#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 2.21 -3.78 -0.41 -0.04 -1.26 -4.75 135.00 126.98 1ot4 n PRO 2 Ca 0.00 -1.32 -0.13 0.00 -0.04 0.00 0.00 63.50 62.02 1ot4 n PRO 2 Cb 0.00 -2.27 -0.09 0.00 -0.04 0.00 0.00 33.50 31.10 1ot4 n PRO 2 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ot4 s LYS 3 N 2.24 0.65 1.18 0.54 1.02 -1.26 -4.83 119.74 119.27 1ot4 s LYS 3 Ca 0.52 -0.24 -0.17 0.00 0.02 0.00 0.00 55.97 56.10 1ot4 s LYS 3 Cb 0.18 0.28 0.21 0.00 -0.52 0.00 0.00 37.83 37.99 1ot4 s LYS 3 CO -0.02 -0.18 0.43 1.47 -0.92 0.00 0.00 175.35 176.13 1ot4 n LEU 4 N 1.27 -1.69 0.00 3.17 -0.00 -1.26 -4.95 117.00 113.54 1ot4 n LEU 4 Ca -0.22 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.45 1ot4 n LEU 4 Cb 0.56 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1ot4 n LEU 4 CO 0.22 -3.46 0.28 0.52 -0.00 0.00 0.00 177.39 174.95 1ot4 n VAL 5 N -4.83 0.00 -3.89 1.47 0.31 -1.26 -4.92 118.33 105.22 1ot4 n VAL 5 Ca 0.04 1.05 -0.10 0.00 -0.01 0.00 0.00 64.34 65.32 1ot4 n VAL 5 Cb 0.54 -2.01 -0.10 0.00 -0.91 0.00 0.00 33.84 31.36 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 -2.08 0.08 0.21 4.52 0.01 -1.23 -5.06 113.70 110.14 1ot4 s SER 6 Ca 0.00 -0.33 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 1ot4 s SER 6 Cb 0.00 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.47 1ot4 s SER 6 CO 0.00 -0.42 0.56 -0.94 0.41 0.00 0.00 173.24 172.84 1ot4 s SER 7 N -1.66 -0.28 -0.39 2.44 1.04 -1.26 0.64 113.70 114.22 1ot4 s SER 7 Ca -0.11 -0.48 0.11 0.00 0.48 0.00 0.00 55.95 55.96 1ot4 s SER 7 Cb -0.05 0.60 0.34 0.00 0.10 0.00 0.00 66.02 67.01 1ot4 s SER 7 CO -0.01 -1.09 0.73 0.41 0.98 0.00 0.00 173.24 174.27 1ot4 n THR 8 N -0.36 0.02 0.00 2.02 -1.04 0.18 -4.91 114.28 110.18 1ot4 n THR 8 Ca -0.09 -4.63 0.00 0.00 -2.04 0.00 0.00 64.05 57.29 1ot4 n THR 8 Cb 0.62 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 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 0.30 0.00 -2.49 -2.82 -0.04 -1.09 -1.03 135.00 127.83 1ot4 n PRO 9 Ca 0.25 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1ot4 n PRO 9 Cb 0.64 -0.78 0.03 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.95 -1.07 -1.44 0.55 0.00 -1.26 -4.52 120.51 111.81 1ot4 n ALA 10 Ca 0.00 -0.60 -0.46 0.00 0.00 0.00 0.00 53.44 52.38 1ot4 n ALA 10 Cb 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.55 0.30 -3.61 0.00 1.02 -1.26 -0.58 120.64 115.95 1ot4 n GLU 11 Ca -0.17 0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 56.74 1ot4 n GLU 11 Cb 0.69 -1.91 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 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 6.66 -0.38 3.55 0.62 0.00 0.17 -4.73 105.19 111.08 1ot4 n GLY 12 Ca 0.56 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.62 5.32 -0.24 1.61 0.01 0.26 -4.72 113.70 113.31 1ot4 s SER 13 Ca 0.52 -0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.61 1ot4 s SER 13 Cb -0.30 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.35 1ot4 s SER 13 CO 0.63 -2.43 0.11 -1.61 0.41 0.00 0.00 173.24 170.35 1ot4 s GLU 14 N 6.89 3.83 0.00 12.44 2.02 -1.26 -0.10 118.70 142.52 1ot4 s GLU 14 Ca 0.65 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1ot4 s GLU 14 Cb -0.10 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.71 1ot4 s GLU 14 CO 0.13 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1ot4 n GLY 15 N 4.65 2.56 3.56 -1.39 0.00 -1.19 -4.95 105.19 108.43 1ot4 n GLY 15 Ca -0.15 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.78 0.28 4.61 0.00 -1.24 -0.01 121.76 123.62 1ot4 s ALA 16 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1ot4 s ALA 16 Cb 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 23.12 23.50 1ot4 s ALA 16 CO 0.00 -0.77 1.08 0.00 0.00 0.00 0.00 175.76 176.07 1ot4 s ALA 17 N -3.17 3.38 -1.87 0.00 0.00 -1.26 -4.75 121.76 114.08 1ot4 s ALA 17 Ca 0.06 0.86 0.24 0.00 0.00 0.00 0.00 51.96 53.12 1ot4 s ALA 17 Cb -0.01 -3.31 1.37 0.00 0.00 0.00 0.00 23.12 21.16 1ot4 s ALA 17 CO -0.07 -0.13 1.78 -0.35 0.00 0.00 0.00 175.76 177.00 1ot4 n PRO 18 N 1.14 0.65 0.00 0.00 -0.04 -1.26 -4.87 135.00 130.62 1ot4 n PRO 18 Ca -0.01 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ot4 n PRO 18 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.06 0.00 -2.62 0.55 0.00 -1.26 -4.84 120.51 111.28 1ot4 n ALA 19 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1ot4 n ALA 19 Cb 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 1.15 0.05 0.00 0.00 -1.26 -4.53 119.74 115.15 1ot4 s LYS 20 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 55.97 54.75 1ot4 s LYS 20 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 37.83 38.15 1ot4 s LYS 20 CO 0.00 -0.41 -0.01 0.42 0.00 0.00 0.00 175.35 175.34 1ot4 s ILE 21 N -4.00 3.98 0.09 3.79 1.09 0.15 -4.86 121.20 121.44 1ot4 s ILE 21 Ca 0.20 -0.84 0.09 0.00 -1.10 0.00 0.00 60.65 59.00 1ot4 s ILE 21 Cb 0.04 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 1ot4 s ILE 21 CO 0.02 0.24 -0.21 -0.70 -0.10 0.00 0.00 174.94 174.20 1ot4 s GLU 22 N -1.92 1.79 -0.06 2.79 -6.30 -0.20 -0.37 118.70 114.43 1ot4 s GLU 22 Ca 0.22 -1.15 -0.11 0.00 -2.50 0.00 0.00 54.97 51.43 1ot4 s GLU 22 Cb -0.12 -2.08 0.02 0.00 0.00 0.00 0.00 34.13 31.96 1ot4 s GLU 22 CO 0.14 0.49 0.28 -0.51 0.02 0.00 0.00 175.26 175.68 1ot4 s LEU 23 N -1.83 0.97 0.06 2.70 1.43 0.15 0.47 118.68 122.63 1ot4 s LEU 23 Ca 0.16 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1ot4 s LEU 23 Cb -0.10 1.04 -0.03 0.00 0.03 0.00 0.00 46.19 47.13 1ot4 s LEU 23 CO 0.07 -0.26 -0.06 -1.00 0.23 0.00 0.00 176.35 175.34 1ot4 s HIS 24 N -0.57 0.63 0.19 0.29 3.76 0.21 -0.76 115.29 119.04 1ot4 s HIS 24 Ca -0.07 -0.74 -0.17 0.00 -0.15 0.00 0.00 55.06 53.94 1ot4 s HIS 24 Cb -0.04 -0.39 0.02 0.00 1.11 0.00 0.00 32.58 33.28 1ot4 s HIS 24 CO 0.02 -0.18 0.50 -0.06 -0.85 0.00 0.00 174.74 174.17 1ot4 s PHE 25 N -2.54 -0.06 -0.17 1.40 0.40 -1.07 -3.49 117.98 112.44 1ot4 s PHE 25 Ca -0.01 -0.28 0.11 0.00 -0.60 0.00 0.00 56.93 56.14 1ot4 s PHE 25 Cb -0.02 0.35 -0.16 0.00 0.51 0.00 0.00 43.02 43.70 1ot4 s PHE 25 CO -0.03 -0.90 0.31 -1.13 0.70 0.00 0.00 175.22 174.16 1ot4 n SER 26 N -0.33 1.84 -1.39 1.36 3.41 -1.26 -4.68 113.62 112.57 1ot4 n SER 26 Ca -0.10 -0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.24 1ot4 n SER 26 Cb 0.62 1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ot4 n GLU 27 N -1.69 0.24 0.00 4.33 1.02 -1.26 -5.02 120.64 118.26 1ot4 n GLU 27 Ca -0.01 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 1ot4 n GLU 27 Cb 0.25 0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ot4 n ASN 28 N -0.10 0.00 -3.49 1.62 5.15 -1.26 -4.84 115.26 112.34 1ot4 n ASN 28 Ca -0.18 0.52 -0.39 0.00 -0.60 0.00 0.00 54.58 53.93 1ot4 n ASN 28 Cb 0.83 -0.02 0.04 0.00 -0.53 0.00 0.00 39.78 40.09 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 -1.07 -2.41 0.00 1.20 7.94 -1.26 -4.79 117.00 116.60 1ot4 n LEU 29 Ca 0.00 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 1ot4 n LEU 29 Cb 0.00 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.38 1ot4 n LEU 29 CO 0.00 0.02 0.00 0.52 -1.11 0.00 0.00 177.39 176.82 1ot4 n VAL 30 N -0.21 0.00 -3.89 1.96 0.31 -1.26 -4.83 118.33 110.41 1ot4 n VAL 30 Ca -0.09 0.08 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 1ot4 n VAL 30 Cb 0.68 -0.99 -0.01 0.00 -0.91 0.00 0.00 33.84 32.61 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 -3.47 0.00 2.52 -1.04 -1.26 -4.73 114.28 106.31 1ot4 n THR 31 Ca 0.00 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1ot4 n THR 31 Cb 0.00 -2.95 0.00 0.00 -1.82 0.00 0.00 70.33 65.56 1ot4 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ot4 n GLN 32 N -4.37 0.00 -0.85 -2.82 6.02 -1.26 -5.03 117.38 109.07 1ot4 n GLN 32 Ca -0.30 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.64 1ot4 n GLN 32 Cb 0.68 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.90 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ot4 n PHE 33 N -0.34 0.00 -3.01 1.08 3.72 -1.26 -5.13 117.46 112.52 1ot4 n PHE 33 Ca 0.00 -0.34 -0.38 0.00 -0.05 0.00 0.00 57.45 56.68 1ot4 n PHE 33 Cb 0.00 0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.72 7.27 0.00 4.37 0.15 -1.26 -4.89 113.70 118.62 1ot4 s SER 34 Ca 0.01 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1ot4 s SER 34 Cb 0.01 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1ot4 s SER 34 CO -0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1ot4 n GLY 35 N 1.23 -0.52 3.20 9.45 0.00 0.27 -4.94 105.19 113.88 1ot4 n GLY 35 Ca -0.04 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 1.11 -0.23 4.61 0.00 -1.26 0.37 121.76 124.36 1ot4 s ALA 36 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.35 1ot4 s ALA 36 Cb 0.00 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.72 1ot4 s ALA 36 CO 0.00 -0.34 0.54 0.15 0.00 0.00 0.00 175.76 176.11 1ot4 s LYS 37 N -3.93 0.53 -0.10 0.00 1.02 0.14 -4.87 119.74 112.54 1ot4 s LYS 37 Ca 0.20 1.03 -0.19 0.00 0.02 0.00 0.00 55.97 57.04 1ot4 s LYS 37 Cb 0.06 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1ot4 s LYS 37 CO 0.01 -0.16 0.52 -1.17 -0.92 0.00 0.00 175.35 173.62 1ot4 s LEU 38 N 1.67 4.30 -0.00 3.17 2.96 -1.26 -1.49 118.68 128.02 1ot4 s LEU 38 Ca -0.09 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.76 1ot4 s LEU 38 Cb -0.07 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 1ot4 s LEU 38 CO -0.16 0.00 -0.13 0.68 -1.32 0.00 0.00 176.35 175.41 1ot4 s VAL 39 N 0.54 1.06 -0.72 1.68 -7.23 -1.16 -0.77 120.40 113.80 1ot4 s VAL 39 Ca 0.28 -0.63 -0.18 0.00 -1.81 0.00 0.00 61.98 59.64 1ot4 s VAL 39 Cb -0.16 -0.89 0.13 0.00 0.56 0.00 0.00 36.38 36.02 1ot4 s VAL 39 CO 0.12 0.25 0.83 -0.32 -0.31 0.00 0.00 175.10 175.67 1ot4 s MET 40 N -0.44 3.29 -0.55 4.82 1.75 0.15 -1.40 119.30 126.93 1ot4 s MET 40 Ca 0.05 -1.64 0.06 0.00 -1.25 0.00 0.00 55.69 52.91 1ot4 s MET 40 Cb -0.06 -4.45 0.35 0.00 2.84 0.00 0.00 34.83 33.51 1ot4 s MET 40 CO -0.00 -1.56 0.93 -2.37 -0.65 0.00 0.00 175.02 171.37 1ot4 n THR 41 N 5.23 2.65 0.00 10.11 5.66 -1.17 -2.46 114.28 134.31 1ot4 n THR 41 Ca 0.03 -5.42 0.00 0.00 -3.05 0.00 0.00 64.05 55.61 1ot4 n THR 41 Cb 0.45 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 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 -0.20 -0.21 -3.86 1.79 0.00 0.94 -4.31 120.51 114.66 1ot4 n ALA 42 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 1ot4 n ALA 42 Cb 0.44 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1ot4 n ALA 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ot4 s MET 43 N -2.17 2.10 -0.18 0.00 1.75 -1.26 -4.86 119.30 114.68 1ot4 s MET 43 Ca 0.00 -2.38 -0.29 0.00 -1.25 0.00 0.00 55.69 51.77 1ot4 s MET 43 Cb 0.00 -3.47 -0.01 0.00 2.84 0.00 0.00 34.83 34.19 1ot4 s MET 43 CO 0.00 -1.10 1.28 -1.25 -0.65 0.00 0.00 175.02 173.30 1ot4 s PRO 44 N 0.14 4.19 -0.06 4.11 0.04 -1.26 -4.85 135.00 137.31 1ot4 s PRO 44 Ca 0.15 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1ot4 s PRO 44 Cb -0.23 -3.79 -0.06 0.00 0.04 0.00 0.00 34.50 30.47 1ot4 s PRO 44 CO -0.03 -0.76 -0.02 0.41 0.04 0.00 0.00 177.00 176.64 1ot4 n GLY 45 N 3.71 -0.18 2.55 0.56 0.00 -1.26 -4.67 105.19 105.90 1ot4 n GLY 45 Ca 0.14 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.44 4.10 -3.56 1.61 2.81 -1.26 -4.74 117.12 113.64 1ot4 n MET 46 Ca -0.10 -3.18 -0.28 0.00 -1.81 0.00 0.00 57.70 52.33 1ot4 n MET 46 Cb 0.65 -2.77 0.02 0.00 -0.71 0.00 0.00 33.22 30.41 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 2.84 -1.75 -3.01 0.03 0.00 -1.26 -3.70 120.64 113.79 1ot4 n GLU 47 Ca 0.60 1.19 -0.05 0.00 0.00 0.00 0.00 57.16 58.89 1ot4 n GLU 47 Cb 0.28 -2.66 0.01 0.00 0.00 0.00 0.00 31.44 29.06 1ot4 n GLU 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ot4 n HIS 48 N -1.38 -2.28 -3.84 4.31 8.25 -1.26 -4.94 115.22 114.08 1ot4 n HIS 48 Ca -0.17 0.99 -0.28 0.00 -0.26 0.00 0.00 57.72 58.00 1ot4 n HIS 48 Cb 0.66 -2.62 -0.12 0.00 1.12 0.00 0.00 29.99 29.04 1ot4 n HIS 48 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ot4 n SER 49 N 0.72 3.13 -4.77 0.41 3.41 -1.24 -5.04 113.62 110.23 1ot4 n SER 49 Ca 0.00 -3.25 -0.38 0.00 -0.26 0.00 0.00 58.87 54.99 1ot4 n SER 49 Cb 0.32 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ot4 s PRO 50 N -1.61 4.37 -0.38 4.33 0.04 -1.26 -4.81 135.00 135.68 1ot4 s PRO 50 Ca 0.27 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 1ot4 s PRO 50 Cb -0.02 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.79 1ot4 s PRO 50 CO -0.15 0.02 0.17 -1.64 0.04 0.00 0.00 177.00 175.44 1ot4 s MET 51 N -2.05 2.38 0.28 4.56 -1.94 -1.03 -4.88 119.30 116.63 1ot4 s MET 51 Ca 0.52 -1.50 -0.29 0.00 -1.71 0.00 0.00 55.69 52.71 1ot4 s MET 51 Cb -0.26 -3.56 -0.14 0.00 2.01 0.00 0.00 34.83 32.88 1ot4 s MET 51 CO 0.33 -0.89 1.16 0.00 -0.01 0.00 0.00 175.02 175.61 1ot4 n ALA 52 N 4.75 0.34 -2.70 3.03 0.00 -1.26 0.31 120.51 124.98 1ot4 n ALA 52 Ca -0.08 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1ot4 n ALA 52 Cb 0.43 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.82 3.81 -0.75 0.00 0.11 0.05 -4.80 120.40 117.99 1ot4 s VAL 53 Ca 0.61 -1.60 -0.27 0.00 -2.93 0.00 0.00 61.98 57.79 1ot4 s VAL 53 Cb -0.67 -3.00 0.03 0.00 -1.53 0.00 0.00 36.38 31.21 1ot4 s VAL 53 CO 0.58 -0.27 1.29 -0.75 -3.33 0.00 0.00 175.10 172.62 1ot4 s LYS 54 N -3.45 3.21 0.28 1.54 2.20 -1.26 -4.73 119.74 117.52 1ot4 s LYS 54 Ca 0.30 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1ot4 s LYS 54 Cb -0.08 -4.24 -0.02 0.00 -1.51 0.00 0.00 37.83 31.98 1ot4 s LYS 54 CO 0.21 -2.16 0.31 0.00 -0.36 0.00 0.00 175.35 173.35 1ot4 s ALA 55 N 5.72 1.09 -0.05 3.13 0.00 -1.26 -2.35 121.76 128.04 1ot4 s ALA 55 Ca 0.36 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 1ot4 s ALA 55 Cb -0.08 1.32 0.02 0.00 0.00 0.00 0.00 23.12 24.38 1ot4 s ALA 55 CO 0.14 -0.70 0.24 0.00 0.00 0.00 0.00 175.76 175.44 1ot4 s ALA 56 N -3.65 -0.59 -0.16 0.00 0.00 -1.03 -4.84 121.76 111.48 1ot4 s ALA 56 Ca 0.35 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 1ot4 s ALA 56 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1ot4 s ALA 56 CO 0.18 -0.18 0.48 0.54 0.00 0.00 0.00 175.76 176.79 1ot4 s VAL 57 N -0.61 5.16 -0.04 0.00 0.11 -1.26 -1.40 120.40 122.36 1ot4 s VAL 57 Ca -0.07 0.92 0.01 0.00 -2.93 0.00 0.00 61.98 59.90 1ot4 s VAL 57 Cb -0.04 -3.81 0.02 0.00 -1.53 0.00 0.00 36.38 31.02 1ot4 s VAL 57 CO 0.02 0.26 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.59 1ot4 s SER 58 N 0.88 0.72 0.83 3.54 0.01 0.78 -4.97 113.70 115.50 1ot4 s SER 58 Ca 0.24 -0.07 -0.12 0.00 1.31 0.00 0.00 55.95 57.31 1ot4 s SER 58 Cb -0.15 -0.33 0.09 0.00 0.21 0.00 0.00 66.02 65.84 1ot4 s SER 58 CO 0.10 -0.09 1.12 -0.83 0.41 0.00 0.00 173.24 173.95 1ot4 s GLY 59 N 1.05 1.60 -0.91 3.44 0.00 -1.26 0.39 107.32 111.63 1ot4 s GLY 59 Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1ot4 s GLY 59 CO -0.01 0.10 1.38 0.61 0.00 0.00 0.00 173.10 175.18 1ot4 n GLY 60 N -2.33 5.50 4.62 0.20 0.00 -0.16 -4.73 105.19 108.29 1ot4 n GLY 60 Ca 0.07 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 0.54 1.61 3.83 -0.02 0.00 -1.26 -4.87 105.19 105.01 1ot4 n GLY 61 Ca 0.34 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 6.96 0.00 1.61 1.01 -1.26 -4.95 116.67 120.04 1ot4 s ASP 62 Ca 0.00 1.35 0.22 0.00 0.71 0.00 0.00 52.55 54.82 1ot4 s ASP 62 Cb 0.00 -2.39 0.94 0.00 1.01 0.00 0.00 42.92 42.48 1ot4 s ASP 62 CO 0.00 -0.02 1.70 -0.81 0.21 0.00 0.00 175.17 176.25 1ot4 n PRO 63 N 0.47 0.01 0.02 8.23 -0.04 -1.26 -2.33 135.00 140.10 1ot4 n PRO 63 Ca -0.01 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 1ot4 n PRO 63 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1ot4 n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ot4 n LYS 64 N -1.49 0.64 -3.25 0.54 2.85 -1.26 -4.42 118.16 111.76 1ot4 n LYS 64 Ca 0.05 0.04 -0.41 0.00 -1.05 0.00 0.00 58.31 56.95 1ot4 n LYS 64 Cb 0.25 -1.69 -0.08 0.00 -0.65 0.00 0.00 35.03 32.86 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 -3.15 5.03 0.04 0.58 2.01 -0.98 -2.61 115.64 116.55 1ot4 s THR 65 Ca -0.05 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1ot4 s THR 65 Cb 0.10 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1ot4 s THR 65 CO 0.84 -0.14 0.03 -0.04 -0.69 0.00 0.00 174.62 174.61 1ot4 s MET 66 N 2.36 2.79 -0.16 4.92 -1.94 0.06 -0.99 119.30 126.34 1ot4 s MET 66 Ca 0.19 -0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 53.46 1ot4 s MET 66 Cb -0.15 -2.68 0.08 0.00 2.01 0.00 0.00 34.83 34.09 1ot4 s MET 66 CO 0.12 0.60 0.22 0.08 -0.01 0.00 0.00 175.02 176.03 1ot4 s VAL 67 N -1.22 -0.34 -0.29 -6.03 1.01 0.16 0.34 120.40 114.03 1ot4 s VAL 67 Ca 0.24 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1ot4 s VAL 67 Cb -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1ot4 s VAL 67 CO 0.15 -0.05 0.86 -0.63 0.00 0.00 0.00 175.10 175.43 1ot4 s ILE 68 N 2.35 4.74 -0.28 2.22 1.09 0.50 -0.15 121.20 131.67 1ot4 s ILE 68 Ca 0.05 1.41 0.02 0.00 -1.10 0.00 0.00 60.65 61.02 1ot4 s ILE 68 Cb -0.14 -4.20 0.08 0.00 -1.06 0.00 0.00 42.46 37.13 1ot4 s ILE 68 CO -0.10 -0.26 -0.02 -0.89 -0.10 0.00 0.00 174.94 173.58 1ot4 s THR 69 N 3.08 1.79 0.17 2.92 2.01 -0.49 -0.67 115.64 124.44 1ot4 s THR 69 Ca 0.36 -1.64 -0.30 0.00 0.31 0.00 0.00 61.69 60.42 1ot4 s THR 69 Cb -0.14 -2.13 -0.07 0.00 0.01 0.00 0.00 72.50 70.17 1ot4 s THR 69 CO 0.12 -0.29 1.12 -2.16 -0.69 0.00 0.00 174.62 172.72 1ot4 s PRO 70 N 1.22 4.56 0.46 4.92 0.04 -1.26 -2.46 135.00 142.49 1ot4 s PRO 70 Ca 0.00 1.74 0.17 0.00 0.04 0.00 0.00 61.00 62.96 1ot4 s PRO 70 Cb -0.19 -3.28 1.10 0.00 0.04 0.00 0.00 34.50 32.17 1ot4 s PRO 70 CO -0.09 0.01 2.01 0.00 0.04 0.00 0.00 177.00 178.98 1ot4 h ALA 71 N 5.31 1.62 -2.86 8.56 0.00 -1.79 -3.42 119.26 126.68 1ot4 h ALA 71 Ca -0.44 -0.15 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1ot4 h ALA 71 Cb 1.21 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1ot4 h ALA 71 CO 0.74 0.21 -0.52 0.45 0.00 0.00 0.00 179.25 180.13 1ot4 s SER 72 N -6.84 6.10 0.14 0.00 0.15 -1.23 -5.08 113.70 106.95 1ot4 s SER 72 Ca -0.04 0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 1ot4 s SER 72 Cb 0.15 -1.80 -0.07 0.00 -1.71 0.00 0.00 66.02 62.59 1ot4 s SER 72 CO 0.67 0.13 1.13 -2.16 1.20 0.00 0.00 173.24 174.22 1ot4 s PRO 73 N -2.72 4.54 -0.26 5.44 0.04 -1.26 -4.98 135.00 135.79 1ot4 s PRO 73 Ca 0.33 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 1ot4 s PRO 73 Cb -0.12 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1ot4 s PRO 73 CO 0.26 -0.04 1.25 -0.51 0.04 0.00 0.00 177.00 178.01 1ot4 s LEU 74 N 0.04 3.98 0.54 -3.56 1.43 -1.26 -5.01 118.68 114.83 1ot4 s LEU 74 Ca 0.52 1.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.01 1ot4 s LEU 74 Cb -0.30 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.44 1ot4 s LEU 74 CO 0.34 -0.95 0.74 0.42 0.23 0.00 0.00 176.35 177.13 1ot4 s THR 75 N 3.99 2.51 1.03 5.49 -4.23 -1.26 -4.74 115.64 118.42 1ot4 s THR 75 Ca 0.54 -0.91 -0.19 0.00 -1.18 0.00 0.00 61.69 59.95 1ot4 s THR 75 Cb -0.17 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1ot4 s THR 75 CO 0.19 0.00 -0.35 0.00 -0.54 0.00 0.00 174.62 173.92 1ot4 n ALA 76 N -2.19 -3.30 0.00 3.99 0.00 -1.26 -4.78 120.51 112.97 1ot4 n ALA 76 Ca 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1ot4 n ALA 76 Cb 0.60 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1ot4 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ot4 n GLY 77 N 2.59 0.23 3.39 0.00 0.00 0.75 -4.89 105.19 107.27 1ot4 n GLY 77 Ca 0.01 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.01 0.27 2.61 2.01 -1.26 0.28 115.64 119.54 1ot4 s THR 78 Ca 0.00 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1ot4 s THR 78 Cb 0.00 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1ot4 s THR 78 CO 0.00 0.01 0.19 -0.31 -0.69 0.00 0.00 174.62 173.82 1ot4 s TYR 79 N 0.75 1.49 -0.12 4.92 1.51 -0.52 -0.04 117.35 125.34 1ot4 s TYR 79 Ca -0.04 -1.48 -0.04 0.00 -1.01 0.00 0.00 57.07 54.51 1ot4 s TYR 79 Cb -0.05 -0.70 0.06 0.00 -0.11 0.00 0.00 41.96 41.16 1ot4 s TYR 79 CO -0.06 -0.69 0.12 0.21 -1.11 0.00 0.00 175.55 174.03 1ot4 s LYS 80 N -3.82 0.04 -0.27 -0.62 2.20 -0.49 -0.90 119.74 115.88 1ot4 s LYS 80 Ca 0.39 0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 55.98 1ot4 s LYS 80 Cb 0.05 -1.05 -0.00 0.00 -1.51 0.00 0.00 37.83 35.32 1ot4 s LYS 80 CO 0.19 -0.50 0.83 0.08 -0.36 0.00 0.00 175.35 175.59 1ot4 s VAL 81 N 2.21 4.79 -0.20 4.02 1.01 0.23 -2.97 120.40 129.49 1ot4 s VAL 81 Ca 0.04 1.43 -0.09 0.00 0.00 0.00 0.00 61.98 63.35 1ot4 s VAL 81 Cb -0.14 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1ot4 s VAL 81 CO -0.07 -0.18 0.12 -1.81 0.00 0.00 0.00 175.10 173.16 1ot4 s ASP 82 N 1.48 6.09 0.21 3.32 1.11 -0.56 0.40 116.67 128.73 1ot4 s ASP 82 Ca 0.35 0.20 0.08 0.00 0.18 0.00 0.00 52.55 53.36 1ot4 s ASP 82 Cb -0.15 -2.07 -0.05 0.00 1.07 0.00 0.00 42.92 41.73 1ot4 s ASP 82 CO 0.10 0.18 -0.16 -1.66 1.18 0.00 0.00 175.17 174.81 1ot4 s TRP 83 N 0.38 1.81 -0.16 4.23 1.48 0.24 0.26 118.94 127.18 1ot4 s TRP 83 Ca 0.07 -0.52 -0.09 0.00 -1.06 0.00 0.00 56.10 54.50 1ot4 s TRP 83 Cb -0.11 -0.83 0.06 0.00 -1.16 0.00 0.00 33.47 31.42 1ot4 s TRP 83 CO -0.01 0.41 0.39 1.03 -4.06 0.00 0.00 176.95 174.71 1ot4 s ARG 84 N -3.53 0.37 0.24 3.25 0.52 0.16 -0.97 118.95 118.99 1ot4 s ARG 84 Ca 0.23 0.76 0.11 0.00 -0.52 0.00 0.00 55.73 56.31 1ot4 s ARG 84 Cb -0.02 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.37 1ot4 s ARG 84 CO 0.08 -0.16 -0.14 0.00 0.02 0.00 0.00 175.30 175.10 1ot4 s ALA 85 N 1.41 2.85 0.11 2.13 0.00 -0.03 -0.56 121.76 127.66 1ot4 s ALA 85 Ca -0.09 -1.71 0.08 0.00 0.00 0.00 0.00 51.96 50.24 1ot4 s ALA 85 Cb -0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1ot4 s ALA 85 CO -0.12 0.33 -0.16 0.54 0.00 0.00 0.00 175.76 176.35 1ot4 s VAL 86 N -2.18 2.95 -0.14 0.00 0.11 -1.26 -1.21 120.40 118.67 1ot4 s VAL 86 Ca 0.28 -1.42 -0.07 0.00 -2.93 0.00 0.00 61.98 57.84 1ot4 s VAL 86 Cb -0.06 -2.35 -0.06 0.00 -1.53 0.00 0.00 36.38 32.38 1ot4 s VAL 86 CO 0.15 0.13 -0.18 -1.20 -3.33 0.00 0.00 175.10 170.67 1ot4 n SER 87 N 0.85 0.99 0.11 3.54 7.64 -1.24 -4.92 113.62 120.58 1ot4 n SER 87 Ca -0.15 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1ot4 n SER 87 Cb 0.53 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -3.63 -0.32 0.00 6.43 2.88 -1.26 -5.07 113.62 112.65 1ot4 n SER 88 Ca -0.27 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1ot4 n SER 88 Cb 0.68 0.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.60 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 -3.18 0.00 -2.87 -3.46 2.03 -1.26 -4.99 116.55 102.83 1ot4 n ASP 89 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1ot4 n ASP 89 Cb 0.00 0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ot4 n THR 90 N -0.89 3.37 -2.69 5.18 -2.24 -1.26 -4.70 114.28 111.05 1ot4 n THR 90 Ca 0.00 -5.16 -0.06 0.00 -2.27 0.00 0.00 64.05 56.56 1ot4 n THR 90 Cb 0.00 -1.34 0.09 0.00 -2.10 0.00 0.00 70.33 66.97 1ot4 n THR 90 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ot4 n HIS 91 N -0.36 -1.54 -2.50 4.78 -0.00 -1.26 -5.11 115.22 109.23 1ot4 n HIS 91 Ca 0.41 -1.21 -0.41 0.00 -0.00 0.00 0.00 57.72 56.51 1ot4 n HIS 91 Cb 0.44 1.33 -0.04 0.00 -0.00 0.00 0.00 29.99 31.71 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 0.24 4.63 -0.36 1.57 0.04 -1.26 -3.68 135.00 136.18 1ot4 s PRO 92 Ca 0.25 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1ot4 s PRO 92 Cb 0.26 -3.23 0.10 0.00 0.04 0.00 0.00 34.50 31.66 1ot4 s PRO 92 CO -0.14 0.17 0.09 0.96 0.04 0.00 0.00 177.00 178.11 1ot4 s ILE 93 N -0.76 2.71 0.81 0.56 -4.36 -0.35 -5.01 121.20 114.81 1ot4 s ILE 93 Ca 0.46 -2.10 -0.09 0.00 -0.26 0.00 0.00 60.65 58.66 1ot4 s ILE 93 Cb -0.31 -2.87 0.13 0.00 1.25 0.00 0.00 42.46 40.66 1ot4 s ILE 93 CO 0.38 -0.55 1.14 0.42 0.24 0.00 0.00 174.94 176.57 1ot4 s THR 94 N 1.04 2.12 0.00 8.37 -4.23 -1.26 -0.85 115.64 120.82 1ot4 s THR 94 Ca 0.07 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1ot4 s THR 94 Cb -0.21 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1ot4 s THR 94 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1ot4 n GLY 95 N -3.25 1.42 3.00 3.99 0.00 -0.14 -4.87 105.19 105.34 1ot4 n GLY 95 Ca 0.13 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1ot4 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ot4 s SER 96 N 0.00 0.44 -0.23 1.61 0.01 -1.26 0.81 113.70 115.08 1ot4 s SER 96 Ca 0.00 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 1ot4 s SER 96 Cb 0.00 0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.36 1ot4 s SER 96 CO 0.00 -0.23 0.03 -0.69 0.41 0.00 0.00 173.24 172.75 1ot4 s VAL 97 N -1.27 0.89 0.16 3.43 1.01 0.16 -4.95 120.40 119.83 1ot4 s VAL 97 Ca -0.12 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 1ot4 s VAL 97 Cb -0.09 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 1ot4 s VAL 97 CO -0.00 -0.28 0.70 0.28 0.00 0.00 0.00 175.10 175.79 1ot4 s THR 98 N 1.67 4.54 -0.05 3.92 -1.32 -1.26 -0.60 115.64 122.53 1ot4 s THR 98 Ca 0.00 1.42 -0.14 0.00 -1.21 0.00 0.00 61.69 61.76 1ot4 s THR 98 Cb -0.18 -3.98 0.03 0.00 -1.51 0.00 0.00 72.50 66.86 1ot4 s THR 98 CO -0.11 0.42 0.33 0.72 -2.21 0.00 0.00 174.62 173.77 1ot4 s PHE 99 N -1.27 -0.26 0.31 9.09 -0.12 -0.08 0.45 117.98 126.11 1ot4 s PHE 99 Ca 0.36 0.50 0.07 0.00 -0.05 0.00 0.00 56.93 57.82 1ot4 s PHE 99 Cb -0.20 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1ot4 s PHE 99 CO 0.23 -0.33 0.26 0.15 -0.05 0.00 0.00 175.22 175.48 1ot4 s LYS 100 N -0.84 2.79 -0.11 1.99 1.02 0.86 -1.43 119.74 124.01 1ot4 s LYS 100 Ca -0.09 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 54.64 1ot4 s LYS 100 Cb -0.04 -2.51 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1ot4 s LYS 100 CO 0.03 0.20 0.23 0.08 -0.92 0.00 0.00 175.35 174.97 1ot4 s VAL 101 N -2.25 -0.32 -2.91 3.17 1.01 0.14 -3.16 120.40 116.09 1ot4 s VAL 101 Ca 0.38 0.28 0.25 0.00 0.00 0.00 0.00 61.98 62.89 1ot4 s VAL 101 Cb -0.06 -0.39 0.25 0.00 0.00 0.00 0.00 36.38 36.18 1ot4 s VAL 101 CO 0.26 0.12 1.35 0.29 0.00 0.00 0.00 175.10 177.11