#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 2.54 -3.69 -0.41 -0.04 -1.26 -4.74 135.00 127.40 1ot4 n PRO 2 Ca 0.00 -1.93 -0.11 0.00 -0.04 0.00 0.00 63.50 61.42 1ot4 n PRO 2 Cb 0.00 -2.78 -0.11 0.00 -0.04 0.00 0.00 33.50 30.56 1ot4 n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ot4 s LYS 3 N 3.36 0.28 1.14 0.54 2.20 -1.26 -4.73 119.74 121.27 1ot4 s LYS 3 Ca 0.52 0.79 -0.16 0.00 -0.36 0.00 0.00 55.97 56.77 1ot4 s LYS 3 Cb 0.14 0.04 0.26 0.00 -1.51 0.00 0.00 37.83 36.76 1ot4 s LYS 3 CO -0.02 -0.21 1.07 -0.48 -0.36 0.00 0.00 175.35 175.35 1ot4 s LEU 4 N 1.90 0.85 0.00 5.43 -0.00 -1.26 -4.99 118.68 120.60 1ot4 s LEU 4 Ca -0.05 1.02 0.00 0.00 -0.00 0.00 0.00 54.13 55.10 1ot4 s LEU 4 Cb -0.10 -2.92 0.00 0.00 -0.00 0.00 0.00 46.19 43.16 1ot4 s LEU 4 CO -0.11 -3.90 0.45 0.52 -0.00 0.00 0.00 176.35 173.31 1ot4 n VAL 5 N -4.66 0.00 -3.90 1.48 0.31 -1.26 -4.91 118.33 105.39 1ot4 n VAL 5 Ca 0.08 0.95 -0.11 0.00 -0.01 0.00 0.00 64.34 65.25 1ot4 n VAL 5 Cb 0.58 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.17 0.07 0.22 4.52 0.01 -1.23 -5.06 113.70 110.06 1ot4 s SER 6 Ca 0.00 -0.27 -0.19 0.00 1.31 0.00 0.00 55.95 56.80 1ot4 s SER 6 Cb 0.00 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.44 1ot4 s SER 6 CO 0.00 -0.35 0.60 -0.94 0.41 0.00 0.00 173.24 172.96 1ot4 s SER 7 N -1.39 -0.29 -0.39 2.44 1.04 -1.26 0.60 113.70 114.44 1ot4 s SER 7 Ca -0.15 -0.49 0.12 0.00 0.48 0.00 0.00 55.95 55.91 1ot4 s SER 7 Cb -0.08 0.64 0.37 0.00 0.10 0.00 0.00 66.02 67.04 1ot4 s SER 7 CO 0.01 -1.15 0.80 0.41 0.98 0.00 0.00 173.24 174.29 1ot4 n THR 8 N -0.39 0.52 0.00 2.02 -1.04 0.19 -4.91 114.28 110.66 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 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 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 0.14 0.00 0.00 -2.82 -0.04 -1.12 -1.57 135.00 129.58 1ot4 n PRO 9 Ca 0.24 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1ot4 n PRO 9 Cb 0.65 -0.94 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 -1.43 0.00 -1.43 0.55 0.00 -1.26 -4.63 120.51 112.30 1ot4 n ALA 10 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 1ot4 n ALA 10 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.97 -4.02 0.00 1.02 -1.26 -1.93 120.64 115.43 1ot4 n GLU 11 Ca 0.00 0.26 -0.34 0.00 -0.02 0.00 0.00 57.16 57.06 1ot4 n GLU 11 Cb 0.00 -2.38 -0.02 0.00 -0.02 0.00 0.00 31.44 29.02 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 6.62 -0.46 3.23 0.62 0.00 0.14 -4.91 105.19 110.43 1ot4 n GLY 12 Ca 0.43 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.92 3.17 -0.14 1.61 0.01 -0.81 -4.97 113.70 108.65 1ot4 s SER 13 Ca 0.26 -0.55 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 1ot4 s SER 13 Cb -0.14 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 1ot4 s SER 13 CO 0.81 0.15 0.11 -1.61 0.41 0.00 0.00 173.24 173.11 1ot4 s GLU 14 N 0.41 3.56 0.00 12.44 2.02 -1.26 -1.30 118.70 134.57 1ot4 s GLU 14 Ca -0.17 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1ot4 s GLU 14 Cb -0.17 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1ot4 s GLU 14 CO 0.07 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.39 1ot4 n GLY 15 N 2.44 2.35 0.00 -1.39 0.00 -1.18 -4.96 105.19 102.44 1ot4 n GLY 15 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ot4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 n ALA 16 N -3.00 0.00 -2.38 4.61 0.00 -1.26 0.31 120.51 118.79 1ot4 n ALA 16 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ot4 n ALA 16 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ot4 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ot4 n ALA 17 N 0.00 -3.38 -1.11 0.00 0.00 -1.24 -4.80 120.51 109.99 1ot4 n ALA 17 Ca 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.87 1ot4 n ALA 17 Cb 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1ot4 n ALA 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ot4 n PRO 18 N 0.57 -0.87 0.00 0.00 -0.04 -1.26 -4.94 135.00 128.45 1ot4 n PRO 18 Ca -0.02 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1ot4 n PRO 18 Cb 0.04 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 1ot4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 n ALA 19 N -3.29 0.00 -3.34 0.55 0.00 -1.26 -4.81 120.51 108.36 1ot4 n ALA 19 Ca -0.04 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1ot4 n ALA 19 Cb 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.88 0.95 0.24 0.00 0.00 -1.26 -4.72 119.74 114.07 1ot4 s LYS 20 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 55.97 55.68 1ot4 s LYS 20 Cb 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 37.83 38.18 1ot4 s LYS 20 CO 0.00 -0.31 0.75 0.42 0.00 0.00 0.00 175.35 176.21 1ot4 s ILE 21 N -1.83 4.54 0.07 3.79 1.09 0.46 -4.87 121.20 124.46 1ot4 s ILE 21 Ca -0.09 1.31 0.06 0.00 -1.10 0.00 0.00 60.65 60.83 1ot4 s ILE 21 Cb -0.02 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.50 1ot4 s ILE 21 CO 0.03 0.16 -0.08 -0.70 -0.10 0.00 0.00 174.94 174.25 1ot4 s GLU 22 N -2.08 2.29 -0.04 2.79 -6.30 -0.61 -0.11 118.70 114.64 1ot4 s GLU 22 Ca 0.45 -0.92 -0.13 0.00 -2.50 0.00 0.00 54.97 51.87 1ot4 s GLU 22 Cb -0.16 -2.38 0.02 0.00 0.00 0.00 0.00 34.13 31.61 1ot4 s GLU 22 CO 0.21 0.54 0.30 -0.51 0.02 0.00 0.00 175.26 175.81 1ot4 s LEU 23 N -1.97 0.90 0.04 2.70 1.43 0.14 0.53 118.68 122.44 1ot4 s LEU 23 Ca 0.20 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1ot4 s LEU 23 Cb -0.11 1.16 -0.03 0.00 0.03 0.00 0.00 46.19 47.24 1ot4 s LEU 23 CO 0.12 -0.34 -0.05 -1.00 0.23 0.00 0.00 176.35 175.31 1ot4 s HIS 24 N -0.90 0.46 -0.33 0.29 3.76 0.20 -0.53 115.29 118.25 1ot4 s HIS 24 Ca -0.10 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.19 1ot4 s HIS 24 Cb -0.05 -0.31 0.16 0.00 1.11 0.00 0.00 32.58 33.49 1ot4 s HIS 24 CO 0.03 -0.19 0.40 -0.06 -0.85 0.00 0.00 174.74 174.06 1ot4 s PHE 25 N -2.03 -0.74 -1.32 1.40 0.08 -0.30 -3.54 117.98 111.53 1ot4 s PHE 25 Ca -0.08 -0.14 0.15 0.00 0.12 0.00 0.00 56.93 56.98 1ot4 s PHE 25 Cb -0.06 -0.26 0.74 0.00 -0.57 0.00 0.00 43.02 42.88 1ot4 s PHE 25 CO -0.02 -0.99 1.44 0.43 -0.10 0.00 0.00 175.22 175.98 1ot4 n SER 26 N 4.92 0.00 -3.40 1.36 7.64 -1.26 -4.03 113.62 118.84 1ot4 n SER 26 Ca 0.04 0.18 -0.22 0.00 1.01 0.00 0.00 58.87 59.88 1ot4 n SER 26 Cb 0.48 -0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 63.25 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ot4 s GLU 27 N -2.68 0.61 0.00 1.43 2.12 -1.26 -4.98 118.70 113.94 1ot4 s GLU 27 Ca 0.13 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.39 1ot4 s GLU 27 Cb 0.10 -0.96 0.00 0.00 0.26 0.00 0.00 34.13 33.53 1ot4 s GLU 27 CO 0.24 -1.21 0.00 -1.71 -0.54 0.00 0.00 175.26 172.05 1ot4 n ASN 28 N 4.13 0.00 -4.10 -1.70 5.15 -1.26 -4.95 115.26 112.54 1ot4 n ASN 28 Ca 0.12 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.76 1ot4 n ASN 28 Cb 0.42 0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.70 1ot4 n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ot4 n LEU 29 N -1.33 -0.81 -3.79 1.20 -0.00 -1.26 -4.88 117.00 106.13 1ot4 n LEU 29 Ca 0.00 -0.88 -0.14 0.00 -0.00 0.00 0.00 56.01 55.00 1ot4 n LEU 29 Cb 0.00 -1.57 -0.15 0.00 -0.00 0.00 0.00 43.42 41.70 1ot4 n LEU 29 CO 0.00 0.10 -0.30 -0.69 -0.00 0.00 0.00 177.39 176.50 1ot4 s VAL 30 N -3.02 -0.04 -0.60 1.47 1.01 -1.26 -5.06 120.40 112.91 1ot4 s VAL 30 Ca 0.66 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.81 1ot4 s VAL 30 Cb -0.38 -0.12 0.37 0.00 0.00 0.00 0.00 36.38 36.25 1ot4 s VAL 30 CO 0.81 0.06 1.23 1.07 0.00 0.00 0.00 175.10 178.27 1ot4 n THR 31 N 3.81 3.16 0.00 3.92 5.66 -1.26 -4.75 114.28 124.82 1ot4 n THR 31 Ca -0.22 -5.21 0.00 0.00 -3.05 0.00 0.00 64.05 55.57 1ot4 n THR 31 Cb 0.54 -1.34 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 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 -0.36 0.00 -2.71 1.09 -0.06 -1.26 -4.83 117.38 109.24 1ot4 n GLN 32 Ca 0.39 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 55.10 1ot4 n GLN 32 Cb 0.47 -0.12 -0.02 0.00 -4.06 0.00 0.00 30.24 26.51 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 -1.72 3.68 -4.09 3.69 3.01 -1.26 -4.99 117.46 115.78 1ot4 n PHE 33 Ca 0.00 -3.50 -0.32 0.00 1.01 0.00 0.00 57.45 54.64 1ot4 n PHE 33 Cb 0.00 -0.48 -0.16 0.00 -0.01 0.00 0.00 39.48 38.84 1ot4 n PHE 33 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1ot4 s SER 34 N -3.15 3.46 0.05 4.37 1.04 -1.26 -3.58 113.70 114.63 1ot4 s SER 34 Ca 0.48 -0.85 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 1ot4 s SER 34 Cb 0.32 -1.45 0.03 0.00 0.10 0.00 0.00 66.02 65.02 1ot4 s SER 34 CO -0.17 -0.07 0.47 0.61 0.98 0.00 0.00 173.24 175.06 1ot4 n GLY 35 N 4.59 0.81 3.45 7.32 0.00 -0.32 -5.02 105.19 116.02 1ot4 n GLY 35 Ca -0.18 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.43 -0.75 -0.21 4.61 0.00 -1.26 0.19 121.76 122.91 1ot4 s ALA 36 Ca 0.11 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1ot4 s ALA 36 Cb -0.01 0.83 0.08 0.00 0.00 0.00 0.00 23.12 24.02 1ot4 s ALA 36 CO 0.01 -0.75 0.46 0.15 0.00 0.00 0.00 175.76 175.64 1ot4 s LYS 37 N -3.88 0.40 0.12 0.00 -0.14 0.10 -4.80 119.74 111.55 1ot4 s LYS 37 Ca 0.10 1.01 -0.22 0.00 -1.36 0.00 0.00 55.97 55.51 1ot4 s LYS 37 Cb 0.00 0.26 -0.07 0.00 -1.68 0.00 0.00 37.83 36.33 1ot4 s LYS 37 CO -0.04 -0.21 0.66 -1.17 -0.76 0.00 0.00 175.35 173.84 1ot4 s LEU 38 N 2.18 4.54 -0.02 3.17 2.96 -1.26 -1.24 118.68 129.00 1ot4 s LEU 38 Ca -0.05 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1ot4 s LEU 38 Cb -0.10 -3.12 0.02 0.00 0.50 0.00 0.00 46.19 43.49 1ot4 s LEU 38 CO -0.14 0.23 0.01 0.68 -1.32 0.00 0.00 176.35 175.81 1ot4 s VAL 39 N -1.17 0.03 -0.85 1.68 -7.23 -0.77 -0.30 120.40 111.80 1ot4 s VAL 39 Ca 0.33 0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 60.40 1ot4 s VAL 39 Cb -0.21 -0.13 0.07 0.00 0.56 0.00 0.00 36.38 36.68 1ot4 s VAL 39 CO 0.22 0.09 1.20 -0.32 -0.31 0.00 0.00 175.10 175.98 1ot4 s MET 40 N 0.83 3.40 -0.58 4.82 1.75 -0.16 -1.23 119.30 128.13 1ot4 s MET 40 Ca -0.07 -1.07 0.05 0.00 -1.25 0.00 0.00 55.69 53.34 1ot4 s MET 40 Cb -0.11 -4.73 0.34 0.00 2.84 0.00 0.00 34.83 33.17 1ot4 s MET 40 CO -0.02 -1.98 0.98 -2.37 -0.65 0.00 0.00 175.02 170.99 1ot4 n THR 41 N 6.16 3.12 -0.92 10.11 5.66 -1.18 -3.06 114.28 134.17 1ot4 n THR 41 Ca 0.16 -5.56 -0.36 0.00 -3.05 0.00 0.00 64.05 55.24 1ot4 n THR 41 Cb 0.49 -1.40 0.07 0.00 -1.55 0.00 0.00 70.33 67.94 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 -0.26 -4.91 -1.05 1.79 0.00 -0.00 -4.63 120.51 111.45 1ot4 n ALA 42 Ca 0.32 -0.98 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 1ot4 n ALA 42 Cb 0.40 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.68 1ot4 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ot4 n MET 43 N 1.09 0.00 -2.46 0.00 0.00 -1.26 -4.88 117.12 109.61 1ot4 n MET 43 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1ot4 n MET 43 Cb 0.62 -0.99 -0.03 0.00 0.00 0.00 0.00 33.22 32.82 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 -1.76 3.73 0.00 3.17 0.04 -1.26 -4.48 135.00 134.44 1ot4 s PRO 44 Ca 0.44 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1ot4 s PRO 44 Cb -0.25 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1ot4 s PRO 44 CO 0.79 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1ot4 n GLY 45 N -0.41 2.88 3.09 0.56 0.00 -1.26 -5.03 105.19 105.02 1ot4 n GLY 45 Ca 0.09 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 2.47 -0.31 1.61 -1.94 -1.26 -4.79 119.30 115.08 1ot4 s MET 46 Ca 0.00 -2.46 -0.08 0.00 -1.71 0.00 0.00 55.69 51.44 1ot4 s MET 46 Cb 0.00 -3.69 0.01 0.00 2.01 0.00 0.00 34.83 33.16 1ot4 s MET 46 CO 0.00 -1.16 0.40 -1.91 -0.01 0.00 0.00 175.02 172.34 1ot4 n GLU 47 N 3.58 -1.40 -2.36 2.03 2.13 -1.26 -4.88 120.64 118.49 1ot4 n GLU 47 Ca 0.07 1.47 -0.43 0.00 0.66 0.00 0.00 57.16 58.92 1ot4 n GLU 47 Cb 0.38 -4.20 0.00 0.00 0.27 0.00 0.00 31.44 27.89 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 -0.59 3.83 -3.81 4.31 -0.00 -1.26 -4.87 115.22 112.82 1ot4 n HIS 48 Ca 0.06 -2.97 -0.15 0.00 -0.00 0.00 0.00 57.72 54.66 1ot4 n HIS 48 Cb 0.33 -2.27 -0.16 0.00 -0.00 0.00 0.00 29.99 27.89 1ot4 n HIS 48 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1ot4 s SER 49 N 2.45 0.14 -0.61 0.26 0.01 -1.26 -5.06 113.70 109.63 1ot4 s SER 49 Ca 0.45 0.02 -0.27 0.00 1.31 0.00 0.00 55.95 57.46 1ot4 s SER 49 Cb 0.07 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.21 1ot4 s SER 49 CO -0.01 -0.11 1.52 -2.16 0.41 0.00 0.00 173.24 172.89 1ot4 s PRO 50 N 0.99 3.08 -0.47 12.44 0.04 -1.26 -4.50 135.00 145.32 1ot4 s PRO 50 Ca -0.09 0.36 -0.18 0.00 0.04 0.00 0.00 61.00 61.14 1ot4 s PRO 50 Cb -0.12 -4.22 0.05 0.00 0.04 0.00 0.00 34.50 30.25 1ot4 s PRO 50 CO -0.03 -2.22 0.52 -1.64 0.04 0.00 0.00 177.00 173.68 1ot4 s MET 51 N 6.01 3.09 0.33 4.56 -1.94 -1.17 -4.85 119.30 125.33 1ot4 s MET 51 Ca 0.53 -0.93 -0.26 0.00 -1.71 0.00 0.00 55.69 53.32 1ot4 s MET 51 Cb -0.11 -4.06 -0.14 0.00 2.01 0.00 0.00 34.83 32.53 1ot4 s MET 51 CO 0.22 -1.06 0.78 0.00 -0.01 0.00 0.00 175.02 174.95 1ot4 n ALA 52 N 5.79 -1.01 -2.39 3.03 0.00 -1.26 -0.98 120.51 123.69 1ot4 n ALA 52 Ca -0.08 0.31 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 1ot4 n ALA 52 Cb 0.46 -1.88 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.20 3.00 -1.19 0.00 0.11 0.59 -4.78 120.40 116.93 1ot4 s VAL 53 Ca 0.61 -1.44 -0.16 0.00 -2.93 0.00 0.00 61.98 58.06 1ot4 s VAL 53 Cb -0.69 -3.06 0.13 0.00 -1.53 0.00 0.00 36.38 31.23 1ot4 s VAL 53 CO 0.58 -0.09 1.48 -0.54 -3.33 0.00 0.00 175.10 173.21 1ot4 s LYS 54 N -4.01 3.97 0.45 1.54 1.02 -1.26 -4.73 119.74 116.71 1ot4 s LYS 54 Ca 0.43 -2.23 0.04 0.00 0.02 0.00 0.00 55.97 54.22 1ot4 s LYS 54 Cb -0.03 -5.20 -0.04 0.00 -0.52 0.00 0.00 37.83 32.04 1ot4 s LYS 54 CO 0.26 -1.93 0.03 0.00 -0.92 0.00 0.00 175.35 172.78 1ot4 s ALA 55 N 2.66 3.48 -0.08 5.17 0.00 -1.26 -2.86 121.76 128.87 1ot4 s ALA 55 Ca 0.45 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1ot4 s ALA 55 Cb -0.01 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1ot4 s ALA 55 CO 0.01 -0.12 0.28 0.00 0.00 0.00 0.00 175.76 175.92 1ot4 s ALA 56 N -2.91 -0.70 -0.20 0.00 0.00 -1.16 -4.85 121.76 111.94 1ot4 s ALA 56 Ca 0.21 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 1ot4 s ALA 56 Cb 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1ot4 s ALA 56 CO 0.11 -0.17 0.12 0.14 0.00 0.00 0.00 175.76 175.95 1ot4 s VAL 57 N -0.30 5.31 -0.01 0.00 -7.23 -1.26 -1.14 120.40 115.77 1ot4 s VAL 57 Ca -0.04 0.15 -0.00 0.00 -1.81 0.00 0.00 61.98 60.28 1ot4 s VAL 57 Cb -0.03 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.51 1ot4 s VAL 57 CO 0.01 0.45 0.02 -0.44 -0.31 0.00 0.00 175.10 174.83 1ot4 s SER 58 N 0.35 0.04 0.65 4.85 0.01 0.56 -4.97 113.70 115.20 1ot4 s SER 58 Ca 0.07 0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 1ot4 s SER 58 Cb -0.11 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 1ot4 s SER 58 CO -0.02 -0.08 1.06 -0.83 0.41 0.00 0.00 173.24 173.78 1ot4 s GLY 59 N 0.70 1.84 0.00 3.44 0.00 -1.26 0.42 107.32 112.46 1ot4 s GLY 59 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1ot4 s GLY 59 CO -0.02 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.19 1ot4 n GLY 60 N -1.63 0.81 1.90 0.20 0.00 -0.51 -4.75 105.19 101.21 1ot4 n GLY 60 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 5.00 4.06 3.64 -0.02 0.00 -1.26 -4.86 105.19 111.75 1ot4 n GLY 61 Ca 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.52 -0.02 0.00 1.61 1.01 -1.26 -5.00 116.67 112.48 1ot4 s ASP 62 Ca 0.40 0.02 0.22 0.00 0.71 0.00 0.00 52.55 53.90 1ot4 s ASP 62 Cb 0.32 0.02 0.99 0.00 1.01 0.00 0.00 42.92 45.26 1ot4 s ASP 62 CO 0.04 -0.03 1.71 -0.81 0.21 0.00 0.00 175.17 176.30 1ot4 n PRO 63 N 0.44 0.08 0.02 8.23 -0.04 -1.26 -2.04 135.00 140.43 1ot4 n PRO 63 Ca 0.01 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 1ot4 n PRO 63 Cb 0.59 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.44 0.16 -4.18 0.54 2.85 -1.26 -4.76 118.16 110.07 1ot4 n LYS 64 Ca 0.07 0.01 -0.34 0.00 -1.05 0.00 0.00 58.31 57.00 1ot4 n LYS 64 Cb 0.24 -1.57 -0.13 0.00 -0.65 0.00 0.00 35.03 32.92 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 -3.10 3.69 0.09 0.58 2.01 -0.87 -1.14 115.64 116.89 1ot4 s THR 65 Ca 0.07 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1ot4 s THR 65 Cb 0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1ot4 s THR 65 CO 0.76 0.45 -0.00 -0.04 -0.69 0.00 0.00 174.62 175.09 1ot4 s MET 66 N 0.92 2.54 -0.15 4.92 -1.94 0.31 -1.42 119.30 124.48 1ot4 s MET 66 Ca 0.00 -0.84 -0.04 0.00 -1.71 0.00 0.00 55.69 53.10 1ot4 s MET 66 Cb -0.15 -2.54 0.07 0.00 2.01 0.00 0.00 34.83 34.23 1ot4 s MET 66 CO 0.01 0.54 0.21 0.08 -0.01 0.00 0.00 175.02 175.85 1ot4 s VAL 67 N -1.30 -0.32 -0.25 -6.03 1.01 0.17 0.23 120.40 113.91 1ot4 s VAL 67 Ca 0.25 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 1ot4 s VAL 67 Cb -0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1ot4 s VAL 67 CO 0.18 -0.01 0.78 -0.63 0.00 0.00 0.00 175.10 175.42 1ot4 s ILE 68 N 2.33 4.87 -0.31 2.22 1.09 0.85 -0.32 121.20 131.92 1ot4 s ILE 68 Ca 0.04 1.44 0.00 0.00 -1.10 0.00 0.00 60.65 61.04 1ot4 s ILE 68 Cb -0.14 -4.08 0.10 0.00 -1.06 0.00 0.00 42.46 37.28 1ot4 s ILE 68 CO -0.09 -0.06 0.07 -0.89 -0.10 0.00 0.00 174.94 173.87 1ot4 s THR 69 N 2.78 1.24 0.21 2.92 2.01 -0.29 -0.40 115.64 124.11 1ot4 s THR 69 Ca 0.33 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.45 1ot4 s THR 69 Cb -0.15 -1.89 -0.08 0.00 0.01 0.00 0.00 72.50 70.38 1ot4 s THR 69 CO 0.08 -0.60 1.10 -2.16 -0.69 0.00 0.00 174.62 172.36 1ot4 s PRO 70 N 1.44 4.61 0.47 4.92 0.04 -1.26 -2.98 135.00 142.23 1ot4 s PRO 70 Ca 0.08 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.11 1ot4 s PRO 70 Cb -0.18 -3.25 1.14 0.00 0.04 0.00 0.00 34.50 32.25 1ot4 s PRO 70 CO -0.19 0.12 1.94 0.00 0.04 0.00 0.00 177.00 178.91 1ot4 h ALA 71 N 4.68 1.21 -3.47 8.56 0.00 -1.85 -3.42 119.26 124.96 1ot4 h ALA 71 Ca -0.45 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.60 1ot4 h ALA 71 Cb 1.21 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 1ot4 h ALA 71 CO 0.71 0.26 -0.66 0.45 0.00 0.00 0.00 179.25 180.00 1ot4 s SER 72 N -6.32 4.94 0.16 0.00 0.15 -1.25 -5.09 113.70 106.30 1ot4 s SER 72 Ca -0.02 -0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1ot4 s SER 72 Cb 0.12 -1.28 -0.07 0.00 -1.71 0.00 0.00 66.02 63.08 1ot4 s SER 72 CO 0.63 0.32 1.13 -2.16 1.20 0.00 0.00 173.24 174.36 1ot4 s PRO 73 N -1.21 4.56 -0.15 5.44 0.04 -1.26 -4.96 135.00 137.45 1ot4 s PRO 73 Ca 0.16 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 1ot4 s PRO 73 Cb -0.11 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1ot4 s PRO 73 CO 0.06 0.01 1.73 -0.51 0.04 0.00 0.00 177.00 178.32 1ot4 s LEU 74 N -0.17 4.00 0.48 -3.56 1.43 -1.26 -4.98 118.68 114.62 1ot4 s LEU 74 Ca 0.51 1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 55.47 1ot4 s LEU 74 Cb -0.30 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1ot4 s LEU 74 CO 0.35 -1.24 0.78 0.42 0.23 0.00 0.00 176.35 176.89 1ot4 s THR 75 N 5.19 4.85 0.22 5.49 -4.23 -1.26 -3.71 115.64 122.20 1ot4 s THR 75 Ca 0.77 0.16 -0.28 0.00 -1.18 0.00 0.00 61.69 61.16 1ot4 s THR 75 Cb -0.30 -3.84 -0.17 0.00 1.34 0.00 0.00 72.50 69.53 1ot4 s THR 75 CO 0.31 -0.82 0.53 0.00 -0.54 0.00 0.00 174.62 174.10 1ot4 n ALA 76 N -2.26 -2.74 0.00 3.99 0.00 -1.26 -4.71 120.51 113.54 1ot4 n ALA 76 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1ot4 n ALA 76 Cb 0.55 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1ot4 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ot4 n GLY 77 N 1.97 0.79 2.99 0.00 0.00 0.12 -4.97 105.19 106.09 1ot4 n GLY 77 Ca 0.17 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.10 0.47 0.28 2.61 2.01 -1.26 -0.28 115.64 116.37 1ot4 s THR 78 Ca 0.00 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1ot4 s THR 78 Cb 0.00 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1ot4 s THR 78 CO 0.00 -0.03 0.31 -0.31 -0.69 0.00 0.00 174.62 173.89 1ot4 s TYR 79 N -0.51 1.25 -0.11 4.92 1.51 -0.69 -0.82 117.35 122.89 1ot4 s TYR 79 Ca -0.02 -1.38 -0.05 0.00 -1.01 0.00 0.00 57.07 54.62 1ot4 s TYR 79 Cb -0.05 -0.41 0.05 0.00 -0.11 0.00 0.00 41.96 41.45 1ot4 s TYR 79 CO -0.00 -0.88 0.23 0.21 -1.11 0.00 0.00 175.55 174.00 1ot4 s LYS 80 N -3.62 0.16 -0.37 -0.62 2.36 -0.37 -1.15 119.74 116.13 1ot4 s LYS 80 Ca 0.36 0.59 -0.17 0.00 -2.55 0.00 0.00 55.97 54.20 1ot4 s LYS 80 Cb 0.03 -0.11 0.00 0.00 -1.05 0.00 0.00 37.83 36.70 1ot4 s LYS 80 CO 0.19 -0.22 0.42 0.08 1.55 0.00 0.00 175.35 177.37 1ot4 s VAL 81 N 1.74 5.11 -0.38 4.02 1.01 0.13 -1.84 120.40 130.18 1ot4 s VAL 81 Ca -0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1ot4 s VAL 81 Cb -0.11 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1ot4 s VAL 81 CO -0.08 -0.25 0.49 -1.81 0.00 0.00 0.00 175.10 173.45 1ot4 s ASP 82 N 1.77 6.26 0.27 3.32 1.11 -0.38 -0.18 116.67 128.85 1ot4 s ASP 82 Ca 0.13 -0.27 0.08 0.00 0.18 0.00 0.00 52.55 52.67 1ot4 s ASP 82 Cb -0.16 -2.25 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1ot4 s ASP 82 CO 0.13 -0.53 0.15 -1.66 1.18 0.00 0.00 175.17 174.44 1ot4 s TRP 83 N 2.33 2.93 -0.16 4.23 1.48 0.22 0.02 118.94 129.99 1ot4 s TRP 83 Ca 0.16 -0.19 -0.05 0.00 -1.06 0.00 0.00 56.10 54.96 1ot4 s TRP 83 Cb -0.16 -1.41 0.08 0.00 -1.16 0.00 0.00 33.47 30.82 1ot4 s TRP 83 CO 0.14 0.49 0.31 1.03 -4.06 0.00 0.00 176.95 174.86 1ot4 s ARG 84 N -3.81 0.21 0.28 3.25 0.52 0.13 0.26 118.95 119.79 1ot4 s ARG 84 Ca 0.34 0.77 0.06 0.00 -0.52 0.00 0.00 55.73 56.38 1ot4 s ARG 84 Cb -0.07 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 1ot4 s ARG 84 CO 0.23 -0.33 0.39 0.00 0.02 0.00 0.00 175.30 175.62 1ot4 s ALA 85 N 2.47 4.03 0.10 2.13 0.00 0.75 -1.18 121.76 130.08 1ot4 s ALA 85 Ca 0.02 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 50.70 1ot4 s ALA 85 Cb -0.12 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1ot4 s ALA 85 CO -0.10 0.13 -0.14 0.54 0.00 0.00 0.00 175.76 176.19 1ot4 s VAL 86 N -2.07 1.27 0.13 0.00 0.11 -1.23 -0.29 120.40 118.32 1ot4 s VAL 86 Ca 0.38 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 1ot4 s VAL 86 Cb -0.09 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 1ot4 s VAL 86 CO 0.30 -0.35 0.00 -0.24 -3.33 0.00 0.00 175.10 171.48 1ot4 n SER 87 N 0.79 0.75 0.00 3.54 2.88 -1.26 -4.80 113.62 115.51 1ot4 n SER 87 Ca -0.17 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ot4 n SER 87 Cb 0.56 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1ot4 n SER 87 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ot4 n SER 88 N -3.39 0.00 -1.33 -3.46 2.88 -1.26 -4.99 113.62 102.07 1ot4 n SER 88 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1ot4 n SER 88 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.00 -7.89 -0.47 -3.46 2.03 -1.26 -4.94 116.55 100.57 1ot4 n ASP 89 Ca 0.00 1.13 0.03 0.00 0.52 0.00 0.00 54.79 56.47 1ot4 n ASP 89 Cb 0.00 -3.18 -0.01 0.00 -0.72 0.00 0.00 41.12 37.21 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1ot4 n THR 90 N -3.63 0.00 -2.78 5.18 5.66 -1.26 -4.68 114.28 112.77 1ot4 n THR 90 Ca 0.01 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.67 1ot4 n THR 90 Cb 0.48 -0.08 -0.06 0.00 -1.55 0.00 0.00 70.33 69.11 1ot4 n THR 90 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1ot4 s HIS 91 N -0.65 3.34 1.05 1.09 3.76 -1.26 -5.03 115.29 117.60 1ot4 s HIS 91 Ca 0.00 1.63 -0.17 0.00 -0.15 0.00 0.00 55.06 56.38 1ot4 s HIS 91 Cb 0.00 -2.89 0.23 0.00 1.11 0.00 0.00 32.58 31.02 1ot4 s HIS 91 CO 0.00 -0.15 1.21 -1.25 -0.85 0.00 0.00 174.74 173.70 1ot4 s PRO 92 N -2.99 -0.04 -0.26 8.40 0.04 -1.26 -4.93 135.00 133.96 1ot4 s PRO 92 Ca 0.61 -0.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.35 1ot4 s PRO 92 Cb -0.12 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1ot4 s PRO 92 CO 0.16 -2.91 0.30 0.96 0.04 0.00 0.00 177.00 175.55 1ot4 s ILE 93 N -3.43 5.24 0.20 0.56 -4.36 0.61 -4.95 121.20 115.07 1ot4 s ILE 93 Ca 0.71 0.44 -0.07 0.00 -0.26 0.00 0.00 60.65 61.47 1ot4 s ILE 93 Cb -0.08 -3.63 -0.06 0.00 1.25 0.00 0.00 42.46 39.94 1ot4 s ILE 93 CO 0.54 0.22 0.48 0.42 0.24 0.00 0.00 174.94 176.84 1ot4 s THR 94 N 1.72 5.05 0.06 8.37 -4.23 -1.26 -0.18 115.64 125.16 1ot4 s THR 94 Ca 0.13 0.21 -0.20 0.00 -1.18 0.00 0.00 61.69 60.65 1ot4 s THR 94 Cb -0.15 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1ot4 s THR 94 CO 0.09 -0.07 0.46 -0.83 -0.54 0.00 0.00 174.62 173.73 1ot4 s GLY 95 N -2.54 -0.35 0.01 3.99 0.00 0.14 -4.68 107.32 103.91 1ot4 s GLY 95 Ca 0.44 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 45.54 1ot4 s GLY 95 CO 0.24 0.11 -0.01 -0.56 0.00 0.00 0.00 173.10 172.88 1ot4 s SER 96 N -2.10 0.17 -0.26 1.64 0.01 -1.26 0.70 113.70 112.59 1ot4 s SER 96 Ca -0.04 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 1ot4 s SER 96 Cb -0.00 0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.40 1ot4 s SER 96 CO -0.04 -0.23 0.10 -0.69 0.41 0.00 0.00 173.24 172.79 1ot4 s VAL 97 N -1.09 0.32 0.07 3.43 1.01 0.74 -4.94 120.40 119.94 1ot4 s VAL 97 Ca -0.12 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1ot4 s VAL 97 Cb -0.07 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1ot4 s VAL 97 CO -0.01 -0.57 0.69 0.28 0.00 0.00 0.00 175.10 175.50 1ot4 s THR 98 N 1.92 4.68 0.06 3.92 -1.32 -1.26 -0.69 115.64 122.93 1ot4 s THR 98 Ca 0.07 1.48 -0.07 0.00 -1.21 0.00 0.00 61.69 61.96 1ot4 s THR 98 Cb -0.17 -4.03 -0.01 0.00 -1.51 0.00 0.00 72.50 66.78 1ot4 s THR 98 CO -0.25 0.46 0.13 0.72 -2.21 0.00 0.00 174.62 173.46 1ot4 s PHE 99 N -0.59 0.20 0.33 9.09 -0.12 -0.30 0.27 117.98 126.87 1ot4 s PHE 99 Ca 0.34 -0.57 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 1ot4 s PHE 99 Cb -0.20 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.03 1ot4 s PHE 99 CO 0.22 -0.44 0.36 0.15 -0.05 0.00 0.00 175.22 175.46 1ot4 s LYS 100 N -3.19 2.90 -0.18 1.99 1.02 -0.42 -1.71 119.74 120.16 1ot4 s LYS 100 Ca -0.00 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 1ot4 s LYS 100 Cb 0.02 -2.62 0.09 0.00 -0.52 0.00 0.00 37.83 34.80 1ot4 s LYS 100 CO -0.07 0.10 0.30 0.08 -0.92 0.00 0.00 175.35 174.84 1ot4 s VAL 101 N -2.24 -0.47 -2.45 3.17 1.01 0.61 -3.13 120.40 116.91 1ot4 s VAL 101 Ca 0.42 0.11 0.28 0.00 0.00 0.00 0.00 61.98 62.79 1ot4 s VAL 101 Cb -0.07 -0.60 0.59 0.00 0.00 0.00 0.00 36.38 36.29 1ot4 s VAL 101 CO 0.28 -0.01 1.79 0.29 0.00 0.00 0.00 175.10 177.46