#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 1.97 0.22 -1.40 0.04 -1.26 -5.09 135.00 129.48 1ot4 s PRO 2 Ca 0.00 0.60 0.03 0.00 0.04 0.00 0.00 61.00 61.67 1ot4 s PRO 2 Cb 0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1ot4 s PRO 2 CO 0.00 -1.69 -0.00 0.15 0.04 0.00 0.00 177.00 175.50 1ot4 s LYS 3 N -5.17 1.29 1.18 4.56 1.02 -1.26 -4.58 119.74 116.77 1ot4 s LYS 3 Ca 0.61 -1.64 -0.18 0.00 0.02 0.00 0.00 55.97 54.78 1ot4 s LYS 3 Cb -0.14 -0.54 0.21 0.00 -0.52 0.00 0.00 37.83 36.84 1ot4 s LYS 3 CO 0.54 -0.10 0.42 1.47 -0.92 0.00 0.00 175.35 176.76 1ot4 n LEU 4 N -0.38 -1.63 0.00 3.17 -0.00 -1.26 -4.95 117.00 111.95 1ot4 n LEU 4 Ca -0.05 -0.36 0.00 0.00 -0.00 0.00 0.00 56.01 55.60 1ot4 n LEU 4 Cb 0.64 -0.96 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 1ot4 n LEU 4 CO 0.36 -3.47 0.30 0.52 -0.00 0.00 0.00 177.39 175.09 1ot4 n VAL 5 N -4.82 0.00 -3.87 1.47 0.31 -1.26 -4.91 118.33 105.25 1ot4 n VAL 5 Ca 0.05 1.09 -0.11 0.00 -0.01 0.00 0.00 64.34 65.36 1ot4 n VAL 5 Cb 0.53 -2.05 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 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 0.02 0.19 4.52 0.01 -1.23 -5.06 113.70 110.06 1ot4 s SER 6 Ca 0.00 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 56.87 1ot4 s SER 6 Cb 0.00 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.48 1ot4 s SER 6 CO 0.00 -0.37 0.56 -0.94 0.41 0.00 0.00 173.24 172.90 1ot4 s SER 7 N -1.37 -0.36 -0.39 2.44 1.04 -1.26 0.79 113.70 114.58 1ot4 s SER 7 Ca -0.15 -0.32 0.12 0.00 0.48 0.00 0.00 55.95 56.08 1ot4 s SER 7 Cb -0.08 0.59 0.36 0.00 0.10 0.00 0.00 66.02 67.00 1ot4 s SER 7 CO 0.02 -1.04 0.79 0.41 0.98 0.00 0.00 173.24 174.40 1ot4 n THR 8 N -0.35 0.45 0.00 2.02 -1.04 0.18 -4.91 114.28 110.62 1ot4 n THR 8 Ca -0.12 -4.56 0.00 0.00 -2.04 0.00 0.00 64.05 57.33 1ot4 n THR 8 Cb 0.63 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.16 0.00 -2.31 -2.82 -0.04 -1.11 -1.38 135.00 127.49 1ot4 n PRO 9 Ca 0.24 0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.98 1ot4 n PRO 9 Cb 0.64 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.42 -1.76 -1.36 0.55 0.00 -1.26 -4.50 120.51 110.76 1ot4 n ALA 10 Ca 0.00 -0.37 -0.53 0.00 0.00 0.00 0.00 53.44 52.53 1ot4 n ALA 10 Cb 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.44 0.46 -3.80 0.00 1.02 -1.26 -0.51 120.64 116.11 1ot4 n GLU 11 Ca -0.18 0.11 -0.31 0.00 -0.02 0.00 0.00 57.16 56.77 1ot4 n GLU 11 Cb 0.63 -1.95 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 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 6.96 -0.35 3.56 0.62 0.00 0.18 -4.74 105.19 111.42 1ot4 n GLY 12 Ca 0.50 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.72 5.62 -0.24 1.61 0.01 0.33 -4.75 113.70 113.56 1ot4 s SER 13 Ca 0.60 -0.50 -0.12 0.00 1.31 0.00 0.00 55.95 57.24 1ot4 s SER 13 Cb -0.35 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.28 1ot4 s SER 13 CO 0.74 -2.25 0.21 -1.61 0.41 0.00 0.00 173.24 170.74 1ot4 s GLU 14 N 6.41 4.08 0.00 12.44 2.02 -1.26 -0.65 118.70 141.73 1ot4 s GLU 14 Ca 0.59 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.39 1ot4 s GLU 14 Cb -0.07 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1ot4 s GLU 14 CO 0.06 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1ot4 n GLY 15 N 4.29 1.30 3.81 -1.39 0.00 -1.15 -4.95 105.19 107.09 1ot4 n GLY 15 Ca -0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.43 0.16 4.61 0.00 -1.23 -0.06 121.76 123.82 1ot4 s ALA 16 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1ot4 s ALA 16 Cb 0.00 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 1ot4 s ALA 16 CO 0.00 -1.04 1.10 0.00 0.00 0.00 0.00 175.76 175.82 1ot4 s ALA 17 N -3.07 3.36 0.75 0.00 0.00 -1.26 -4.63 121.76 116.90 1ot4 s ALA 17 Ca 0.14 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1ot4 s ALA 17 Cb -0.03 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1ot4 s ALA 17 CO 0.05 -0.22 1.08 -1.25 0.00 0.00 0.00 175.76 175.43 1ot4 s PRO 18 N -0.22 2.48 0.02 0.00 0.04 -1.26 -5.00 135.00 131.06 1ot4 s PRO 18 Ca 0.50 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.05 1ot4 s PRO 18 Cb -0.29 -1.95 -0.16 0.00 0.04 0.00 0.00 34.50 32.14 1ot4 s PRO 18 CO 0.34 -1.38 1.19 0.00 0.04 0.00 0.00 177.00 177.20 1ot4 h ALA 19 N -0.92 -0.84 -2.44 8.56 0.00 -1.95 -3.47 119.26 118.20 1ot4 h ALA 19 Ca -0.45 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.15 1ot4 h ALA 19 Cb 1.24 0.33 -0.19 0.00 0.00 0.00 0.00 17.79 19.17 1ot4 h ALA 19 CO 0.58 -0.84 -0.16 -1.59 0.00 0.00 0.00 179.25 177.24 1ot4 s LYS 20 N -4.82 0.80 0.01 0.00 -2.85 -1.26 -4.79 119.74 106.82 1ot4 s LYS 20 Ca -0.15 -0.20 -0.25 0.00 -1.00 0.00 0.00 55.97 54.38 1ot4 s LYS 20 Cb 0.02 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1ot4 s LYS 20 CO 0.47 -0.25 0.76 0.42 0.10 0.00 0.00 175.35 176.86 1ot4 s ILE 21 N -1.71 4.83 0.05 3.79 1.09 0.37 -4.82 121.20 124.80 1ot4 s ILE 21 Ca -0.10 1.60 0.03 0.00 -1.10 0.00 0.00 60.65 61.08 1ot4 s ILE 21 Cb -0.03 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1ot4 s ILE 21 CO 0.03 0.32 0.02 -1.61 -0.10 0.00 0.00 174.94 173.60 1ot4 s GLU 22 N 0.24 2.73 -0.06 2.79 8.01 -0.48 0.32 118.70 132.25 1ot4 s GLU 22 Ca 0.39 -0.70 -0.10 0.00 0.01 0.00 0.00 54.97 54.57 1ot4 s GLU 22 Cb -0.20 -2.64 0.02 0.00 -4.31 0.00 0.00 34.13 27.00 1ot4 s GLU 22 CO 0.22 0.58 0.25 -0.51 0.01 0.00 0.00 175.26 175.81 1ot4 s LEU 23 N -2.01 1.07 0.08 1.80 1.43 -0.07 0.49 118.68 121.47 1ot4 s LEU 23 Ca 0.24 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1ot4 s LEU 23 Cb -0.12 0.94 -0.04 0.00 0.03 0.00 0.00 46.19 47.00 1ot4 s LEU 23 CO 0.16 -0.22 -0.07 -1.00 0.23 0.00 0.00 176.35 175.45 1ot4 s HIS 24 N -0.44 0.84 -0.36 0.29 3.76 0.24 0.10 115.29 119.71 1ot4 s HIS 24 Ca -0.06 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.16 1ot4 s HIS 24 Cb -0.04 -0.48 0.17 0.00 1.11 0.00 0.00 32.58 33.34 1ot4 s HIS 24 CO 0.01 -0.11 0.51 -0.06 -0.85 0.00 0.00 174.74 174.24 1ot4 s PHE 25 N -2.72 -1.19 -1.23 1.40 0.08 0.39 -3.58 117.98 111.12 1ot4 s PHE 25 Ca 0.04 0.07 0.15 0.00 0.12 0.00 0.00 56.93 57.31 1ot4 s PHE 25 Cb -0.01 0.01 0.69 0.00 -0.57 0.00 0.00 43.02 43.15 1ot4 s PHE 25 CO -0.02 -1.07 1.44 0.43 -0.10 0.00 0.00 175.22 175.90 1ot4 n SER 26 N 4.70 0.00 -2.03 1.36 7.64 -1.26 -2.20 113.62 121.82 1ot4 n SER 26 Ca 0.08 0.27 -0.24 0.00 1.01 0.00 0.00 58.87 59.99 1ot4 n SER 26 Cb 0.52 -0.38 0.13 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.38 2.49 -1.57 1.43 4.07 -1.26 -5.03 120.64 119.38 1ot4 n GLU 27 Ca 0.05 -3.29 0.00 0.00 -0.06 0.00 0.00 57.16 53.86 1ot4 n GLU 27 Cb 0.14 -2.16 0.00 0.00 -0.06 0.00 0.00 31.44 29.36 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ot4 n ASN 28 N -1.01 -8.49 -3.77 4.31 4.05 -0.93 -4.88 115.26 104.53 1ot4 n ASN 28 Ca 0.54 1.49 -0.29 0.00 0.45 0.00 0.00 54.58 56.77 1ot4 n ASN 28 Cb 1.10 -4.88 -0.15 0.00 1.23 0.00 0.00 39.78 37.07 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ot4 s LEU 29 N -4.22 2.09 0.30 1.20 1.98 -1.26 -4.72 118.68 114.05 1ot4 s LEU 29 Ca 0.00 -1.37 -0.02 0.00 -2.89 0.00 0.00 54.13 49.85 1ot4 s LEU 29 Cb 0.00 -0.86 -0.04 0.00 0.66 0.00 0.00 46.19 45.94 1ot4 s LEU 29 CO 0.00 -0.36 0.53 -0.69 -1.89 0.00 0.00 176.35 173.94 1ot4 s VAL 30 N 1.63 5.08 -0.90 1.68 1.01 -1.26 -4.66 120.40 122.98 1ot4 s VAL 30 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1ot4 s VAL 30 Cb -0.17 -3.79 0.32 0.00 0.00 0.00 0.00 36.38 32.74 1ot4 s VAL 30 CO -0.17 -0.40 1.50 1.07 0.00 0.00 0.00 175.10 177.09 1ot4 n THR 31 N -1.26 5.03 -0.11 3.92 5.66 -1.26 -4.41 114.28 121.86 1ot4 n THR 31 Ca -0.03 -5.84 -0.20 0.00 -3.05 0.00 0.00 64.05 54.93 1ot4 n THR 31 Cb 0.55 -1.61 -0.09 0.00 -1.55 0.00 0.00 70.33 67.62 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 0.13 0.52 -0.34 1.09 -0.06 -1.26 -4.79 117.38 112.67 1ot4 n GLN 32 Ca 0.39 0.17 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 1ot4 n GLN 32 Cb 0.31 -1.39 0.00 0.00 -4.06 0.00 0.00 30.24 25.10 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 -3.57 0.00 -2.75 3.69 3.01 -1.26 -5.11 117.46 111.47 1ot4 n PHE 33 Ca -0.42 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 57.78 1ot4 n PHE 33 Cb 0.87 0.03 0.01 0.00 -0.01 0.00 0.00 39.48 40.38 1ot4 n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ot4 s SER 34 N -0.52 5.95 0.00 4.37 0.15 -1.26 -4.73 113.70 117.66 1ot4 s SER 34 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1ot4 s SER 34 Cb 0.00 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 1ot4 s SER 34 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1ot4 n GLY 35 N -2.25 -2.02 3.34 9.45 0.00 0.10 -4.98 105.19 108.83 1ot4 n GLY 35 Ca 0.01 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.57 -1.07 -0.22 4.61 0.00 -1.26 0.46 121.76 122.71 1ot4 s ALA 36 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.93 1ot4 s ALA 36 Cb 0.00 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.92 1ot4 s ALA 36 CO 0.00 -0.66 0.51 0.15 0.00 0.00 0.00 175.76 175.76 1ot4 s LYS 37 N -3.74 0.46 -0.04 0.00 1.02 0.15 -4.98 119.74 112.61 1ot4 s LYS 37 Ca 0.02 1.08 -0.14 0.00 0.02 0.00 0.00 55.97 56.95 1ot4 s LYS 37 Cb 0.01 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.56 1ot4 s LYS 37 CO -0.12 -0.20 0.37 -1.17 -0.92 0.00 0.00 175.35 173.31 1ot4 s LEU 38 N 2.13 4.43 -0.01 3.17 2.96 -1.26 -0.79 118.68 129.30 1ot4 s LEU 38 Ca -0.06 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1ot4 s LEU 38 Cb -0.10 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1ot4 s LEU 38 CO -0.15 0.29 -0.02 0.68 -1.32 0.00 0.00 176.35 175.83 1ot4 s VAL 39 N -0.78 0.19 -0.66 1.68 -7.23 -0.91 -0.58 120.40 112.11 1ot4 s VAL 39 Ca 0.22 -0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 60.14 1ot4 s VAL 39 Cb -0.16 -0.19 0.11 0.00 0.56 0.00 0.00 36.38 36.71 1ot4 s VAL 39 CO 0.11 0.08 0.79 -0.32 -0.31 0.00 0.00 175.10 175.44 1ot4 s MET 40 N 0.20 3.16 -0.80 4.82 1.75 0.18 -0.21 119.30 128.41 1ot4 s MET 40 Ca -0.02 -1.42 0.02 0.00 -1.25 0.00 0.00 55.69 53.03 1ot4 s MET 40 Cb -0.04 -4.35 0.33 0.00 2.84 0.00 0.00 34.83 33.61 1ot4 s MET 40 CO -0.01 -1.58 1.40 -2.37 -0.65 0.00 0.00 175.02 171.82 1ot4 n THR 41 N 5.45 4.56 0.36 10.11 5.66 -0.78 -3.21 114.28 136.43 1ot4 n THR 41 Ca -0.03 -5.74 -0.14 0.00 -3.05 0.00 0.00 64.05 55.09 1ot4 n THR 41 Cb 0.44 -1.47 -0.07 0.00 -1.55 0.00 0.00 70.33 67.68 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 3.57 -1.05 -4.16 1.79 0.00 -1.80 -3.44 119.26 114.16 1ot4 h ALA 42 Ca 0.34 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.53 1ot4 h ALA 42 Cb 0.41 0.36 -0.30 0.00 0.00 0.00 0.00 17.79 18.26 1ot4 h ALA 42 CO 1.01 -0.99 -0.82 -1.64 0.00 0.00 0.00 179.25 176.81 1ot4 s MET 43 N -4.72 1.36 -0.98 0.00 -1.94 -1.26 -4.83 119.30 106.92 1ot4 s MET 43 Ca -0.14 -0.55 -0.23 0.00 -1.71 0.00 0.00 55.69 53.05 1ot4 s MET 43 Cb 0.01 -1.28 0.00 0.00 2.01 0.00 0.00 34.83 35.58 1ot4 s MET 43 CO 0.41 0.31 1.70 -1.25 -0.01 0.00 0.00 175.02 176.17 1ot4 s PRO 44 N -0.25 3.10 0.07 2.03 0.04 -1.26 -4.73 135.00 134.01 1ot4 s PRO 44 Ca 0.03 -0.78 -0.26 0.00 0.04 0.00 0.00 61.00 60.03 1ot4 s PRO 44 Cb -0.07 -5.23 -0.12 0.00 0.04 0.00 0.00 34.50 29.12 1ot4 s PRO 44 CO -0.00 -2.80 1.41 0.78 0.04 0.00 0.00 177.00 176.43 1ot4 h GLY 45 N 15.26 -1.17 -6.87 0.56 0.00 -1.94 -3.39 103.07 105.53 1ot4 h GLY 45 Ca 0.16 0.59 -0.59 0.00 0.00 0.00 0.00 47.33 47.49 1ot4 h GLY 45 CO 1.32 -0.33 -0.78 1.06 0.00 0.00 0.00 176.54 177.82 1ot4 s MET 46 N -5.08 0.90 -0.44 4.80 -1.94 -1.26 -4.95 119.30 111.33 1ot4 s MET 46 Ca -0.13 -1.57 -0.28 0.00 -1.71 0.00 0.00 55.69 52.01 1ot4 s MET 46 Cb 0.04 -1.88 0.04 0.00 2.01 0.00 0.00 34.83 35.04 1ot4 s MET 46 CO 0.45 -1.14 0.63 -1.91 -0.01 0.00 0.00 175.02 173.04 1ot4 n GLU 47 N 3.99 -2.16 -3.03 2.03 2.13 -1.26 -4.12 120.64 118.21 1ot4 n GLU 47 Ca 0.07 1.78 -0.02 0.00 0.66 0.00 0.00 57.16 59.65 1ot4 n GLU 47 Cb 0.37 -3.86 0.00 0.00 0.27 0.00 0.00 31.44 28.22 1ot4 n GLU 47 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1ot4 n HIS 48 N -0.24 -1.64 -3.84 4.31 -0.00 -1.26 -4.93 115.22 107.61 1ot4 n HIS 48 Ca 0.02 0.72 -0.28 0.00 -0.00 0.00 0.00 57.72 58.17 1ot4 n HIS 48 Cb 0.57 -2.19 -0.11 0.00 -0.00 0.00 0.00 29.99 28.26 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ot4 n SER 49 N 0.98 3.15 -4.76 0.26 7.64 -1.26 -4.98 113.62 114.66 1ot4 n SER 49 Ca -0.00 -3.25 -0.40 0.00 1.01 0.00 0.00 58.87 56.23 1ot4 n SER 49 Cb 0.33 -0.75 -0.04 0.00 -1.01 0.00 0.00 64.21 62.73 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 -1.61 4.66 -0.20 1.43 0.04 -1.26 -4.63 135.00 133.43 1ot4 s PRO 50 Ca 0.27 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 1ot4 s PRO 50 Cb -0.02 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1ot4 s PRO 50 CO -0.15 0.23 -0.09 -1.64 0.04 0.00 0.00 177.00 175.40 1ot4 s MET 51 N -1.32 3.31 0.54 4.56 -1.94 -1.20 -4.94 119.30 118.31 1ot4 s MET 51 Ca 0.44 -0.67 -0.20 0.00 -1.71 0.00 0.00 55.69 53.55 1ot4 s MET 51 Cb -0.31 -2.86 -0.06 0.00 2.01 0.00 0.00 34.83 33.61 1ot4 s MET 51 CO 0.39 -0.13 1.16 0.00 -0.01 0.00 0.00 175.02 176.44 1ot4 s ALA 52 N 1.25 2.72 0.06 3.03 0.00 -1.26 0.52 121.76 128.08 1ot4 s ALA 52 Ca 0.03 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1ot4 s ALA 52 Cb -0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1ot4 s ALA 52 CO -0.04 -0.85 -0.23 0.54 0.00 0.00 0.00 175.76 175.19 1ot4 s VAL 53 N -1.67 1.87 -0.10 0.00 0.11 0.25 -4.82 120.40 116.04 1ot4 s VAL 53 Ca 0.72 -1.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.10 1ot4 s VAL 53 Cb -0.27 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 1ot4 s VAL 53 CO 0.30 0.19 1.47 -0.54 -3.33 0.00 0.00 175.10 173.19 1ot4 s LYS 54 N -1.43 4.21 0.29 1.54 1.02 -1.26 -4.51 119.74 119.60 1ot4 s LYS 54 Ca 0.09 1.94 -0.01 0.00 0.02 0.00 0.00 55.97 58.02 1ot4 s LYS 54 Cb -0.09 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.32 1ot4 s LYS 54 CO 0.03 -0.78 0.32 0.00 -0.92 0.00 0.00 175.35 174.01 1ot4 s ALA 55 N 3.75 1.06 0.00 5.17 0.00 -1.26 -3.69 121.76 126.79 1ot4 s ALA 55 Ca 0.65 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1ot4 s ALA 55 Cb -0.28 1.30 -0.01 0.00 0.00 0.00 0.00 23.12 24.13 1ot4 s ALA 55 CO 0.23 -0.71 -0.11 0.00 0.00 0.00 0.00 175.76 175.17 1ot4 s ALA 56 N -3.60 0.90 -0.16 0.00 0.00 -0.65 -4.83 121.76 113.42 1ot4 s ALA 56 Ca 0.35 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1ot4 s ALA 56 Cb 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1ot4 s ALA 56 CO 0.19 0.21 -0.20 0.14 0.00 0.00 0.00 175.76 176.10 1ot4 s VAL 57 N -0.37 2.21 0.28 0.00 -7.23 -1.26 -0.26 120.40 113.77 1ot4 s VAL 57 Ca 0.03 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1ot4 s VAL 57 Cb -0.05 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1ot4 s VAL 57 CO -0.00 0.54 0.23 -0.44 -0.31 0.00 0.00 175.10 175.12 1ot4 s SER 58 N 1.01 1.08 0.14 4.85 0.01 -0.51 -5.02 113.70 115.25 1ot4 s SER 58 Ca -0.02 -1.61 0.05 0.00 1.31 0.00 0.00 55.95 55.68 1ot4 s SER 58 Cb -0.15 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 1ot4 s SER 58 CO -0.06 -0.99 0.09 -0.83 0.41 0.00 0.00 173.24 171.86 1ot4 s GLY 59 N -3.29 1.81 0.00 3.44 0.00 -1.26 0.82 107.32 108.84 1ot4 s GLY 59 Ca 0.40 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1ot4 s GLY 59 CO 0.22 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.75 1ot4 n GLY 60 N -0.01 0.49 1.99 0.20 0.00 0.77 -4.78 105.19 103.84 1ot4 n GLY 60 Ca -0.09 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 4.52 4.06 3.65 -0.02 0.00 -1.26 -4.89 105.19 111.24 1ot4 n GLY 61 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.84 -0.02 0.00 1.61 1.01 -1.26 -5.00 116.67 112.18 1ot4 s ASP 62 Ca 0.46 0.01 0.23 0.00 0.71 0.00 0.00 52.55 53.95 1ot4 s ASP 62 Cb 0.38 0.02 1.11 0.00 1.01 0.00 0.00 42.92 45.44 1ot4 s ASP 62 CO 0.08 -0.02 1.73 -0.81 0.21 0.00 0.00 175.17 176.36 1ot4 n PRO 63 N 0.27 0.26 0.01 8.23 -0.04 -1.26 -1.98 135.00 140.49 1ot4 n PRO 63 Ca 0.03 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1ot4 n PRO 63 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.32 0.11 -3.99 0.54 -0.00 -1.26 -4.04 118.16 108.19 1ot4 n LYS 64 Ca 0.10 -0.01 -0.34 0.00 -0.00 0.00 0.00 58.31 58.05 1ot4 n LYS 64 Cb 0.19 -1.53 -0.15 0.00 -0.00 0.00 0.00 35.03 33.55 1ot4 n LYS 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ot4 s THR 65 N -3.08 2.91 0.27 0.58 2.01 -0.84 -0.46 115.64 117.03 1ot4 s THR 65 Ca 0.07 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.48 1ot4 s THR 65 Cb 0.16 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1ot4 s THR 65 CO 0.81 0.46 0.27 -0.04 -0.69 0.00 0.00 174.62 175.44 1ot4 s MET 66 N 1.40 3.03 -0.25 4.92 -1.94 0.12 -0.16 119.30 126.42 1ot4 s MET 66 Ca 0.05 -1.02 -0.07 0.00 -1.71 0.00 0.00 55.69 52.95 1ot4 s MET 66 Cb -0.14 -2.65 0.12 0.00 2.01 0.00 0.00 34.83 34.17 1ot4 s MET 66 CO -0.07 0.33 0.51 0.08 -0.01 0.00 0.00 175.02 175.87 1ot4 s VAL 67 N -2.13 -0.80 -0.13 -6.03 1.01 0.24 -0.89 120.40 111.67 1ot4 s VAL 67 Ca 0.35 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 1ot4 s VAL 67 Cb -0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1ot4 s VAL 67 CO 0.27 0.02 0.31 -0.63 0.00 0.00 0.00 175.10 175.06 1ot4 s ILE 68 N 2.73 5.28 -0.20 2.22 1.09 0.15 -1.43 121.20 131.05 1ot4 s ILE 68 Ca 0.01 0.58 -0.03 0.00 -1.10 0.00 0.00 60.65 60.11 1ot4 s ILE 68 Cb -0.13 -3.63 0.06 0.00 -1.06 0.00 0.00 42.46 37.70 1ot4 s ILE 68 CO -0.16 0.43 0.05 -0.89 -0.10 0.00 0.00 174.94 174.27 1ot4 s THR 69 N 0.16 0.38 0.16 2.92 2.01 0.64 -0.48 115.64 121.42 1ot4 s THR 69 Ca 0.18 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 1ot4 s THR 69 Cb -0.13 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.35 1ot4 s THR 69 CO 0.05 -0.27 1.13 -2.16 -0.69 0.00 0.00 174.62 172.69 1ot4 s PRO 70 N 1.92 4.55 0.40 4.92 0.04 -1.26 -1.63 135.00 143.94 1ot4 s PRO 70 Ca 0.01 1.74 0.19 0.00 0.04 0.00 0.00 61.00 62.98 1ot4 s PRO 70 Cb -0.17 -3.29 0.85 0.00 0.04 0.00 0.00 34.50 31.93 1ot4 s PRO 70 CO -0.10 -0.01 1.83 0.00 0.04 0.00 0.00 177.00 178.76 1ot4 h ALA 71 N 5.44 1.15 -3.11 8.56 0.00 -1.88 -3.43 119.26 125.99 1ot4 h ALA 71 Ca -0.44 -0.30 -0.65 0.00 0.00 0.00 0.00 54.91 53.53 1ot4 h ALA 71 Cb 1.21 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1ot4 h ALA 71 CO 0.74 0.41 -0.58 0.45 0.00 0.00 0.00 179.25 180.27 1ot4 s SER 72 N -6.51 5.68 0.02 0.00 0.15 -1.26 -5.08 113.70 106.70 1ot4 s SER 72 Ca -0.01 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 1ot4 s SER 72 Cb 0.12 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.77 1ot4 s SER 72 CO 0.68 0.25 1.18 -2.16 1.20 0.00 0.00 173.24 174.39 1ot4 s PRO 73 N -1.89 4.42 -0.29 5.44 0.04 -1.26 -4.98 135.00 136.48 1ot4 s PRO 73 Ca 0.25 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1ot4 s PRO 73 Cb -0.12 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1ot4 s PRO 73 CO 0.16 -0.30 1.22 -0.51 0.04 0.00 0.00 177.00 177.61 1ot4 s LEU 74 N 1.42 3.94 0.71 -3.56 1.43 -1.26 -5.01 118.68 116.35 1ot4 s LEU 74 Ca 0.57 1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 1ot4 s LEU 74 Cb -0.27 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.51 1ot4 s LEU 74 CO 0.27 -0.97 0.99 0.42 0.23 0.00 0.00 176.35 177.29 1ot4 s THR 75 N 4.03 2.24 1.04 5.49 -4.23 -1.26 -4.48 115.64 118.47 1ot4 s THR 75 Ca 0.53 -0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 60.34 1ot4 s THR 75 Cb -0.16 -2.76 -0.06 0.00 1.34 0.00 0.00 72.50 70.86 1ot4 s THR 75 CO 0.19 0.00 -0.68 0.00 -0.54 0.00 0.00 174.62 173.60 1ot4 n ALA 76 N -2.87 -4.83 0.00 3.99 0.00 -1.26 -4.78 120.51 110.76 1ot4 n ALA 76 Ca 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1ot4 n ALA 76 Cb 0.60 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 2.75 0.16 2.87 0.00 0.00 0.81 -4.87 105.19 106.91 1ot4 n GLY 77 Ca -0.00 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 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 0.12 0.14 2.61 2.01 -1.26 0.35 115.64 119.61 1ot4 s THR 78 Ca 0.00 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1ot4 s THR 78 Cb 0.00 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1ot4 s THR 78 CO 0.00 0.06 0.01 -0.31 -0.69 0.00 0.00 174.62 173.68 1ot4 s TYR 79 N 0.23 1.02 -0.15 4.92 1.51 -0.61 -1.86 117.35 122.41 1ot4 s TYR 79 Ca -0.02 -1.07 -0.03 0.00 -1.01 0.00 0.00 57.07 54.95 1ot4 s TYR 79 Cb -0.04 -0.59 0.05 0.00 -0.11 0.00 0.00 41.96 41.27 1ot4 s TYR 79 CO -0.01 -0.30 0.03 0.21 -1.11 0.00 0.00 175.55 174.37 1ot4 s LYS 80 N -3.94 0.58 -0.55 -0.62 2.36 0.71 -1.08 119.74 117.20 1ot4 s LYS 80 Ca 0.21 -0.20 -0.21 0.00 -2.55 0.00 0.00 55.97 53.22 1ot4 s LYS 80 Cb 0.07 -1.69 0.06 0.00 -1.05 0.00 0.00 37.83 35.22 1ot4 s LYS 80 CO 0.01 -0.52 0.75 0.08 1.55 0.00 0.00 175.35 177.21 1ot4 s VAL 81 N 1.92 4.69 -0.18 4.02 1.01 0.22 -2.13 120.40 129.95 1ot4 s VAL 81 Ca 0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 1ot4 s VAL 81 Cb -0.15 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 1ot4 s VAL 81 CO -0.07 -1.00 0.70 -1.81 0.00 0.00 0.00 175.10 172.92 1ot4 s ASP 82 N 2.99 6.80 0.27 3.32 1.11 0.03 0.23 116.67 131.43 1ot4 s ASP 82 Ca 0.19 0.98 0.11 0.00 0.18 0.00 0.00 52.55 54.01 1ot4 s ASP 82 Cb -0.18 -2.39 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 1ot4 s ASP 82 CO 0.12 -0.30 -0.14 -1.66 1.18 0.00 0.00 175.17 174.37 1ot4 s TRP 83 N 1.89 2.41 -0.12 4.23 1.48 0.53 0.33 118.94 129.70 1ot4 s TRP 83 Ca 0.33 -0.30 -0.04 0.00 -1.06 0.00 0.00 56.10 55.02 1ot4 s TRP 83 Cb -0.16 -1.05 0.06 0.00 -1.16 0.00 0.00 33.47 31.16 1ot4 s TRP 83 CO 0.12 0.69 0.24 1.03 -4.06 0.00 0.00 176.95 174.96 1ot4 s ARG 84 N -3.54 0.12 0.06 3.25 0.52 0.17 -1.12 118.95 118.42 1ot4 s ARG 84 Ca 0.30 0.71 0.03 0.00 -0.52 0.00 0.00 55.73 56.25 1ot4 s ARG 84 Cb -0.05 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 1ot4 s ARG 84 CO 0.16 -0.29 0.03 0.00 0.02 0.00 0.00 175.30 175.23 1ot4 s ALA 85 N 2.38 3.40 -0.39 2.13 0.00 0.12 -0.72 121.76 128.67 1ot4 s ALA 85 Ca 0.01 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1ot4 s ALA 85 Cb -0.12 -1.34 0.16 0.00 0.00 0.00 0.00 23.12 21.82 1ot4 s ALA 85 CO -0.08 0.70 0.36 0.08 0.00 0.00 0.00 175.76 176.82 1ot4 s VAL 86 N -1.27 -0.07 0.34 0.00 1.01 -1.26 -0.03 120.40 119.13 1ot4 s VAL 86 Ca 0.25 -1.70 0.15 0.00 0.00 0.00 0.00 61.98 60.68 1ot4 s VAL 86 Cb -0.12 -0.90 0.34 0.00 0.00 0.00 0.00 36.38 35.71 1ot4 s VAL 86 CO 0.17 -0.84 1.62 0.28 0.00 0.00 0.00 175.10 176.33 1ot4 h SER 87 N 6.40 0.28 0.00 3.32 0.02 -1.84 -3.39 113.55 118.34 1ot4 h SER 87 Ca 0.12 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1ot4 h SER 87 Cb 0.99 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ot4 h SER 87 CO 0.25 -0.28 0.00 -0.24 -1.14 0.00 0.00 176.83 175.42 1ot4 n SER 88 N -5.20 -1.64 0.00 3.07 2.88 -1.26 -4.48 113.62 106.99 1ot4 n SER 88 Ca 0.32 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1ot4 n SER 88 Cb 1.05 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 66.19 1ot4 n SER 88 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ot4 n ASP 89 N -3.43 0.00 0.05 -3.46 9.92 -1.26 -4.85 116.55 113.53 1ot4 n ASP 89 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1ot4 n ASP 89 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1ot4 h THR 90 N 0.00 0.25 -3.53 -3.53 2.02 -1.97 -3.34 112.91 102.80 1ot4 h THR 90 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.53 1ot4 h THR 90 Cb 0.00 0.25 -0.40 0.00 -1.74 0.00 0.00 68.15 66.25 1ot4 h THR 90 CO 0.00 0.00 -0.70 -1.00 0.37 0.00 0.00 175.52 174.19 1ot4 s HIS 91 N -5.97 3.39 0.74 3.16 3.76 -1.26 -5.11 115.29 114.01 1ot4 s HIS 91 Ca -0.16 -2.95 -0.11 0.00 -0.15 0.00 0.00 55.06 51.69 1ot4 s HIS 91 Cb 0.09 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 31.04 1ot4 s HIS 91 CO 0.65 -0.88 1.08 -1.25 -0.85 0.00 0.00 174.74 173.49 1ot4 s PRO 92 N 0.57 2.54 -0.05 8.40 0.04 -1.26 -4.50 135.00 140.75 1ot4 s PRO 92 Ca 0.13 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.99 1ot4 s PRO 92 Cb -0.21 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1ot4 s PRO 92 CO -0.06 -1.34 -0.04 0.42 0.04 0.00 0.00 177.00 176.01 1ot4 s ILE 93 N -3.10 0.53 -0.03 0.56 -1.09 0.96 -5.01 121.20 114.04 1ot4 s ILE 93 Ca 0.59 -0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.95 1ot4 s ILE 93 Cb -0.14 -0.57 -0.01 0.00 -1.58 0.00 0.00 42.46 40.16 1ot4 s ILE 93 CO 0.55 0.23 -0.18 0.42 -1.23 0.00 0.00 174.94 174.72 1ot4 s THR 94 N 0.98 1.48 0.10 2.92 -4.23 -1.26 0.11 115.64 115.74 1ot4 s THR 94 Ca -0.10 -0.78 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1ot4 s THR 94 Cb -0.14 -1.24 0.08 0.00 1.34 0.00 0.00 72.50 72.53 1ot4 s THR 94 CO -0.00 0.42 0.82 -0.83 -0.54 0.00 0.00 174.62 174.49 1ot4 s GLY 95 N -0.26 -0.42 0.15 3.99 0.00 -0.27 -4.83 107.32 105.68 1ot4 s GLY 95 Ca 0.03 0.56 -0.03 0.00 0.00 0.00 0.00 44.72 45.29 1ot4 s GLY 95 CO 0.00 0.18 0.12 -0.56 0.00 0.00 0.00 173.10 172.84 1ot4 s SER 96 N -2.69 0.23 -0.17 1.64 0.01 -1.26 0.20 113.70 111.66 1ot4 s SER 96 Ca 0.06 -1.16 -0.03 0.00 1.31 0.00 0.00 55.95 56.12 1ot4 s SER 96 Cb -0.02 0.34 0.06 0.00 0.21 0.00 0.00 66.02 66.61 1ot4 s SER 96 CO -0.06 -0.78 0.05 -0.69 0.41 0.00 0.00 173.24 172.17 1ot4 s VAL 97 N -4.05 0.26 -0.00 3.43 1.01 0.14 -4.93 120.40 116.26 1ot4 s VAL 97 Ca 0.25 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1ot4 s VAL 97 Cb 0.06 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 1ot4 s VAL 97 CO 0.03 -0.18 0.41 0.28 0.00 0.00 0.00 175.10 175.64 1ot4 s THR 98 N 1.98 5.04 0.03 3.92 -1.32 -1.26 -0.61 115.64 123.42 1ot4 s THR 98 Ca 0.01 0.83 -0.05 0.00 -1.21 0.00 0.00 61.69 61.27 1ot4 s THR 98 Cb -0.16 -3.71 -0.01 0.00 -1.51 0.00 0.00 72.50 67.11 1ot4 s THR 98 CO -0.08 0.57 0.08 0.72 -2.21 0.00 0.00 174.62 173.71 1ot4 s PHE 99 N -1.04 0.20 0.22 9.09 -0.12 -0.24 0.52 117.98 126.61 1ot4 s PHE 99 Ca 0.24 -0.49 0.08 0.00 -0.05 0.00 0.00 56.93 56.70 1ot4 s PHE 99 Cb -0.17 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 1ot4 s PHE 99 CO 0.13 -0.34 0.04 0.15 -0.05 0.00 0.00 175.22 175.16 1ot4 s LYS 100 N -2.39 2.49 -0.08 1.99 1.02 0.17 -1.57 119.74 121.37 1ot4 s LYS 100 Ca -0.07 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.71 1ot4 s LYS 100 Cb -0.03 -2.34 0.04 0.00 -0.52 0.00 0.00 37.83 34.98 1ot4 s LYS 100 CO -0.04 0.41 0.05 0.08 -0.92 0.00 0.00 175.35 174.94 1ot4 s VAL 101 N -2.01 0.08 -2.25 3.17 1.01 0.16 -2.92 120.40 117.63 1ot4 s VAL 101 Ca 0.30 0.16 0.18 0.00 0.00 0.00 0.00 61.98 62.62 1ot4 s VAL 101 Cb -0.08 -0.40 0.14 0.00 0.00 0.00 0.00 36.38 36.04 1ot4 s VAL 101 CO 0.20 0.09 1.07 0.29 0.00 0.00 0.00 175.10 176.75