#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 -0.18 -4.55 -1.40 0.13 -2.05 -3.47 132.00 120.49 1ot4 h PRO 2 Ca 0.00 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.89 1ot4 h PRO 2 Cb 0.00 0.04 -0.20 0.00 0.13 0.00 0.00 31.00 30.97 1ot4 h PRO 2 CO 0.00 0.24 -0.72 0.15 -0.23 0.00 0.00 178.00 177.43 1ot4 s LYS 3 N -2.93 0.58 1.16 0.86 3.01 -1.26 -5.00 119.74 116.16 1ot4 s LYS 3 Ca -0.11 -0.87 -0.17 0.00 -1.01 0.00 0.00 55.97 53.81 1ot4 s LYS 3 Cb -0.00 -0.24 0.21 0.00 -1.01 0.00 0.00 37.83 36.79 1ot4 s LYS 3 CO 0.40 0.03 0.41 1.47 0.51 0.00 0.00 175.35 178.17 1ot4 n LEU 4 N 1.15 -1.51 0.00 3.17 -0.00 -1.26 -4.92 117.00 113.64 1ot4 n LEU 4 Ca -0.21 -0.39 0.00 0.00 -0.00 0.00 0.00 56.01 55.41 1ot4 n LEU 4 Cb 0.56 -0.92 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1ot4 n LEU 4 CO 0.23 -3.50 0.34 0.52 -0.00 0.00 0.00 177.39 174.98 1ot4 n VAL 5 N -4.79 0.00 -3.67 1.47 0.31 -1.26 -4.89 118.33 105.50 1ot4 n VAL 5 Ca 0.05 1.19 -0.15 0.00 -0.01 0.00 0.00 64.34 65.43 1ot4 n VAL 5 Cb 0.51 -1.98 -0.07 0.00 -0.91 0.00 0.00 33.84 31.38 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 -2.41 -0.35 0.22 4.52 0.01 -1.22 -5.07 113.70 109.42 1ot4 s SER 6 Ca 0.00 0.25 -0.18 0.00 1.31 0.00 0.00 55.95 57.32 1ot4 s SER 6 Cb 0.00 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.66 1ot4 s SER 6 CO 0.00 -0.54 0.58 -0.94 0.41 0.00 0.00 173.24 172.75 1ot4 s SER 7 N -1.43 -0.27 -0.39 2.44 1.04 -1.26 0.55 113.70 114.38 1ot4 s SER 7 Ca -0.11 -0.53 0.12 0.00 0.48 0.00 0.00 55.95 55.90 1ot4 s SER 7 Cb -0.03 0.63 0.37 0.00 0.10 0.00 0.00 66.02 67.08 1ot4 s SER 7 CO 0.05 -1.15 0.80 0.41 0.98 0.00 0.00 173.24 174.33 1ot4 n THR 8 N -0.39 0.45 0.00 2.02 -1.04 0.17 -4.91 114.28 110.58 1ot4 n THR 8 Ca -0.08 -4.50 0.00 0.00 -2.04 0.00 0.00 64.05 57.43 1ot4 n THR 8 Cb 0.62 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1ot4 n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ot4 n PRO 9 N 0.15 0.00 -1.96 -2.82 -0.04 -1.15 -1.49 135.00 127.70 1ot4 n PRO 9 Ca 0.24 0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 1ot4 n PRO 9 Cb 0.65 -0.91 -0.01 0.00 -0.04 0.00 0.00 33.50 33.19 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 -1.36 -2.22 -1.34 0.55 0.00 -1.26 -4.61 120.51 110.27 1ot4 n ALA 10 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 53.44 52.77 1ot4 n ALA 10 Cb 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.22 0.13 -3.02 0.00 1.02 -1.26 0.23 120.64 117.52 1ot4 n GLU 11 Ca -0.12 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.89 1ot4 n GLU 11 Cb 0.55 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 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 7.10 -0.40 3.55 0.62 0.00 0.17 -4.74 105.19 111.50 1ot4 n GLY 12 Ca 0.56 0.03 -0.39 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 -2.24 5.39 -0.27 1.61 0.01 0.14 -4.74 113.70 113.60 1ot4 s SER 13 Ca 0.30 0.27 -0.08 0.00 1.31 0.00 0.00 55.95 57.76 1ot4 s SER 13 Cb -0.18 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 1ot4 s SER 13 CO 0.37 -2.29 0.10 -1.61 0.41 0.00 0.00 173.24 170.21 1ot4 s GLU 14 N 6.84 3.57 0.00 12.44 2.02 -1.26 -0.68 118.70 141.64 1ot4 s GLU 14 Ca 0.64 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1ot4 s GLU 14 Cb -0.12 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1ot4 s GLU 14 CO 0.20 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1ot4 n GLY 15 N 4.94 0.84 3.78 -1.39 0.00 -1.24 -4.97 105.19 107.15 1ot4 n GLY 15 Ca -0.15 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.99 0.09 4.61 0.00 -1.25 -0.80 121.76 122.42 1ot4 s ALA 16 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 1ot4 s ALA 16 Cb 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 23.12 23.68 1ot4 s ALA 16 CO 0.00 -1.07 0.91 0.00 0.00 0.00 0.00 175.76 175.60 1ot4 s ALA 17 N -2.50 3.27 0.78 0.00 0.00 -1.26 -4.59 121.76 117.46 1ot4 s ALA 17 Ca 0.18 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 1ot4 s ALA 17 Cb 0.01 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1ot4 s ALA 17 CO 0.00 -0.01 1.09 -1.25 0.00 0.00 0.00 175.76 175.59 1ot4 s PRO 18 N 0.02 2.26 -0.02 0.00 0.04 -1.26 -4.99 135.00 131.05 1ot4 s PRO 18 Ca 0.45 0.69 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 1ot4 s PRO 18 Cb -0.23 -1.93 -0.19 0.00 0.04 0.00 0.00 34.50 32.19 1ot4 s PRO 18 CO 0.28 -1.51 1.21 0.00 0.04 0.00 0.00 177.00 177.02 1ot4 h ALA 19 N -1.01 -0.11 -2.25 8.56 0.00 -1.96 -3.47 119.26 119.01 1ot4 h ALA 19 Ca -0.46 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 1ot4 h ALA 19 Cb 1.26 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.89 1ot4 h ALA 19 CO 0.59 -0.33 -0.03 -1.59 0.00 0.00 0.00 179.25 177.89 1ot4 s LYS 20 N -4.26 0.85 0.19 0.00 -2.85 -1.26 -4.75 119.74 107.67 1ot4 s LYS 20 Ca -0.15 0.12 -0.23 0.00 -1.00 0.00 0.00 55.97 54.71 1ot4 s LYS 20 Cb 0.02 0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 1ot4 s LYS 20 CO 0.62 -0.24 0.75 0.42 0.10 0.00 0.00 175.35 177.00 1ot4 s ILE 21 N -1.10 4.47 0.10 3.79 1.09 0.28 -4.88 121.20 124.94 1ot4 s ILE 21 Ca -0.11 1.50 0.08 0.00 -1.10 0.00 0.00 60.65 61.02 1ot4 s ILE 21 Cb -0.03 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 1ot4 s ILE 21 CO 0.07 0.37 -0.14 -0.70 -0.10 0.00 0.00 174.94 174.43 1ot4 s GLU 22 N -1.56 1.99 -0.06 2.79 -6.30 -0.55 0.08 118.70 115.09 1ot4 s GLU 22 Ca 0.39 -1.08 -0.12 0.00 -2.50 0.00 0.00 54.97 51.67 1ot4 s GLU 22 Cb -0.20 -2.22 0.02 0.00 0.00 0.00 0.00 34.13 31.74 1ot4 s GLU 22 CO 0.23 0.50 0.28 -0.51 0.02 0.00 0.00 175.26 175.79 1ot4 s LEU 23 N -2.07 0.95 0.03 2.70 1.43 0.32 0.41 118.68 122.46 1ot4 s LEU 23 Ca 0.19 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1ot4 s LEU 23 Cb -0.11 1.07 -0.02 0.00 0.03 0.00 0.00 46.19 47.16 1ot4 s LEU 23 CO 0.11 -0.28 -0.05 -1.00 0.23 0.00 0.00 176.35 175.37 1ot4 s HIS 24 N -0.64 0.41 -0.23 0.29 3.76 0.19 -1.49 115.29 117.58 1ot4 s HIS 24 Ca -0.07 -0.54 -0.09 0.00 -0.15 0.00 0.00 55.06 54.21 1ot4 s HIS 24 Cb -0.04 -0.27 0.09 0.00 1.11 0.00 0.00 32.58 33.47 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 -1.52 -0.93 -1.97 1.40 0.40 -1.09 -3.38 117.98 110.90 1ot4 s PHE 25 Ca -0.13 1.76 0.20 0.00 -0.60 0.00 0.00 56.93 58.16 1ot4 s PHE 25 Cb -0.09 0.46 0.45 0.00 0.51 0.00 0.00 43.02 44.35 1ot4 s PHE 25 CO -0.01 -0.51 1.38 0.45 0.70 0.00 0.00 175.22 177.24 1ot4 n SER 26 N 5.07 3.44 -1.52 1.36 2.88 -1.26 -4.23 113.62 119.36 1ot4 n SER 26 Ca -0.13 -1.96 -0.09 0.00 -1.33 0.00 0.00 58.87 55.36 1ot4 n SER 26 Cb 0.52 -0.31 0.21 0.00 -0.75 0.00 0.00 64.21 63.88 1ot4 n SER 26 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ot4 n GLU 27 N 1.32 2.27 -2.67 -1.46 0.28 -1.26 -4.99 120.64 114.13 1ot4 n GLU 27 Ca 0.19 -3.09 -0.04 0.00 -0.16 0.00 0.00 57.16 54.06 1ot4 n GLU 27 Cb 0.56 -1.96 -0.03 0.00 1.43 0.00 0.00 31.44 31.44 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ot4 n ASN 28 N -0.96 -3.33 -4.48 -1.84 4.05 -1.26 -4.84 115.26 102.60 1ot4 n ASN 28 Ca 0.40 1.35 -0.43 0.00 0.45 0.00 0.00 54.58 56.35 1ot4 n ASN 28 Cb 1.24 -5.10 -0.02 0.00 1.23 0.00 0.00 39.78 37.12 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 -0.99 4.71 0.56 1.20 1.98 -1.26 -4.95 118.68 119.93 1ot4 s LEU 29 Ca -0.18 -1.99 -0.17 0.00 -2.89 0.00 0.00 54.13 48.90 1ot4 s LEU 29 Cb 0.01 -2.44 -0.05 0.00 0.66 0.00 0.00 46.19 44.37 1ot4 s LEU 29 CO 0.75 -1.14 1.06 -0.69 -1.89 0.00 0.00 176.35 174.44 1ot4 s VAL 30 N 3.12 3.75 -0.88 1.68 1.01 -1.26 -4.46 120.40 123.36 1ot4 s VAL 30 Ca 0.36 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 1ot4 s VAL 30 Cb -0.03 -3.39 0.26 0.00 0.00 0.00 0.00 36.38 33.22 1ot4 s VAL 30 CO -0.09 -0.40 2.15 1.07 0.00 0.00 0.00 175.10 177.83 1ot4 n THR 31 N -1.68 4.45 -0.12 3.92 5.66 -1.26 -4.15 114.28 121.10 1ot4 n THR 31 Ca 0.09 -4.54 -0.20 0.00 -3.05 0.00 0.00 64.05 56.35 1ot4 n THR 31 Cb 0.53 -1.49 -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 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 n GLN 32 N 0.11 0.55 -0.18 1.09 1.13 -1.26 -4.74 117.38 114.08 1ot4 n GLN 32 Ca 0.52 0.17 0.01 0.00 -1.94 0.00 0.00 57.00 55.76 1ot4 n GLN 32 Cb 0.30 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 29.23 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1ot4 n PHE 33 N -3.56 0.00 -2.94 1.08 3.72 -1.26 -5.06 117.46 109.44 1ot4 n PHE 33 Ca -0.44 -0.12 -0.28 0.00 -0.05 0.00 0.00 57.45 56.57 1ot4 n PHE 33 Cb 0.90 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 39.39 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 -0.65 6.36 0.00 4.37 0.15 -1.26 -4.09 113.70 118.58 1ot4 s SER 34 Ca 0.02 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1ot4 s SER 34 Cb 0.02 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1ot4 s SER 34 CO 0.00 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1ot4 n GLY 35 N -1.73 -1.46 3.36 9.45 0.00 -0.24 -4.91 105.19 109.66 1ot4 n GLY 35 Ca -0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.21 -1.19 -0.26 4.61 0.00 -1.26 0.05 121.76 122.50 1ot4 s ALA 36 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 1ot4 s ALA 36 Cb 0.00 0.01 0.15 0.00 0.00 0.00 0.00 23.12 23.27 1ot4 s ALA 36 CO 0.00 -0.30 0.46 0.15 0.00 0.00 0.00 175.76 176.07 1ot4 s LYS 37 N -1.20 0.42 0.00 0.00 1.02 0.16 -4.91 119.74 115.23 1ot4 s LYS 37 Ca -0.12 0.77 -0.16 0.00 0.02 0.00 0.00 55.97 56.48 1ot4 s LYS 37 Cb -0.03 -0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.20 1ot4 s LYS 37 CO 0.06 -0.57 0.45 -1.17 -0.92 0.00 0.00 175.35 173.19 1ot4 s LEU 38 N 2.66 4.46 0.00 3.17 2.96 -1.26 -0.93 118.68 129.75 1ot4 s LEU 38 Ca 0.13 1.00 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 1ot4 s LEU 38 Cb -0.15 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1ot4 s LEU 38 CO -0.17 0.28 -0.07 0.68 -1.32 0.00 0.00 176.35 175.74 1ot4 s VAL 39 N -0.90 0.58 -0.72 1.68 -7.23 -0.79 -0.31 120.40 112.72 1ot4 s VAL 39 Ca 0.25 -0.42 -0.19 0.00 -1.81 0.00 0.00 61.98 59.81 1ot4 s VAL 39 Cb -0.17 -0.51 0.11 0.00 0.56 0.00 0.00 36.38 36.37 1ot4 s VAL 39 CO 0.14 0.09 0.88 -0.32 -0.31 0.00 0.00 175.10 175.58 1ot4 s MET 40 N -0.37 3.26 -0.76 4.82 1.75 0.20 -1.29 119.30 126.91 1ot4 s MET 40 Ca 0.01 -1.43 0.03 0.00 -1.25 0.00 0.00 55.69 53.05 1ot4 s MET 40 Cb -0.04 -4.44 0.33 0.00 2.84 0.00 0.00 34.83 33.52 1ot4 s MET 40 CO -0.00 -1.65 1.28 -2.37 -0.65 0.00 0.00 175.02 171.64 1ot4 n THR 41 N 5.48 4.25 -0.35 10.11 5.66 -0.72 -3.34 114.28 135.36 1ot4 n THR 41 Ca 0.03 -5.74 -0.04 0.00 -3.05 0.00 0.00 64.05 55.25 1ot4 n THR 41 Cb 0.45 -1.49 -0.01 0.00 -1.55 0.00 0.00 70.33 67.73 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 -0.12 -0.29 0.00 1.79 0.00 0.57 -4.55 120.51 117.91 1ot4 n ALA 42 Ca 0.37 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.63 1ot4 n ALA 42 Cb 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -5.21 0.00 -2.54 0.00 2.81 -1.26 -4.34 117.12 106.57 1ot4 n MET 43 Ca 0.06 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.60 1ot4 n MET 43 Cb 0.30 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.78 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 0.00 3.94 0.00 0.03 0.04 -1.22 -4.40 135.00 133.38 1ot4 s PRO 44 Ca 0.00 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1ot4 s PRO 44 Cb 0.00 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1ot4 s PRO 44 CO 0.00 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1ot4 n GLY 45 N -0.02 2.83 3.20 0.56 0.00 -1.26 -5.00 105.19 105.49 1ot4 n GLY 45 Ca 0.08 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1ot4 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ot4 s MET 46 N 0.00 3.17 -0.52 1.61 -1.94 -1.26 -4.82 119.30 115.54 1ot4 s MET 46 Ca 0.00 -2.68 -0.31 0.00 -1.71 0.00 0.00 55.69 50.99 1ot4 s MET 46 Cb 0.00 -4.08 0.05 0.00 2.01 0.00 0.00 34.83 32.81 1ot4 s MET 46 CO 0.00 -1.23 0.64 -1.91 -0.01 0.00 0.00 175.02 172.51 1ot4 n GLU 47 N 3.42 -1.82 -2.73 2.03 0.00 -1.26 -4.95 120.64 115.33 1ot4 n GLU 47 Ca 0.13 1.26 -0.03 0.00 0.00 0.00 0.00 57.16 58.52 1ot4 n GLU 47 Cb 0.41 -1.99 0.02 0.00 0.00 0.00 0.00 31.44 29.88 1ot4 n GLU 47 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1ot4 s HIS 48 N -1.73 -0.71 0.40 4.31 3.76 -1.26 -5.08 115.29 114.98 1ot4 s HIS 48 Ca 0.31 -0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 54.92 1ot4 s HIS 48 Cb -0.03 0.14 -0.06 0.00 1.11 0.00 0.00 32.58 33.73 1ot4 s HIS 48 CO 0.87 -0.55 0.76 -1.54 -0.85 0.00 0.00 174.74 173.43 1ot4 s SER 49 N 1.10 6.52 -0.14 1.40 1.04 -1.26 -3.46 113.70 118.90 1ot4 s SER 49 Ca 0.24 1.12 -0.29 0.00 0.48 0.00 0.00 55.95 57.49 1ot4 s SER 49 Cb 0.08 -2.32 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1ot4 s SER 49 CO -0.10 -0.39 1.27 -2.16 0.98 0.00 0.00 173.24 172.84 1ot4 s PRO 50 N -3.82 4.25 0.18 4.02 0.04 -1.26 -4.82 135.00 133.59 1ot4 s PRO 50 Ca 0.51 1.68 0.09 0.00 0.04 0.00 0.00 61.00 63.32 1ot4 s PRO 50 Cb -0.10 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 1ot4 s PRO 50 CO 0.31 -0.67 -0.19 -1.64 0.04 0.00 0.00 177.00 174.85 1ot4 s MET 51 N 3.31 1.35 0.34 4.56 -1.94 -1.21 -4.97 119.30 120.73 1ot4 s MET 51 Ca 0.55 -1.47 -0.11 0.00 -1.71 0.00 0.00 55.69 52.95 1ot4 s MET 51 Cb -0.23 -1.41 -0.07 0.00 2.01 0.00 0.00 34.83 35.13 1ot4 s MET 51 CO 0.16 0.28 0.70 0.00 -0.01 0.00 0.00 175.02 176.15 1ot4 s ALA 52 N -2.13 3.41 0.30 3.03 0.00 -1.26 0.63 121.76 125.73 1ot4 s ALA 52 Ca 0.18 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.05 1ot4 s ALA 52 Cb -0.05 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1ot4 s ALA 52 CO 0.08 0.21 0.09 0.54 0.00 0.00 0.00 175.76 176.67 1ot4 s VAL 53 N -2.13 3.33 -0.56 0.00 0.11 0.58 -4.79 120.40 116.94 1ot4 s VAL 53 Ca 0.51 -1.76 -0.23 0.00 -2.93 0.00 0.00 61.98 57.56 1ot4 s VAL 53 Cb -0.10 -2.96 0.05 0.00 -1.53 0.00 0.00 36.38 31.83 1ot4 s VAL 53 CO 0.25 -0.28 0.91 -0.54 -3.33 0.00 0.00 175.10 172.12 1ot4 s LYS 54 N -3.77 3.29 0.20 1.54 1.02 -1.26 -4.68 119.74 116.07 1ot4 s LYS 54 Ca 0.35 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.94 1ot4 s LYS 54 Cb -0.05 -4.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 1ot4 s LYS 54 CO 0.22 -1.50 0.11 0.00 -0.92 0.00 0.00 175.35 173.26 1ot4 s ALA 55 N 3.83 1.19 -0.01 5.17 0.00 -1.26 -3.47 121.76 127.22 1ot4 s ALA 55 Ca 0.28 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.57 1ot4 s ALA 55 Cb -0.14 1.26 -0.00 0.00 0.00 0.00 0.00 23.12 24.24 1ot4 s ALA 55 CO 0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 175.76 175.32 1ot4 s ALA 56 N -4.09 0.55 -0.24 0.00 0.00 -1.20 -4.92 121.76 111.86 1ot4 s ALA 56 Ca 0.36 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 1ot4 s ALA 56 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1ot4 s ALA 56 CO 0.11 0.11 0.13 0.54 0.00 0.00 0.00 175.76 176.65 1ot4 s VAL 57 N 0.01 4.98 0.44 0.00 0.11 -1.26 -1.34 120.40 123.34 1ot4 s VAL 57 Ca 0.00 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 1ot4 s VAL 57 Cb -0.04 -3.33 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 1ot4 s VAL 57 CO -0.00 0.33 0.04 -0.44 -3.33 0.00 0.00 175.10 171.70 1ot4 s SER 58 N 1.29 3.58 0.07 3.54 0.01 0.11 -4.99 113.70 117.31 1ot4 s SER 58 Ca 0.06 -1.56 0.04 0.00 1.31 0.00 0.00 55.95 55.80 1ot4 s SER 58 Cb -0.14 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 1ot4 s SER 58 CO 0.06 -0.75 -0.11 -0.83 0.41 0.00 0.00 173.24 172.02 1ot4 s GLY 59 N -3.73 0.73 -1.57 3.44 0.00 -1.26 0.09 107.32 105.02 1ot4 s GLY 59 Ca 0.20 -0.97 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 1ot4 s GLY 59 CO 0.10 -1.02 2.76 0.61 0.00 0.00 0.00 173.10 175.56 1ot4 n GLY 60 N 1.16 4.37 5.00 0.20 0.00 -0.98 -4.71 105.19 110.24 1ot4 n GLY 60 Ca -0.20 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 3.50 1.09 3.81 -0.02 0.00 -1.26 -4.82 105.19 107.49 1ot4 n GLY 61 Ca 0.72 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.38 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 7.05 0.00 1.61 1.11 -1.26 -4.93 116.67 120.25 1ot4 s ASP 62 Ca 0.00 1.59 0.24 0.00 0.18 0.00 0.00 52.55 54.56 1ot4 s ASP 62 Cb 0.00 -2.49 1.41 0.00 1.07 0.00 0.00 42.92 42.91 1ot4 s ASP 62 CO 0.00 -0.16 1.79 -0.81 1.18 0.00 0.00 175.17 177.17 1ot4 n PRO 63 N 0.07 0.72 -0.01 8.23 -0.04 -1.26 -2.53 135.00 140.17 1ot4 n PRO 63 Ca 0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 1ot4 n PRO 63 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.02 0.70 -3.31 0.54 2.85 -1.26 -4.03 118.16 112.63 1ot4 n LYS 64 Ca 0.18 0.26 -0.38 0.00 -1.05 0.00 0.00 58.31 57.32 1ot4 n LYS 64 Cb 0.09 -1.73 -0.06 0.00 -0.65 0.00 0.00 35.03 32.68 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 -2.57 5.02 0.09 0.58 2.01 -1.05 -2.66 115.64 117.06 1ot4 s THR 65 Ca -0.15 1.05 0.06 0.00 0.31 0.00 0.00 61.69 62.96 1ot4 s THR 65 Cb 0.07 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1ot4 s THR 65 CO 0.79 0.43 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.96 1ot4 s MET 66 N -0.15 0.90 -0.18 4.92 -1.94 -0.56 -2.31 119.30 119.98 1ot4 s MET 66 Ca 0.28 -1.04 -0.08 0.00 -1.71 0.00 0.00 55.69 53.13 1ot4 s MET 66 Cb -0.17 -0.90 0.08 0.00 2.01 0.00 0.00 34.83 35.85 1ot4 s MET 66 CO 0.14 0.20 0.41 0.14 -0.01 0.00 0.00 175.02 175.90 1ot4 s VAL 67 N -1.47 -0.36 -0.26 -6.03 -7.23 0.11 -0.52 120.40 104.64 1ot4 s VAL 67 Ca 0.01 0.14 -0.16 0.00 -1.81 0.00 0.00 61.98 60.16 1ot4 s VAL 67 Cb -0.09 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 1ot4 s VAL 67 CO 0.03 0.06 0.44 -0.63 -0.31 0.00 0.00 175.10 174.68 1ot4 s ILE 68 N 2.07 5.13 -0.39 -0.62 1.09 0.11 -0.71 121.20 127.87 1ot4 s ILE 68 Ca -0.05 0.72 0.02 0.00 -1.10 0.00 0.00 60.65 60.24 1ot4 s ILE 68 Cb -0.10 -3.76 0.11 0.00 -1.06 0.00 0.00 42.46 37.65 1ot4 s ILE 68 CO -0.13 0.13 0.15 -0.89 -0.10 0.00 0.00 174.94 174.10 1ot4 s THR 69 N 2.13 1.72 0.18 2.92 2.01 -0.45 -0.56 115.64 123.60 1ot4 s THR 69 Ca 0.18 -2.32 -0.30 0.00 0.31 0.00 0.00 61.69 59.56 1ot4 s THR 69 Cb -0.16 -2.25 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 1ot4 s THR 69 CO 0.09 -0.73 1.12 -2.16 -0.69 0.00 0.00 174.62 172.25 1ot4 s PRO 70 N 0.74 4.58 0.28 4.92 0.04 -1.26 -3.22 135.00 141.06 1ot4 s PRO 70 Ca 0.13 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.03 1ot4 s PRO 70 Cb -0.21 -3.27 0.38 0.00 0.04 0.00 0.00 34.50 31.44 1ot4 s PRO 70 CO -0.09 0.05 1.63 0.00 0.04 0.00 0.00 177.00 178.63 1ot4 h ALA 71 N 5.09 1.01 -2.74 8.56 0.00 -1.91 -3.43 119.26 125.84 1ot4 h ALA 71 Ca -0.44 -0.55 -0.61 0.00 0.00 0.00 0.00 54.91 53.31 1ot4 h ALA 71 Cb 1.21 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1ot4 h ALA 71 CO 0.73 0.75 -0.25 0.45 0.00 0.00 0.00 179.25 180.93 1ot4 s SER 72 N -6.85 6.71 0.05 0.00 0.15 -1.24 -5.05 113.70 107.46 1ot4 s SER 72 Ca -0.01 0.84 -0.30 0.00 0.70 0.00 0.00 55.95 57.17 1ot4 s SER 72 Cb 0.13 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 1ot4 s SER 72 CO 0.76 0.29 1.17 -2.16 1.20 0.00 0.00 173.24 174.50 1ot4 s PRO 73 N -0.78 4.45 -0.27 5.44 0.04 -1.26 -4.98 135.00 137.64 1ot4 s PRO 73 Ca 0.22 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 1ot4 s PRO 73 Cb -0.16 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.02 1ot4 s PRO 73 CO 0.11 -0.23 1.27 -0.51 0.04 0.00 0.00 177.00 177.67 1ot4 s LEU 74 N 1.09 3.95 0.65 -3.56 1.43 -1.26 -5.01 118.68 115.97 1ot4 s LEU 74 Ca 0.58 1.30 -0.06 0.00 -1.03 0.00 0.00 54.13 54.91 1ot4 s LEU 74 Cb -0.28 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.44 1ot4 s LEU 74 CO 0.29 -0.99 0.96 0.42 0.23 0.00 0.00 176.35 177.25 1ot4 s THR 75 N 4.11 2.80 1.03 5.49 -4.23 -1.26 -4.53 115.64 119.04 1ot4 s THR 75 Ca 0.55 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.67 1ot4 s THR 75 Cb -0.17 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 1ot4 s THR 75 CO 0.20 -0.17 -0.31 0.00 -0.54 0.00 0.00 174.62 173.80 1ot4 n ALA 76 N -2.76 -4.26 0.00 3.99 0.00 -1.26 -4.77 120.51 111.45 1ot4 n ALA 76 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1ot4 n ALA 76 Cb 0.59 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 2.41 0.28 2.85 0.00 0.00 0.65 -4.88 105.19 106.51 1ot4 n GLY 77 Ca 0.01 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.43 0.25 0.28 2.61 2.01 -1.26 -0.82 115.64 118.27 1ot4 s THR 78 Ca 0.00 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1ot4 s THR 78 Cb 0.00 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 1ot4 s THR 78 CO 0.00 0.15 0.11 -0.31 -0.69 0.00 0.00 174.62 173.88 1ot4 s TYR 79 N 0.81 1.57 -0.13 4.92 1.51 -0.58 -0.32 117.35 125.14 1ot4 s TYR 79 Ca -0.09 -1.23 -0.05 0.00 -1.01 0.00 0.00 57.07 54.69 1ot4 s TYR 79 Cb -0.12 -0.90 0.06 0.00 -0.11 0.00 0.00 41.96 40.89 1ot4 s TYR 79 CO -0.01 -0.38 0.26 0.21 -1.11 0.00 0.00 175.55 174.52 1ot4 s LYS 80 N -3.97 0.14 -0.28 -0.62 2.36 -0.41 -1.36 119.74 115.60 1ot4 s LYS 80 Ca 0.37 0.73 -0.15 0.00 -2.55 0.00 0.00 55.97 54.37 1ot4 s LYS 80 Cb 0.07 -0.05 -0.03 0.00 -1.05 0.00 0.00 37.83 36.77 1ot4 s LYS 80 CO 0.15 -0.28 0.37 0.08 1.55 0.00 0.00 175.35 177.22 1ot4 s VAL 81 N 2.36 5.17 -0.30 4.02 1.01 -0.04 -1.88 120.40 130.73 1ot4 s VAL 81 Ca 0.01 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1ot4 s VAL 81 Cb -0.12 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ot4 s VAL 81 CO -0.08 0.10 0.18 -1.81 0.00 0.00 0.00 175.10 173.49 1ot4 s ASP 82 N 1.66 5.83 0.21 3.32 1.01 -0.10 0.32 116.67 128.92 1ot4 s ASP 82 Ca 0.14 -0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.21 1ot4 s ASP 82 Cb -0.16 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1ot4 s ASP 82 CO 0.10 -0.14 0.02 -1.66 0.21 0.00 0.00 175.17 173.71 1ot4 s TRP 83 N 1.70 2.83 0.03 4.23 1.48 0.29 0.39 118.94 129.88 1ot4 s TRP 83 Ca 0.06 -0.16 0.02 0.00 -1.06 0.00 0.00 56.10 54.96 1ot4 s TRP 83 Cb -0.17 -1.32 -0.02 0.00 -1.16 0.00 0.00 33.47 30.81 1ot4 s TRP 83 CO 0.09 0.55 -0.07 1.03 -4.06 0.00 0.00 176.95 174.49 1ot4 s ARG 84 N -3.29 0.48 0.05 3.25 3.00 0.11 0.31 118.95 122.86 1ot4 s ARG 84 Ca 0.29 -0.57 0.01 0.00 0.00 0.00 0.00 55.73 55.46 1ot4 s ARG 84 Cb -0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 34.95 34.54 1ot4 s ARG 84 CO 0.20 0.06 -0.06 0.00 0.00 0.00 0.00 175.30 175.50 1ot4 s ALA 85 N -1.00 0.58 0.24 2.13 0.00 0.17 -1.07 121.76 122.81 1ot4 s ALA 85 Ca -0.07 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1ot4 s ALA 85 Cb -0.08 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1ot4 s ALA 85 CO 0.00 -0.15 0.32 0.54 0.00 0.00 0.00 175.76 176.47 1ot4 s VAL 86 N -2.34 5.10 0.03 0.00 0.11 -1.26 -1.33 120.40 120.70 1ot4 s VAL 86 Ca -0.03 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1ot4 s VAL 86 Cb -0.03 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 1ot4 s VAL 86 CO -0.03 -0.33 0.00 -1.20 -3.33 0.00 0.00 175.10 170.22 1ot4 n SER 87 N -1.34 0.03 0.05 3.54 7.64 -1.26 -4.74 113.62 117.54 1ot4 n SER 87 Ca -0.09 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ot4 n SER 87 Cb 0.57 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 -2.76 -0.69 0.00 6.43 2.88 -1.26 -5.10 113.62 113.11 1ot4 n SER 88 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1ot4 n SER 88 Cb 0.15 0.89 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 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 -2.75 0.00 -1.90 -3.46 8.00 -1.26 -5.14 116.55 110.04 1ot4 n ASP 89 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ot4 n ASP 89 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ot4 n THR 90 N -1.00-11.28 -3.18 -3.53 -1.04 -1.26 -4.76 114.28 88.22 1ot4 n THR 90 Ca 0.00 2.67 -0.06 0.00 -2.04 0.00 0.00 64.05 64.62 1ot4 n THR 90 Cb 0.00 -5.15 0.01 0.00 -1.82 0.00 0.00 70.33 63.36 1ot4 n THR 90 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1ot4 n HIS 91 N 1.50 -0.90 -0.20 -1.42 8.25 -1.26 -4.97 115.22 116.23 1ot4 n HIS 91 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1ot4 n HIS 91 Cb 0.00 -1.50 0.00 0.00 1.12 0.00 0.00 29.99 29.61 1ot4 n HIS 91 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ot4 n PRO 92 N 0.98 0.60 -4.07 -0.41 -0.04 -1.26 -5.02 135.00 125.79 1ot4 n PRO 92 Ca -0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 1ot4 n PRO 92 Cb 0.47 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.84 1ot4 n PRO 92 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ot4 s ILE 93 N -0.26 4.82 0.10 0.52 1.10 -0.45 -5.01 121.20 122.01 1ot4 s ILE 93 Ca 0.00 -0.04 0.10 0.00 -0.51 0.00 0.00 60.65 60.20 1ot4 s ILE 93 Cb 0.00 -3.12 -0.04 0.00 0.15 0.00 0.00 42.46 39.45 1ot4 s ILE 93 CO 0.00 0.52 -0.23 0.42 -2.11 0.00 0.00 174.94 173.54 1ot4 s THR 94 N -0.18 2.47 0.04 4.00 -4.23 -1.26 -0.65 115.64 115.83 1ot4 s THR 94 Ca 0.07 -1.53 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1ot4 s THR 94 Cb -0.12 -2.07 -0.00 0.00 1.34 0.00 0.00 72.50 71.64 1ot4 s THR 94 CO 0.01 0.19 0.15 -0.83 -0.54 0.00 0.00 174.62 173.59 1ot4 s GLY 95 N -1.82 0.10 0.04 3.99 0.00 0.15 -4.99 107.32 104.79 1ot4 s GLY 95 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1ot4 s GLY 95 CO 0.06 -0.57 -0.04 -0.56 0.00 0.00 0.00 173.10 171.99 1ot4 s SER 96 N -2.10 0.49 -0.23 1.64 0.01 -1.26 0.10 113.70 112.36 1ot4 s SER 96 Ca -0.05 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 56.51 1ot4 s SER 96 Cb -0.01 0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.41 1ot4 s SER 96 CO -0.04 -0.36 0.14 -0.69 0.41 0.00 0.00 173.24 172.70 1ot4 s VAL 97 N -2.14 -0.13 0.07 3.43 1.01 0.15 -4.96 120.40 117.84 1ot4 s VAL 97 Ca -0.08 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1ot4 s VAL 97 Cb -0.05 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 1ot4 s VAL 97 CO -0.03 -0.45 0.62 0.28 0.00 0.00 0.00 175.10 175.52 1ot4 s THR 98 N 2.16 4.70 0.03 3.92 -1.32 -1.26 -0.86 115.64 123.01 1ot4 s THR 98 Ca 0.06 1.33 -0.12 0.00 -1.21 0.00 0.00 61.69 61.74 1ot4 s THR 98 Cb -0.16 -3.96 0.01 0.00 -1.51 0.00 0.00 72.50 66.89 1ot4 s THR 98 CO -0.22 0.52 0.26 0.72 -2.21 0.00 0.00 174.62 173.70 1ot4 s PHE 99 N -0.91 -0.07 0.36 9.09 -0.12 -0.46 0.45 117.98 126.32 1ot4 s PHE 99 Ca 0.31 -0.04 0.07 0.00 -0.05 0.00 0.00 56.93 57.22 1ot4 s PHE 99 Cb -0.20 0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 1ot4 s PHE 99 CO 0.20 -0.45 0.34 0.15 -0.05 0.00 0.00 175.22 175.41 1ot4 s LYS 100 N -2.23 2.72 -0.13 1.99 1.02 0.15 -1.52 119.74 121.75 1ot4 s LYS 100 Ca -0.07 -1.32 -0.04 0.00 0.02 0.00 0.00 55.97 54.56 1ot4 s LYS 100 Cb -0.02 -2.50 0.06 0.00 -0.52 0.00 0.00 37.83 34.85 1ot4 s LYS 100 CO -0.02 0.02 0.18 0.08 -0.92 0.00 0.00 175.35 174.69 1ot4 s VAL 101 N -2.33 -0.27 -1.44 3.17 1.01 -0.00 -3.71 120.40 116.83 1ot4 s VAL 101 Ca 0.43 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.70 1ot4 s VAL 101 Cb -0.06 -0.43 0.09 0.00 0.00 0.00 0.00 36.38 35.98 1ot4 s VAL 101 CO 0.27 0.01 0.86 0.29 0.00 0.00 0.00 175.10 176.54