#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 0.40 -6.14 -0.41 0.13 -2.03 -3.46 132.00 120.49 1ot4 h PRO 2 Ca 0.00 -0.38 -0.53 0.00 -0.87 0.00 0.00 66.00 64.22 1ot4 h PRO 2 Cb 0.00 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.16 1ot4 h PRO 2 CO 0.00 1.04 -0.53 0.15 -0.23 0.00 0.00 178.00 178.44 1ot4 s LYS 3 N -3.36 2.49 1.18 0.86 3.01 -1.26 -4.78 119.74 117.89 1ot4 s LYS 3 Ca -0.14 -1.43 -0.18 0.00 -1.01 0.00 0.00 55.97 53.22 1ot4 s LYS 3 Cb 0.04 -2.28 0.22 0.00 -1.01 0.00 0.00 37.83 34.79 1ot4 s LYS 3 CO 0.81 0.17 0.44 1.47 0.51 0.00 0.00 175.35 178.74 1ot4 n LEU 4 N -1.17 -1.57 0.00 3.17 -0.00 -1.26 -4.94 117.00 111.23 1ot4 n LEU 4 Ca -0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 56.01 55.59 1ot4 n LEU 4 Cb 0.60 -0.96 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 1ot4 n LEU 4 CO 0.42 -3.50 0.32 0.52 -0.00 0.00 0.00 177.39 175.15 1ot4 n VAL 5 N -4.84 0.00 -3.80 1.47 0.31 -1.25 -4.78 118.33 105.44 1ot4 n VAL 5 Ca 0.05 1.14 -0.12 0.00 -0.01 0.00 0.00 64.34 65.40 1ot4 n VAL 5 Cb 0.53 -2.04 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.21 -0.11 0.23 4.52 0.01 -1.21 -5.04 113.70 109.89 1ot4 s SER 6 Ca 0.00 -0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.04 1ot4 s SER 6 Cb 0.00 0.28 0.02 0.00 0.21 0.00 0.00 66.02 66.53 1ot4 s SER 6 CO 0.00 -0.44 0.57 -0.94 0.41 0.00 0.00 173.24 172.84 1ot4 s SER 7 N -1.43 -0.23 -0.36 2.44 1.04 -1.26 0.55 113.70 114.45 1ot4 s SER 7 Ca -0.13 -0.61 0.13 0.00 0.48 0.00 0.00 55.95 55.81 1ot4 s SER 7 Cb -0.06 0.62 0.37 0.00 0.10 0.00 0.00 66.02 67.05 1ot4 s SER 7 CO 0.03 -1.15 0.77 0.41 0.98 0.00 0.00 173.24 174.27 1ot4 n THR 8 N -0.38 0.02 0.07 2.02 -1.04 0.16 -4.92 114.28 110.20 1ot4 n THR 8 Ca -0.06 -4.31 -0.07 0.00 -2.04 0.00 0.00 64.05 57.57 1ot4 n THR 8 Cb 0.61 -0.09 -0.04 0.00 -1.82 0.00 0.00 70.33 68.99 1ot4 n THR 8 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1ot4 h PRO 9 N 3.00 -0.26 0.00 -2.82 0.13 -1.85 -1.49 132.00 128.70 1ot4 h PRO 9 Ca 0.07 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ot4 h PRO 9 Cb 1.01 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ot4 h PRO 9 CO 0.50 -0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.24 1ot4 n ALA 10 N -2.70 0.00 -1.33 -0.56 0.00 -1.26 -4.50 120.51 110.16 1ot4 n ALA 10 Ca -0.05 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.81 1ot4 n ALA 10 Cb 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.53 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 0.31 -3.52 0.00 1.02 -1.26 0.55 120.64 117.73 1ot4 n GLU 11 Ca 0.00 0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 57.01 1ot4 n GLU 11 Cb 0.00 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 29.62 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 7.05 -0.45 3.55 0.62 0.00 0.17 -4.75 105.19 111.38 1ot4 n GLY 12 Ca 0.50 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.63 5.29 -0.25 1.61 0.01 0.19 -4.72 113.70 113.19 1ot4 s SER 13 Ca 0.42 0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.71 1ot4 s SER 13 Cb -0.24 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 1ot4 s SER 13 CO 0.52 -2.42 0.07 -1.61 0.41 0.00 0.00 173.24 170.20 1ot4 s GLU 14 N 6.97 3.64 0.00 12.44 2.02 -1.26 -0.16 118.70 142.35 1ot4 s GLU 14 Ca 0.66 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1ot4 s GLU 14 Cb -0.11 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1ot4 s GLU 14 CO 0.16 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.66 1ot4 n GLY 15 N 4.92 1.00 3.73 -1.39 0.00 -1.22 -4.95 105.19 107.28 1ot4 n GLY 15 Ca -0.16 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 0.27 4.61 0.00 -1.24 -0.68 121.76 123.01 1ot4 s ALA 16 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1ot4 s ALA 16 Cb 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 23.12 23.63 1ot4 s ALA 16 CO 0.00 -1.03 1.32 0.00 0.00 0.00 0.00 175.76 176.05 1ot4 s ALA 17 N -3.21 3.53 0.22 0.00 0.00 -1.26 -4.57 121.76 116.46 1ot4 s ALA 17 Ca 0.12 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 1ot4 s ALA 17 Cb -0.01 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1ot4 s ALA 17 CO 0.01 -0.60 1.10 -1.25 0.00 0.00 0.00 175.76 175.03 1ot4 s PRO 18 N -0.98 4.61 0.13 0.00 0.04 -1.26 -4.95 135.00 132.58 1ot4 s PRO 18 Ca 0.53 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 63.11 1ot4 s PRO 18 Cb -0.39 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1ot4 s PRO 18 CO 0.46 0.13 1.68 0.00 0.04 0.00 0.00 177.00 179.31 1ot4 h ALA 19 N 4.61 -0.03 -2.65 8.56 0.00 -1.93 -3.45 119.26 124.37 1ot4 h ALA 19 Ca -0.45 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1ot4 h ALA 19 Cb 1.21 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 19.10 1ot4 h ALA 19 CO 0.70 -0.57 -0.02 -1.59 0.00 0.00 0.00 179.25 177.77 1ot4 s LYS 20 N -6.16 1.04 -0.14 0.00 -2.85 -1.26 -4.86 119.74 105.51 1ot4 s LYS 20 Ca -0.14 -0.46 -0.07 0.00 -1.00 0.00 0.00 55.97 54.29 1ot4 s LYS 20 Cb 0.10 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.29 1ot4 s LYS 20 CO 0.68 -0.39 0.13 0.42 0.10 0.00 0.00 175.35 176.28 1ot4 s ILE 21 N -3.08 5.43 0.10 3.79 1.09 0.44 -4.81 121.20 124.16 1ot4 s ILE 21 Ca -0.02 0.18 0.07 0.00 -1.10 0.00 0.00 60.65 59.79 1ot4 s ILE 21 Cb 0.00 -3.39 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 1ot4 s ILE 21 CO -0.07 0.58 -0.09 -0.70 -0.10 0.00 0.00 174.94 174.56 1ot4 s GLU 22 N -0.73 2.16 -0.07 2.79 2.12 -0.56 0.24 118.70 124.65 1ot4 s GLU 22 Ca 0.13 -1.01 -0.10 0.00 0.36 0.00 0.00 54.97 54.35 1ot4 s GLU 22 Cb -0.12 -2.32 0.02 0.00 0.26 0.00 0.00 34.13 31.97 1ot4 s GLU 22 CO 0.03 0.51 0.26 -0.51 -0.54 0.00 0.00 175.26 175.01 1ot4 s LEU 23 N -2.19 1.01 0.03 2.70 1.43 0.63 0.37 118.68 122.66 1ot4 s LEU 23 Ca 0.21 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1ot4 s LEU 23 Cb -0.11 0.98 -0.02 0.00 0.03 0.00 0.00 46.19 47.06 1ot4 s LEU 23 CO 0.14 -0.21 -0.07 -1.00 0.23 0.00 0.00 176.35 175.44 1ot4 s HIS 24 N -0.39 0.59 -0.33 0.29 3.76 0.19 -1.18 115.29 118.22 1ot4 s HIS 24 Ca -0.05 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 1ot4 s HIS 24 Cb -0.03 -0.36 0.15 0.00 1.11 0.00 0.00 32.58 33.45 1ot4 s HIS 24 CO 0.01 -0.09 0.37 -0.06 -0.85 0.00 0.00 174.74 174.13 1ot4 s PHE 25 N -1.24 -0.60 -1.17 1.40 0.40 -0.73 -3.36 117.98 112.67 1ot4 s PHE 25 Ca -0.09 -0.28 0.17 0.00 -0.60 0.00 0.00 56.93 56.12 1ot4 s PHE 25 Cb -0.09 -0.33 0.76 0.00 0.51 0.00 0.00 43.02 43.87 1ot4 s PHE 25 CO 0.00 -0.97 1.51 0.45 0.70 0.00 0.00 175.22 176.91 1ot4 n SER 26 N 4.86 0.00 -2.03 1.36 2.88 -1.26 -2.37 113.62 117.07 1ot4 n SER 26 Ca 0.04 0.32 -0.25 0.00 -1.33 0.00 0.00 58.87 57.65 1ot4 n SER 26 Cb 0.47 -0.41 0.12 0.00 -0.75 0.00 0.00 64.21 63.64 1ot4 n SER 26 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ot4 n GLU 27 N -1.41 2.57 -1.58 -1.46 2.13 -1.26 -5.03 120.64 114.60 1ot4 n GLU 27 Ca 0.06 -3.35 0.00 0.00 0.66 0.00 0.00 57.16 54.52 1ot4 n GLU 27 Cb 0.17 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 -0.98 -8.51 -3.43 4.31 2.85 -1.00 -4.90 115.26 103.60 1ot4 n ASN 28 Ca 0.53 1.50 -0.26 0.00 -0.11 0.00 0.00 54.58 56.24 1ot4 n ASN 28 Cb 1.03 -4.90 -0.09 0.00 1.24 0.00 0.00 39.78 37.06 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1ot4 n LEU 29 N -1.60 1.11 -4.71 1.20 7.94 -1.26 -4.94 117.00 114.75 1ot4 n LEU 29 Ca 0.00 -4.81 -0.32 0.00 -1.11 0.00 0.00 56.01 49.77 1ot4 n LEU 29 Cb 0.20 0.12 0.13 0.00 0.53 0.00 0.00 43.42 44.39 1ot4 n LEU 29 CO 0.00 1.94 0.72 -0.69 -1.11 0.00 0.00 177.39 178.25 1ot4 s VAL 30 N -1.05 2.42 -0.91 1.96 1.01 -1.26 -4.69 120.40 117.88 1ot4 s VAL 30 Ca 0.33 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1ot4 s VAL 30 Cb 0.08 -2.44 0.33 0.00 0.00 0.00 0.00 36.38 34.35 1ot4 s VAL 30 CO -0.13 -0.16 1.66 1.07 0.00 0.00 0.00 175.10 177.54 1ot4 n THR 31 N -3.60 5.15 -0.12 3.92 5.66 -1.26 -4.42 114.28 119.61 1ot4 n THR 31 Ca 0.12 -5.69 -0.24 0.00 -3.05 0.00 0.00 64.05 55.19 1ot4 n THR 31 Cb 0.52 -1.48 -0.10 0.00 -1.55 0.00 0.00 70.33 67.72 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 -0.16 0.57 -0.25 1.09 -0.06 -1.26 -4.78 117.38 112.53 1ot4 n GLN 32 Ca 0.45 0.40 0.00 0.00 -2.00 0.00 0.00 57.00 55.85 1ot4 n GLN 32 Cb 0.29 -1.60 0.00 0.00 -4.06 0.00 0.00 30.24 24.87 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 -4.36 0.00 -2.41 3.69 3.72 -1.26 -5.10 117.46 111.73 1ot4 n PHE 33 Ca -0.40 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.72 1ot4 n PHE 33 Cb 0.74 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.30 1ot4 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ot4 s SER 34 N -0.43 5.94 0.00 4.37 1.04 -1.26 -4.69 113.70 118.68 1ot4 s SER 34 Ca 0.00 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1ot4 s SER 34 Cb 0.00 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1ot4 s SER 34 CO 0.00 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1ot4 n GLY 35 N -2.48 -1.09 3.34 7.32 0.00 0.14 -4.95 105.19 107.46 1ot4 n GLY 35 Ca 0.03 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.08 -0.24 4.61 0.00 -1.26 0.16 121.76 122.94 1ot4 s ALA 36 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 1ot4 s ALA 36 Cb 0.00 0.73 0.11 0.00 0.00 0.00 0.00 23.12 23.96 1ot4 s ALA 36 CO 0.00 -0.67 0.50 0.15 0.00 0.00 0.00 175.76 175.74 1ot4 s LYS 37 N -3.76 0.42 0.09 0.00 1.02 0.18 -4.97 119.74 112.72 1ot4 s LYS 37 Ca 0.02 1.13 -0.24 0.00 0.02 0.00 0.00 55.97 56.90 1ot4 s LYS 37 Cb 0.01 0.46 -0.07 0.00 -0.52 0.00 0.00 37.83 37.71 1ot4 s LYS 37 CO -0.12 -0.29 0.72 -1.17 -0.92 0.00 0.00 175.35 173.57 1ot4 s LEU 38 N 2.72 4.52 -0.02 3.17 2.96 -1.26 -1.46 118.68 129.30 1ot4 s LEU 38 Ca -0.00 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 1ot4 s LEU 38 Cb -0.12 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.41 1ot4 s LEU 38 CO -0.16 0.15 -0.04 0.68 -1.32 0.00 0.00 176.35 175.67 1ot4 s VAL 39 N -0.70 0.36 -0.66 1.68 -7.23 -1.00 -1.18 120.40 111.68 1ot4 s VAL 39 Ca 0.35 -0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.24 1ot4 s VAL 39 Cb -0.21 -0.36 0.15 0.00 0.56 0.00 0.00 36.38 36.52 1ot4 s VAL 39 CO 0.23 0.14 0.66 -0.32 -0.31 0.00 0.00 175.10 175.50 1ot4 s MET 40 N 0.37 3.21 -0.81 4.82 1.75 0.23 -0.84 119.30 128.03 1ot4 s MET 40 Ca -0.04 -1.84 0.02 0.00 -1.25 0.00 0.00 55.69 52.58 1ot4 s MET 40 Cb -0.07 -4.37 0.33 0.00 2.84 0.00 0.00 34.83 33.56 1ot4 s MET 40 CO -0.00 -1.39 1.40 -2.37 -0.65 0.00 0.00 175.02 172.00 1ot4 n THR 41 N 4.97 4.61 -1.64 10.11 5.66 -0.97 -2.56 114.28 134.46 1ot4 n THR 41 Ca -0.03 -5.78 -0.47 0.00 -3.05 0.00 0.00 64.05 54.72 1ot4 n THR 41 Cb 0.43 -1.47 -0.04 0.00 -1.55 0.00 0.00 70.33 67.70 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 -0.16 0.51 -2.89 1.79 0.00 -0.87 -3.84 120.51 115.06 1ot4 n ALA 42 Ca 0.39 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 54.26 1ot4 n ALA 42 Cb 0.33 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 1ot4 n ALA 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ot4 n MET 43 N 2.56 -2.62 -2.46 0.00 0.00 -1.26 -4.86 117.12 108.48 1ot4 n MET 43 Ca 0.15 2.16 -0.42 0.00 -0.00 0.00 0.00 57.70 59.59 1ot4 n MET 43 Cb 0.27 -2.81 -0.03 0.00 0.00 0.00 0.00 33.22 30.65 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 -0.49 4.46 0.00 2.12 0.04 -1.25 -4.70 135.00 135.17 1ot4 s PRO 44 Ca -0.11 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1ot4 s PRO 44 Cb 0.01 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1ot4 s PRO 44 CO 0.36 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1ot4 n GLY 45 N 3.12 -0.02 2.38 0.56 0.00 -1.26 -5.09 105.19 104.88 1ot4 n GLY 45 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.97 -4.17 1.61 2.81 -1.26 -4.98 117.12 112.09 1ot4 n MET 46 Ca 0.00 -2.85 -0.36 0.00 -1.81 0.00 0.00 57.70 52.68 1ot4 n MET 46 Cb 0.00 -1.46 -0.05 0.00 -0.71 0.00 0.00 33.22 31.00 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 0.41 -0.66 -3.20 0.03 2.13 -1.26 -2.54 120.64 115.55 1ot4 n GLU 47 Ca 0.18 0.06 -0.04 0.00 0.66 0.00 0.00 57.16 58.02 1ot4 n GLU 47 Cb 0.66 -2.97 0.00 0.00 0.27 0.00 0.00 31.44 29.41 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 -0.48 -3.19 4.31 1.44 -1.26 -4.95 115.22 106.47 1ot4 n HIS 48 Ca -0.23 0.20 -0.22 0.00 -2.01 0.00 0.00 57.72 55.46 1ot4 n HIS 48 Cb 0.61 -1.23 -0.06 0.00 0.12 0.00 0.00 29.99 29.44 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1ot4 n SER 49 N 1.11 0.57 -4.78 4.39 7.64 -1.05 -5.12 113.62 116.37 1ot4 n SER 49 Ca -0.01 -2.83 -0.36 0.00 1.01 0.00 0.00 58.87 56.68 1ot4 n SER 49 Cb 0.50 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.63 4.09 -0.40 1.43 0.04 -1.26 -4.91 135.00 132.35 1ot4 s PRO 50 Ca 0.37 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1ot4 s PRO 50 Cb 0.22 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1ot4 s PRO 50 CO -0.10 -0.21 0.27 -1.64 0.04 0.00 0.00 177.00 175.37 1ot4 s MET 51 N -2.64 2.92 0.47 4.56 -1.94 -1.06 -4.91 119.30 116.70 1ot4 s MET 51 Ca 0.60 -1.04 -0.24 0.00 -1.71 0.00 0.00 55.69 53.29 1ot4 s MET 51 Cb -0.21 -3.90 -0.07 0.00 2.01 0.00 0.00 34.83 32.65 1ot4 s MET 51 CO 0.26 -0.74 1.34 0.00 -0.01 0.00 0.00 175.02 175.88 1ot4 s ALA 52 N 1.64 3.08 0.13 3.03 0.00 -1.26 0.76 121.76 129.13 1ot4 s ALA 52 Ca 0.04 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.36 1ot4 s ALA 52 Cb -0.19 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1ot4 s ALA 52 CO 0.09 -1.10 -0.13 0.54 0.00 0.00 0.00 175.76 175.16 1ot4 s VAL 53 N -1.29 1.28 0.14 0.00 0.11 -0.32 -4.82 120.40 115.50 1ot4 s VAL 53 Ca 0.64 -1.79 -0.30 0.00 -2.93 0.00 0.00 61.98 57.60 1ot4 s VAL 53 Cb -0.39 -1.59 -0.07 0.00 -1.53 0.00 0.00 36.38 32.80 1ot4 s VAL 53 CO 0.49 -0.50 1.08 -0.75 -3.33 0.00 0.00 175.10 172.09 1ot4 s LYS 54 N -2.91 4.60 0.32 1.54 2.20 -1.26 -4.42 119.74 119.81 1ot4 s LYS 54 Ca 0.10 1.65 -0.12 0.00 -0.36 0.00 0.00 55.97 57.25 1ot4 s LYS 54 Cb -0.03 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1ot4 s LYS 54 CO 0.02 0.06 0.60 0.00 -0.36 0.00 0.00 175.35 175.68 1ot4 s ALA 55 N 0.02 -0.24 0.02 3.13 0.00 -1.26 -4.05 121.76 119.37 1ot4 s ALA 55 Ca 0.50 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1ot4 s ALA 55 Cb -0.28 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1ot4 s ALA 55 CO 0.33 -0.90 -0.04 0.00 0.00 0.00 0.00 175.76 175.15 1ot4 s ALA 56 N -3.25 0.22 -0.18 0.00 0.00 -1.12 -4.86 121.76 112.58 1ot4 s ALA 56 Ca 0.21 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 1ot4 s ALA 56 Cb -0.03 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1ot4 s ALA 56 CO 0.13 -0.06 -0.15 0.14 0.00 0.00 0.00 175.76 175.82 1ot4 s VAL 57 N -0.90 2.55 0.48 0.00 -7.23 -1.26 -0.74 120.40 113.30 1ot4 s VAL 57 Ca -0.08 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1ot4 s VAL 57 Cb -0.06 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1ot4 s VAL 57 CO -0.00 0.50 0.09 -0.44 -0.31 0.00 0.00 175.10 174.94 1ot4 s SER 58 N 1.18 4.20 0.02 4.85 0.01 0.06 -4.98 113.70 119.04 1ot4 s SER 58 Ca 0.02 -1.45 -0.01 0.00 1.31 0.00 0.00 55.95 55.82 1ot4 s SER 58 Cb -0.14 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 1ot4 s SER 58 CO -0.06 -0.76 -0.01 -0.83 0.41 0.00 0.00 173.24 171.98 1ot4 s GLY 59 N -3.91 0.23 0.00 3.44 0.00 -1.26 0.01 107.32 105.83 1ot4 s GLY 59 Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1ot4 s GLY 59 CO 0.12 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.17 1ot4 n GLY 60 N 1.47 -0.96 0.15 0.20 0.00 -0.37 -4.90 105.19 100.79 1ot4 n GLY 60 Ca -0.23 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 0.40 -3.33 -0.02 0.00 -2.02 -3.45 103.07 94.64 1ot4 h GLY 61 Ca 0.00 -0.67 -0.59 0.00 0.00 0.00 0.00 47.33 46.07 1ot4 h GLY 61 CO 0.00 0.60 -0.64 0.99 0.00 0.00 0.00 176.54 177.49 1ot4 s ASP 62 N -7.03 4.82 0.00 0.19 1.01 -1.26 -5.00 116.67 109.40 1ot4 s ASP 62 Ca -0.05 -0.42 0.24 0.00 0.71 0.00 0.00 52.55 53.03 1ot4 s ASP 62 Cb 0.09 -1.03 1.39 0.00 1.01 0.00 0.00 42.92 44.39 1ot4 s ASP 62 CO 0.85 0.06 1.79 -0.81 0.21 0.00 0.00 175.17 177.27 1ot4 n PRO 63 N -0.36 0.70 0.09 8.23 -0.04 -1.26 -2.25 135.00 140.10 1ot4 n PRO 63 Ca -0.09 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1ot4 n PRO 63 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.00 -4.85 0.54 2.10 -1.85 -3.37 116.57 109.14 1ot4 h LYS 64 Ca 0.00 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.99 1ot4 h LYS 64 Cb 0.03 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.16 1ot4 h LYS 64 CO 0.00 0.26 -0.54 0.99 -2.00 0.00 0.00 179.45 178.15 1ot4 s THR 65 N -3.05 4.96 0.13 0.07 2.01 -0.95 -1.78 115.64 117.02 1ot4 s THR 65 Ca 0.00 -0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.01 1ot4 s THR 65 Cb 0.08 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1ot4 s THR 65 CO 0.78 0.18 -0.21 -0.32 -0.69 0.00 0.00 174.62 174.37 1ot4 s MET 66 N 1.69 1.67 -0.13 4.92 1.75 -0.33 -1.24 119.30 127.64 1ot4 s MET 66 Ca 0.06 -1.26 -0.04 0.00 -1.25 0.00 0.00 55.69 53.21 1ot4 s MET 66 Cb -0.16 -2.04 0.06 0.00 2.84 0.00 0.00 34.83 35.53 1ot4 s MET 66 CO 0.08 0.46 0.16 0.14 -0.65 0.00 0.00 175.02 175.22 1ot4 s VAL 67 N -1.19 -0.24 -0.05 10.11 -7.23 0.10 -0.27 120.40 121.63 1ot4 s VAL 67 Ca 0.17 0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.24 1ot4 s VAL 67 Cb -0.10 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 1ot4 s VAL 67 CO 0.09 -0.04 0.66 -0.63 -0.31 0.00 0.00 175.10 174.87 1ot4 s ILE 68 N 2.27 5.01 -0.29 -0.62 1.09 0.14 -0.76 121.20 128.04 1ot4 s ILE 68 Ca 0.04 1.36 -0.04 0.00 -1.10 0.00 0.00 60.65 60.92 1ot4 s ILE 68 Cb -0.14 -4.00 0.10 0.00 -1.06 0.00 0.00 42.46 37.37 1ot4 s ILE 68 CO -0.08 0.30 0.15 -0.89 -0.10 0.00 0.00 174.94 174.33 1ot4 s THR 69 N 0.50 -0.12 0.17 2.92 2.01 0.08 -0.42 115.64 120.78 1ot4 s THR 69 Ca 0.35 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 1ot4 s THR 69 Cb -0.18 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 1ot4 s THR 69 CO 0.17 -0.68 1.12 -2.16 -0.69 0.00 0.00 174.62 172.39 1ot4 s PRO 70 N 2.14 4.56 0.12 4.92 0.04 -1.26 -2.79 135.00 142.73 1ot4 s PRO 70 Ca 0.09 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1ot4 s PRO 70 Cb -0.16 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1ot4 s PRO 70 CO -0.35 0.02 1.52 0.00 0.04 0.00 0.00 177.00 178.23 1ot4 h ALA 71 N 5.27 0.53 -2.85 8.56 0.00 -1.89 -3.43 119.26 125.44 1ot4 h ALA 71 Ca -0.44 -0.32 -0.52 0.00 0.00 0.00 0.00 54.91 53.64 1ot4 h ALA 71 Cb 1.21 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.91 1ot4 h ALA 71 CO 0.73 0.40 0.57 -1.12 0.00 0.00 0.00 179.25 179.83 1ot4 s SER 72 N -6.37 6.98 -0.01 0.00 0.01 -1.26 -4.97 113.70 108.08 1ot4 s SER 72 Ca -0.13 2.51 -0.30 0.00 1.31 0.00 0.00 55.95 59.35 1ot4 s SER 72 Cb 0.10 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1ot4 s SER 72 CO 0.81 -0.37 1.20 -2.16 0.41 0.00 0.00 173.24 173.13 1ot4 s PRO 73 N -1.62 4.38 -0.31 12.44 0.04 -1.26 -4.98 135.00 143.69 1ot4 s PRO 73 Ca 0.47 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 1ot4 s PRO 73 Cb -0.37 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 30.70 1ot4 s PRO 73 CO 0.48 -0.37 1.07 -0.51 0.04 0.00 0.00 177.00 177.71 1ot4 s LEU 74 N 1.80 3.95 0.51 -3.56 1.43 -1.26 -5.02 118.68 116.53 1ot4 s LEU 74 Ca 0.57 1.10 0.09 0.00 -1.03 0.00 0.00 54.13 54.85 1ot4 s LEU 74 Cb -0.26 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1ot4 s LEU 74 CO 0.25 -0.86 0.66 0.42 0.23 0.00 0.00 176.35 177.05 1ot4 s THR 75 N 3.60 2.43 1.01 5.49 -4.23 -1.26 -4.57 115.64 118.11 1ot4 s THR 75 Ca 0.45 -1.06 -0.19 0.00 -1.18 0.00 0.00 61.69 59.71 1ot4 s THR 75 Cb -0.13 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 1ot4 s THR 75 CO 0.14 0.00 -0.62 0.00 -0.54 0.00 0.00 174.62 173.60 1ot4 n ALA 76 N -2.02 -4.79 0.00 3.99 0.00 -1.26 -4.76 120.51 111.66 1ot4 n ALA 76 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1ot4 n ALA 76 Cb 0.61 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 2.87 0.26 3.16 0.00 0.00 0.07 -4.88 105.19 106.67 1ot4 n GLY 77 Ca 0.00 -2.26 -0.23 0.00 0.00 0.00 0.00 46.02 43.54 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 1.28 0.19 2.61 2.01 -1.26 0.01 115.64 120.48 1ot4 s THR 78 Ca 0.00 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1ot4 s THR 78 Cb 0.00 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 1ot4 s THR 78 CO 0.00 0.21 0.17 -0.31 -0.69 0.00 0.00 174.62 173.99 1ot4 s TYR 79 N -0.61 0.99 -0.15 4.92 1.51 -0.60 -2.05 117.35 121.37 1ot4 s TYR 79 Ca 0.05 -1.26 -0.04 0.00 -1.01 0.00 0.00 57.07 54.81 1ot4 s TYR 79 Cb -0.07 -0.44 0.07 0.00 -0.11 0.00 0.00 41.96 41.41 1ot4 s TYR 79 CO 0.00 -0.67 0.18 0.21 -1.11 0.00 0.00 175.55 174.17 1ot4 s LYS 80 N -4.12 0.11 -0.40 -0.62 2.36 -0.02 -1.28 119.74 115.76 1ot4 s LYS 80 Ca 0.34 0.36 -0.22 0.00 -2.55 0.00 0.00 55.97 53.90 1ot4 s LYS 80 Cb 0.06 -0.82 0.02 0.00 -1.05 0.00 0.00 37.83 36.04 1ot4 s LYS 80 CO 0.10 -0.49 0.70 0.08 1.55 0.00 0.00 175.35 177.29 1ot4 s VAL 81 N 2.30 4.78 -0.22 4.02 1.01 -0.21 -2.38 120.40 129.70 1ot4 s VAL 81 Ca 0.04 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 1ot4 s VAL 81 Cb -0.14 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1ot4 s VAL 81 CO -0.09 -0.51 0.37 -1.81 0.00 0.00 0.00 175.10 173.06 1ot4 s ASP 82 N 1.95 6.37 0.24 3.32 1.11 -0.54 0.32 116.67 129.44 1ot4 s ASP 82 Ca 0.26 0.43 0.11 0.00 0.18 0.00 0.00 52.55 53.54 1ot4 s ASP 82 Cb -0.14 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.59 1ot4 s ASP 82 CO 0.18 -0.09 -0.21 -1.66 1.18 0.00 0.00 175.17 174.57 1ot4 s TRP 83 N 1.47 2.26 -0.10 4.23 1.48 0.18 0.49 118.94 128.95 1ot4 s TRP 83 Ca 0.17 -0.35 -0.07 0.00 -1.06 0.00 0.00 56.10 54.79 1ot4 s TRP 83 Cb -0.15 -1.04 0.04 0.00 -1.16 0.00 0.00 33.47 31.16 1ot4 s TRP 83 CO 0.08 0.61 0.25 1.03 -4.06 0.00 0.00 176.95 174.86 1ot4 s ARG 84 N -3.15 0.25 0.21 3.25 0.52 0.12 -0.78 118.95 119.38 1ot4 s ARG 84 Ca 0.25 0.45 0.10 0.00 -0.52 0.00 0.00 55.73 56.02 1ot4 s ARG 84 Cb -0.06 0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.37 1ot4 s ARG 84 CO 0.12 -0.10 -0.20 0.00 0.02 0.00 0.00 175.30 175.14 1ot4 s ALA 85 N 0.71 2.37 0.09 2.13 0.00 -0.19 0.24 121.76 127.12 1ot4 s ALA 85 Ca -0.05 -1.66 0.07 0.00 0.00 0.00 0.00 51.96 50.31 1ot4 s ALA 85 Cb -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1ot4 s ALA 85 CO -0.04 0.29 -0.10 0.54 0.00 0.00 0.00 175.76 176.45 1ot4 s VAL 86 N -2.17 3.39 -0.26 0.00 0.11 -1.26 -0.35 120.40 119.86 1ot4 s VAL 86 Ca 0.22 -1.21 0.09 0.00 -2.93 0.00 0.00 61.98 58.15 1ot4 s VAL 86 Cb -0.06 -2.57 0.47 0.00 -1.53 0.00 0.00 36.38 32.70 1ot4 s VAL 86 CO 0.10 0.15 1.37 -1.20 -3.33 0.00 0.00 175.10 172.19 1ot4 n SER 87 N 0.81 2.18 0.00 3.54 7.64 -1.26 -4.54 113.62 121.99 1ot4 n SER 87 Ca -0.14 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 55.90 1ot4 n SER 87 Cb 0.52 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1ot4 n SER 87 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ot4 n SER 88 N -1.12 0.00 -3.93 6.43 2.88 -1.26 -4.74 113.62 111.87 1ot4 n SER 88 Ca 0.28 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.67 1ot4 n SER 88 Cb 0.91 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.39 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ot4 n ASP 89 N 2.57 1.78 -0.39 -3.46 5.68 -1.26 -5.03 116.55 116.43 1ot4 n ASP 89 Ca 0.00 -2.14 0.02 0.00 -0.50 0.00 0.00 54.79 52.16 1ot4 n ASP 89 Cb 0.00 -0.16 -0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1ot4 n THR 90 N -1.61 0.00 -2.41 2.12 -2.24 -1.26 -4.70 114.28 104.18 1ot4 n THR 90 Ca 0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 1ot4 n THR 90 Cb 0.41 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1ot4 n THR 90 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ot4 s HIS 91 N -0.34 3.45 0.76 4.78 3.76 -1.26 -4.81 115.29 121.64 1ot4 s HIS 91 Ca 0.00 1.46 -0.11 0.00 -0.15 0.00 0.00 55.06 56.26 1ot4 s HIS 91 Cb 0.00 -2.78 0.05 0.00 1.11 0.00 0.00 32.58 30.96 1ot4 s HIS 91 CO 0.00 -0.36 1.09 -1.25 -0.85 0.00 0.00 174.74 173.36 1ot4 s PRO 92 N -4.06 2.37 -0.19 8.40 0.04 -1.26 -4.66 135.00 135.62 1ot4 s PRO 92 Ca 0.59 0.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 1ot4 s PRO 92 Cb -0.10 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1ot4 s PRO 92 CO 0.31 -1.45 0.20 -1.50 0.04 0.00 0.00 177.00 174.60 1ot4 s ILE 93 N -3.12 5.36 0.33 0.56 1.10 0.53 -4.94 121.20 121.02 1ot4 s ILE 93 Ca 0.60 0.32 0.03 0.00 -0.51 0.00 0.00 60.65 61.09 1ot4 s ILE 93 Cb -0.14 -3.54 -0.02 0.00 0.15 0.00 0.00 42.46 38.91 1ot4 s ILE 93 CO 0.54 0.40 0.50 0.42 -2.11 0.00 0.00 174.94 174.69 1ot4 s THR 94 N 0.55 4.68 -0.09 4.00 -4.23 -1.26 -1.02 115.64 118.26 1ot4 s THR 94 Ca 0.11 -0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 59.55 1ot4 s THR 94 Cb -0.12 -3.67 0.12 0.00 1.34 0.00 0.00 72.50 70.16 1ot4 s THR 94 CO 0.01 -0.34 0.99 -0.83 -0.54 0.00 0.00 174.62 173.91 1ot4 s GLY 95 N -4.09 -0.37 0.00 3.99 0.00 0.04 -4.86 107.32 102.04 1ot4 s GLY 95 Ca 0.41 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.47 1ot4 s GLY 95 CO 0.33 0.56 0.15 -0.56 0.00 0.00 0.00 173.10 173.58 1ot4 s SER 96 N -2.06 0.01 -0.28 1.64 0.01 -1.26 0.49 113.70 112.25 1ot4 s SER 96 Ca 0.04 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 1ot4 s SER 96 Cb -0.01 0.21 0.09 0.00 0.21 0.00 0.00 66.02 66.53 1ot4 s SER 96 CO -0.06 -0.38 0.08 -0.69 0.41 0.00 0.00 173.24 172.60 1ot4 s VAL 97 N -1.42 0.84 0.12 3.43 1.01 0.15 -4.93 120.40 119.60 1ot4 s VAL 97 Ca -0.15 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.37 1ot4 s VAL 97 Cb -0.07 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 1ot4 s VAL 97 CO 0.02 -0.56 0.72 0.28 0.00 0.00 0.00 175.10 175.56 1ot4 s THR 98 N 1.65 4.53 0.02 3.92 -1.32 -1.26 -1.04 115.64 122.13 1ot4 s THR 98 Ca 0.07 1.57 -0.13 0.00 -1.21 0.00 0.00 61.69 61.98 1ot4 s THR 98 Cb -0.17 -4.07 0.02 0.00 -1.51 0.00 0.00 72.50 66.76 1ot4 s THR 98 CO -0.21 0.50 0.28 0.72 -2.21 0.00 0.00 174.62 173.70 1ot4 s PHE 99 N -0.93 -0.10 0.27 9.09 -0.71 -0.40 0.46 117.98 125.66 1ot4 s PHE 99 Ca 0.34 0.05 0.06 0.00 -1.04 0.00 0.00 56.93 56.35 1ot4 s PHE 99 Cb -0.22 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.63 1ot4 s PHE 99 CO 0.24 -0.43 0.30 0.15 -1.34 0.00 0.00 175.22 174.14 1ot4 s LYS 100 N -1.95 3.10 -0.07 1.99 1.02 0.77 -1.56 119.74 123.04 1ot4 s LYS 100 Ca -0.09 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 1ot4 s LYS 100 Cb -0.03 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1ot4 s LYS 100 CO 0.00 0.33 0.04 0.08 -0.92 0.00 0.00 175.35 174.88 1ot4 s VAL 101 N -2.11 0.09 -0.69 3.17 1.01 0.10 -3.38 120.40 118.60 1ot4 s VAL 101 Ca 0.36 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1ot4 s VAL 101 Cb -0.08 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1ot4 s VAL 101 CO 0.27 0.13 0.67 0.29 0.00 0.00 0.00 175.10 176.47