ot4 s SER 72 CO 0.57 0.14 1.14 -2.16 0.41 0.00 0.00 173.24 173.34 1ot4 s PRO 73 N -2.51 4.52 -0.27 12.44 0.04 -1.26 -4.98 135.00 142.99 1ot4 s PRO 73 Ca 0.22 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1ot4 s PRO 73 Cb -0.10 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ot4 s PRO 73 CO 0.13 -0.07 1.30 -0.51 0.04 0.00 0.00 177.00 177.89 1ot4 s LEU 74 N 0.19 3.94 0.66 -3.56 1.43 -1.26 -5.01 118.68 115.08 1ot4 s LEU 74 Ca 0.53 1.31 -0.07 0.00 -1.03 0.00 0.00 54.13 54.87 1ot4 s LEU 74 Cb -0.29 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1ot4 s LEU 74 CO 0.33 -1.01 0.98 0.42 0.23 0.00 0.00 176.35 177.30 1ot4 s THR 75 N 4.20 2.95 1.03 5.49 -4.23 -1.26 -4.61 115.64 119.22 1ot4 s THR 75 Ca 0.56 -0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 1ot4 s THR 75 Cb -0.18 -3.24 0.05 0.00 1.34 0.00 0.00 72.50 70.48 1ot4 s THR 75 CO 0.21 -0.26 0.10 0.00 -0.54 0.00 0.00 174.62 174.13 1ot4 n ALA 76 N -2.81 -3.56 0.00 3.99 0.00 -1.26 -4.73 120.51 112.15 1ot4 n ALA 76 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1ot4 n ALA 76 Cb 0.59 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.90 0.27 3.03 0.00 0.00 0.14 -4.84 105.19 105.69 1ot4 n GLY 77 Ca 0.03 -2.02 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.24 0.77 0.08 2.61 2.01 -1.26 0.05 115.64 119.66 1ot4 s THR 78 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1ot4 s THR 78 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1ot4 s THR 78 CO 0.00 0.22 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.81 1ot4 s TYR 79 N -0.12 0.73 -0.12 4.92 1.51 -0.41 -1.52 117.35 122.35 1ot4 s TYR 79 Ca 0.02 -1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 55.05 1ot4 s TYR 79 Cb -0.05 -0.46 0.03 0.00 -0.11 0.00 0.00 41.96 41.37 1ot4 s TYR 79 CO -0.00 -0.29 -0.02 0.21 -1.11 0.00 0.00 175.55 174.34 1ot4 s LYS 80 N -3.90 0.97 -0.56 -0.62 2.20 0.31 -1.27 119.74 116.88 1ot4 s LYS 80 Ca 0.11 -0.17 -0.17 0.00 -0.36 0.00 0.00 55.97 55.38 1ot4 s LYS 80 Cb 0.07 -1.48 0.11 0.00 -1.51 0.00 0.00 37.83 35.02 1ot4 s LYS 80 CO -0.06 -0.37 0.58 0.08 -0.36 0.00 0.00 175.35 175.22 1ot4 s VAL 81 N 1.84 5.04 -0.13 4.02 1.01 -0.26 -1.34 120.40 130.58 1ot4 s VAL 81 Ca 0.03 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 60.56 1ot4 s VAL 81 Cb -0.14 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1ot4 s VAL 81 CO -0.07 -0.96 0.72 -1.81 0.00 0.00 0.00 175.10 172.98 1ot4 s ASP 82 N 3.52 6.90 0.19 3.32 1.01 -0.09 0.19 116.67 131.72 1ot4 s ASP 82 Ca 0.07 1.10 0.08 0.00 0.71 0.00 0.00 52.55 54.51 1ot4 s ASP 82 Cb -0.27 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1ot4 s ASP 82 CO 0.05 -0.23 -0.16 -1.66 0.21 0.00 0.00 175.17 173.38 1ot4 s TRP 83 N 1.43 1.80 -0.06 4.23 1.48 0.34 0.28 118.94 128.44 1ot4 s TRP 83 Ca 0.35 -0.51 -0.03 0.00 -1.06 0.00 0.00 56.10 54.86 1ot4 s TRP 83 Cb -0.17 -0.85 0.04 0.00 -1.16 0.00 0.00 33.47 31.33 1ot4 s TRP 83 CO 0.15 0.37 0.11 1.03 -4.06 0.00 0.00 176.95 174.55 1ot4 s ARG 84 N -3.27 -0.03 -0.03 3.25 0.52 0.10 -0.53 118.95 118.97 1ot4 s ARG 84 Ca 0.20 0.46 0.04 0.00 -0.52 0.00 0.00 55.73 55.90 1ot4 s ARG 84 Cb -0.03 -0.42 -0.03 0.00 0.52 0.00 0.00 34.95 34.99 1ot4 s ARG 84 CO 0.07 -0.33 -0.12 0.00 0.02 0.00 0.00 175.30 174.95 1ot4 s ALA 85 N 2.23 2.78 -0.20 2.13 0.00 0.35 -0.62 121.76 128.42 1ot4 s ALA 85 Ca 0.04 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 1ot4 s ALA 85 Cb -0.12 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.06 1ot4 s ALA 85 CO -0.04 0.57 0.47 0.54 0.00 0.00 0.00 175.76 177.30 1ot4 s VAL 86 N -0.82 -0.09 0.00 0.00 0.11 -1.26 -0.86 120.40 117.47 1ot4 s VAL 86 Ca 0.13 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1ot4 s VAL 86 Cb -0.11 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1ot4 s VAL 86 CO 0.03 0.03 0.00 -0.24 -3.33 0.00 0.00 175.10 171.59 1ot4 n SER 87 N 4.39 0.00 0.00 3.54 2.88 -1.26 -4.12 113.62 119.05 1ot4 n SER 87 Ca -0.21 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1ot4 n SER 87 Cb 0.55 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1ot4 n SER 87 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ot4 n SER 88 N -2.21 0.00 0.00 -3.46 7.64 -1.26 -4.78 113.62 109.55 1ot4 n SER 88 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ot4 n SER 88 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ot4 n ASP 89 N 0.00 0.00 -0.54 6.43 2.03 -1.26 -5.15 116.55 118.06 1ot4 n ASP 89 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1ot4 n ASP 89 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1ot4 n THR 90 N 0.00 0.00 -3.18 5.18 5.66 -1.26 -4.90 114.28 115.78 1ot4 n THR 90 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1ot4 n THR 90 Cb 0.00 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.40 -0.72 -2.54 1.09 -0.00 -1.26 -4.88 115.22 105.51 1ot4 n HIS 91 Ca 0.00 0.31 -0.35 0.00 -0.00 0.00 0.00 57.72 57.68 1ot4 n HIS 91 Cb 0.11 -1.41 -0.04 0.00 -0.00 0.00 0.00 29.99 28.65 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1ot4 s PRO 92 N -1.24 3.94 -0.19 1.57 0.04 -1.26 -5.00 135.00 132.86 1ot4 s PRO 92 Ca 0.05 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 1ot4 s PRO 92 Cb -0.01 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1ot4 s PRO 92 CO 0.18 -0.32 0.58 0.42 0.04 0.00 0.00 177.00 177.90 1ot4 s ILE 93 N -1.85 5.06 0.05 0.56 1.09 -0.04 -4.99 121.20 121.09 1ot4 s ILE 93 Ca 0.64 1.10 0.04 0.00 -1.10 0.00 0.00 60.65 61.32 1ot4 s ILE 93 Cb -0.19 -3.90 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 1ot4 s ILE 93 CO 0.23 0.15 -0.02 0.42 -0.10 0.00 0.00 174.94 175.62 1ot4 s THR 94 N 1.68 3.92 0.02 2.92 -4.23 -1.26 -0.50 115.64 118.20 1ot4 s THR 94 Ca 0.27 -0.87 -0.24 0.00 -1.18 0.00 0.00 61.69 59.66 1ot4 s THR 94 Cb -0.16 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 70.94 1ot4 s THR 94 CO 0.10 0.24 0.56 -0.83 -0.54 0.00 0.00 174.62 174.15 1ot4 s GLY 95 N -1.93 -0.47 0.01 3.99 0.00 0.31 -4.89 107.32 104.34 1ot4 s GLY 95 Ca 0.22 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.75 1ot4 s GLY 95 CO 0.14 0.47 -0.06 -0.56 0.00 0.00 0.00 173.10 173.08 1ot4 s SER 96 N -1.76 0.74 -0.33 1.64 0.01 -1.26 0.13 113.70 112.87 1ot4 s SER 96 Ca -0.07 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1ot4 s SER 96 Cb -0.01 -0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.29 1ot4 s SER 96 CO 0.01 -0.03 0.08 -0.69 0.41 0.00 0.00 173.24 173.02 1ot4 s VAL 97 N -0.61 1.60 0.26 3.43 1.01 0.13 -4.93 120.40 121.30 1ot4 s VAL 97 Ca -0.02 -1.92 -0.19 0.00 0.00 0.00 0.00 61.98 59.84 1ot4 s VAL 97 Cb -0.05 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1ot4 s VAL 97 CO 0.00 -0.65 0.76 0.28 0.00 0.00 0.00 175.10 175.49 1ot4 s THR 98 N 1.20 4.56 -0.07 3.92 -1.32 -1.26 -1.10 115.64 121.57 1ot4 s THR 98 Ca 0.11 1.25 -0.23 0.00 -1.21 0.00 0.00 61.69 61.61 1ot4 s THR 98 Cb -0.18 -3.80 0.05 0.00 -1.51 0.00 0.00 72.50 67.06 1ot4 s THR 98 CO -0.16 0.08 0.53 0.72 -2.21 0.00 0.00 174.62 173.58 1ot4 s PHE 99 N -1.67 -0.49 0.30 9.09 -0.12 -0.40 0.52 117.98 125.20 1ot4 s PHE 99 Ca 0.47 0.91 0.06 0.00 -0.05 0.00 0.00 56.93 58.33 1ot4 s PHE 99 Cb -0.15 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1ot4 s PHE 99 CO 0.20 -0.47 0.37 0.15 -0.05 0.00 0.00 175.22 175.42 1ot4 s LYS 100 N -0.94 3.10 -0.05 1.99 1.02 0.18 -1.28 119.74 123.77 1ot4 s LYS 100 Ca -0.10 -1.00 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 1ot4 s LYS 100 Cb -0.03 -2.74 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1ot4 s LYS 100 CO 0.06 0.21 0.04 0.08 -0.92 0.00 0.00 175.35 174.83 1ot4 s VAL 101 N -2.14 0.01 0.00 3.17 1.01 0.11 -3.29 120.40 119.27 1ot4 s VAL 101 Ca 0.40 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1ot4 s VAL 101 Cb -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1ot4 s VAL 101 CO 0.29 0.19 0.47 0.29 0.00 0.00 0.00 175.10 176.34