#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 4.24 -0.17 -0.41 0.04 -1.26 -5.05 135.00 132.38 1ot4 s PRO 2 Ca 0.00 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 1ot4 s PRO 2 Cb 0.00 -2.65 0.07 0.00 0.04 0.00 0.00 34.50 31.96 1ot4 s PRO 2 CO 0.00 -0.09 0.39 -1.59 0.04 0.00 0.00 177.00 175.75 1ot4 s LYS 3 N -2.32 0.32 0.73 4.56 0.00 -1.26 -4.92 119.74 116.86 1ot4 s LYS 3 Ca 0.56 0.87 -0.05 0.00 0.00 0.00 0.00 55.97 57.34 1ot4 s LYS 3 Cb -0.24 0.11 0.10 0.00 0.00 0.00 0.00 37.83 37.80 1ot4 s LYS 3 CO 0.30 -0.21 1.03 -0.48 0.00 0.00 0.00 175.35 175.99 1ot4 s LEU 4 N 2.01 2.90 0.00 2.77 -0.00 -1.26 -5.03 118.68 120.07 1ot4 s LEU 4 Ca -0.05 0.13 0.00 0.00 -0.00 0.00 0.00 54.13 54.21 1ot4 s LEU 4 Cb -0.10 -2.63 0.00 0.00 -0.00 0.00 0.00 46.19 43.46 1ot4 s LEU 4 CO -0.12 -1.80 0.54 0.52 -0.00 0.00 0.00 176.35 175.49 1ot4 n VAL 5 N -2.96 0.00 -3.71 1.48 0.31 -1.26 -4.88 118.33 107.32 1ot4 n VAL 5 Ca 0.11 1.04 -0.14 0.00 -0.01 0.00 0.00 64.34 65.34 1ot4 n VAL 5 Cb 0.60 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.46 -0.37 0.21 4.52 0.01 -1.10 -5.05 113.70 109.46 1ot4 s SER 6 Ca 0.00 0.52 -0.18 0.00 1.31 0.00 0.00 55.95 57.60 1ot4 s SER 6 Cb 0.00 0.59 0.03 0.00 0.21 0.00 0.00 66.02 66.85 1ot4 s SER 6 CO 0.00 -0.35 0.56 -0.94 0.41 0.00 0.00 173.24 172.93 1ot4 s SER 7 N -0.64 -0.27 -0.37 2.44 1.04 -1.26 0.13 113.70 114.77 1ot4 s SER 7 Ca -0.07 -0.52 0.12 0.00 0.48 0.00 0.00 55.95 55.96 1ot4 s SER 7 Cb -0.04 0.61 0.36 0.00 0.10 0.00 0.00 66.02 67.05 1ot4 s SER 7 CO 0.04 -1.11 0.77 0.41 0.98 0.00 0.00 173.24 174.33 1ot4 n THR 8 N -0.37 -0.05 0.00 2.02 -1.04 0.19 -4.91 114.28 110.12 1ot4 n THR 8 Ca -0.08 -4.27 0.00 0.00 -2.04 0.00 0.00 64.05 57.65 1ot4 n THR 8 Cb 0.62 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.25 0.00 -2.00 -2.82 -0.04 -1.10 -1.45 135.00 127.83 1ot4 n PRO 9 Ca 0.22 0.41 -0.01 0.00 -0.04 0.00 0.00 63.50 64.08 1ot4 n PRO 9 Cb 0.68 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 33.10 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 -1.73 -1.92 -1.21 0.55 0.00 -1.26 -4.48 120.51 110.46 1ot4 n ALA 10 Ca 0.00 -0.20 -0.50 0.00 0.00 0.00 0.00 53.44 52.74 1ot4 n ALA 10 Cb 0.00 -0.72 -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 -0.28 0.00 -3.92 0.00 1.02 -1.26 0.11 120.64 116.31 1ot4 n GLU 11 Ca -0.12 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.70 1ot4 n GLU 11 Cb 0.57 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.56 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 6.59 -0.39 3.55 0.62 0.00 0.18 -4.73 105.19 111.01 1ot4 n GLY 12 Ca 0.53 0.05 -0.33 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 -2.83 5.25 -0.19 1.61 0.01 0.31 -4.69 113.70 113.17 1ot4 s SER 13 Ca 0.62 -0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.64 1ot4 s SER 13 Cb -0.36 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.29 1ot4 s SER 13 CO 0.76 -2.52 0.05 -1.61 0.41 0.00 0.00 173.24 170.33 1ot4 s GLU 14 N 6.96 3.87 0.00 12.44 2.02 -1.25 0.12 118.70 142.86 1ot4 s GLU 14 Ca 0.67 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1ot4 s GLU 14 Cb -0.10 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1ot4 s GLU 14 CO 0.10 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1ot4 n GLY 15 N 3.84 3.38 3.70 -1.39 0.00 -1.15 -4.93 105.19 108.64 1ot4 n GLY 15 Ca -0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 0.17 4.61 0.00 -1.23 -0.77 121.76 122.76 1ot4 s ALA 16 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1ot4 s ALA 16 Cb 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 23.12 23.60 1ot4 s ALA 16 CO 0.00 -1.00 0.94 0.00 0.00 0.00 0.00 175.76 175.70 1ot4 s ALA 17 N -3.10 3.30 0.91 0.00 0.00 -1.26 -4.63 121.76 116.98 1ot4 s ALA 17 Ca 0.12 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 1ot4 s ALA 17 Cb -0.00 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 20.02 1ot4 s ALA 17 CO -0.00 0.10 1.14 -1.25 0.00 0.00 0.00 175.76 175.75 1ot4 s PRO 18 N -0.61 1.15 -0.03 0.00 0.04 -1.26 -5.00 135.00 129.28 1ot4 s PRO 18 Ca 0.44 0.29 -0.22 0.00 0.04 0.00 0.00 61.00 61.54 1ot4 s PRO 18 Cb -0.25 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 1ot4 s PRO 18 CO 0.31 -2.19 0.99 0.00 0.04 0.00 0.00 177.00 176.14 1ot4 h ALA 19 N -1.50 -0.33 -2.41 8.56 0.00 -1.96 -3.48 119.26 118.14 1ot4 h ALA 19 Ca -0.50 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 1ot4 h ALA 19 Cb 1.33 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 19.07 1ot4 h ALA 19 CO 0.62 -0.43 -0.05 -1.59 0.00 0.00 0.00 179.25 177.80 1ot4 s LYS 20 N -3.90 0.91 0.10 0.00 -2.85 -1.26 -4.78 119.74 107.96 1ot4 s LYS 20 Ca -0.13 -0.17 -0.21 0.00 -1.00 0.00 0.00 55.97 54.46 1ot4 s LYS 20 Cb 0.01 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 1ot4 s LYS 20 CO 0.48 -0.30 0.63 0.42 0.10 0.00 0.00 175.35 176.68 1ot4 s ILE 21 N -1.95 4.63 0.11 3.79 1.09 0.60 -4.83 121.20 124.64 1ot4 s ILE 21 Ca -0.08 1.36 0.09 0.00 -1.10 0.00 0.00 60.65 60.92 1ot4 s ILE 21 Cb -0.02 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.37 1ot4 s ILE 21 CO 0.02 0.54 -0.19 -0.70 -0.10 0.00 0.00 174.94 174.51 1ot4 s GLU 22 N -1.10 1.76 -0.03 2.79 2.12 -0.53 0.35 118.70 124.07 1ot4 s GLU 22 Ca 0.31 -1.18 -0.12 0.00 0.36 0.00 0.00 54.97 54.34 1ot4 s GLU 22 Cb -0.21 -2.09 0.02 0.00 0.26 0.00 0.00 34.13 32.11 1ot4 s GLU 22 CO 0.21 0.48 0.26 -0.51 -0.54 0.00 0.00 175.26 175.17 1ot4 s LEU 23 N -2.07 1.03 -0.02 2.70 1.43 0.16 0.55 118.68 122.46 1ot4 s LEU 23 Ca 0.17 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.32 1ot4 s LEU 23 Cb -0.10 1.06 0.01 0.00 0.03 0.00 0.00 46.19 47.18 1ot4 s LEU 23 CO 0.09 -0.35 0.16 -1.00 0.23 0.00 0.00 176.35 175.48 1ot4 s HIS 24 N -1.01 -0.04 -0.29 0.29 3.76 0.34 -0.79 115.29 117.55 1ot4 s HIS 24 Ca -0.11 0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1ot4 s HIS 24 Cb -0.05 -0.01 0.16 0.00 1.11 0.00 0.00 32.58 33.79 1ot4 s HIS 24 CO 0.03 -0.24 0.40 -0.06 -0.85 0.00 0.00 174.74 174.02 1ot4 s PHE 25 N -0.98 -0.98 -1.27 1.40 0.40 -0.89 -2.70 117.98 112.96 1ot4 s PHE 25 Ca -0.11 0.29 0.15 0.00 -0.60 0.00 0.00 56.93 56.66 1ot4 s PHE 25 Cb -0.06 -0.17 0.70 0.00 0.51 0.00 0.00 43.02 44.00 1ot4 s PHE 25 CO 0.01 -0.98 1.43 0.45 0.70 0.00 0.00 175.22 176.83 1ot4 n SER 26 N 5.35 0.00 -2.03 1.36 2.88 -1.26 -2.43 113.62 117.48 1ot4 n SER 26 Ca 0.01 0.23 -0.22 0.00 -1.33 0.00 0.00 58.87 57.56 1ot4 n SER 26 Cb 0.49 -0.36 0.11 0.00 -0.75 0.00 0.00 64.21 63.70 1ot4 n SER 26 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ot4 n GLU 27 N -1.36 2.11 -1.65 -1.46 2.13 -1.26 -4.99 120.64 114.15 1ot4 n GLU 27 Ca 0.06 -2.45 0.00 0.00 0.66 0.00 0.00 57.16 55.43 1ot4 n GLU 27 Cb 0.14 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ot4 n ASN 28 N -0.66 -8.82 -3.87 4.31 4.05 -1.02 -4.59 115.26 104.67 1ot4 n ASN 28 Ca 0.48 1.27 -0.30 0.00 0.45 0.00 0.00 54.58 56.48 1ot4 n ASN 28 Cb 1.15 -4.89 -0.14 0.00 1.23 0.00 0.00 39.78 37.13 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 -3.18 3.70 0.51 1.20 1.98 -1.26 -4.35 118.68 117.27 1ot4 s LEU 29 Ca 0.00 -2.65 -0.08 0.00 -2.89 0.00 0.00 54.13 48.51 1ot4 s LEU 29 Cb 0.00 -1.38 -0.05 0.00 0.66 0.00 0.00 46.19 45.42 1ot4 s LEU 29 CO 0.00 -0.28 0.86 -0.69 -1.89 0.00 0.00 176.35 174.35 1ot4 s VAL 30 N 0.25 4.81 -0.93 1.68 1.01 -1.23 -4.66 120.40 121.32 1ot4 s VAL 30 Ca 0.16 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1ot4 s VAL 30 Cb -0.24 -3.83 0.33 0.00 0.00 0.00 0.00 36.38 32.64 1ot4 s VAL 30 CO -0.03 -0.86 1.72 1.07 0.00 0.00 0.00 175.10 177.00 1ot4 n THR 31 N -2.17 5.29 -0.09 3.92 5.66 -1.26 -4.22 114.28 121.40 1ot4 n THR 31 Ca 0.03 -5.68 -0.15 0.00 -3.05 0.00 0.00 64.05 55.19 1ot4 n THR 31 Cb 0.55 -1.48 -0.08 0.00 -1.55 0.00 0.00 70.33 67.76 1ot4 n THR 31 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1ot4 n GLN 32 N -0.16 0.44 -0.38 1.09 -0.06 -1.26 -4.81 117.38 112.23 1ot4 n GLN 32 Ca 0.46 0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 1ot4 n GLN 32 Cb 0.28 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 25.16 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 -3.29 0.00 -3.71 3.69 3.72 -1.26 -5.11 117.46 111.50 1ot4 n PHE 33 Ca -0.34 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 56.83 1ot4 n PHE 33 Cb 0.82 0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 39.40 1ot4 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ot4 s SER 34 N -0.49 6.32 0.00 4.37 1.04 -1.26 -4.80 113.70 118.88 1ot4 s SER 34 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1ot4 s SER 34 Cb 0.00 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1ot4 s SER 34 CO 0.00 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1ot4 n GLY 35 N -1.47 -1.22 3.38 7.32 0.00 -0.33 -4.94 105.19 107.93 1ot4 n GLY 35 Ca -0.07 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1ot4 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 36 N -1.00 -1.28 -0.23 4.61 0.00 -1.26 0.51 121.76 123.11 1ot4 s ALA 36 Ca 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1ot4 s ALA 36 Cb 0.00 0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.47 1ot4 s ALA 36 CO 0.00 -0.44 0.51 0.15 0.00 0.00 0.00 175.76 175.98 1ot4 s LYS 37 N -2.05 0.45 -0.14 0.00 1.02 0.50 -4.93 119.74 114.59 1ot4 s LYS 37 Ca -0.08 1.13 -0.15 0.00 0.02 0.00 0.00 55.97 56.89 1ot4 s LYS 37 Cb -0.01 0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 37.64 1ot4 s LYS 37 CO 0.01 -0.21 0.35 -1.17 -0.92 0.00 0.00 175.35 173.41 1ot4 s LEU 38 N 2.36 4.27 -0.04 3.17 2.96 -1.26 -0.97 118.68 129.18 1ot4 s LEU 38 Ca -0.05 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1ot4 s LEU 38 Cb -0.11 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1ot4 s LEU 38 CO -0.15 0.10 -0.08 0.68 -1.32 0.00 0.00 176.35 175.57 1ot4 s VAL 39 N 0.36 0.75 -0.77 1.68 -7.23 -1.04 -0.55 120.40 113.59 1ot4 s VAL 39 Ca 0.20 -0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 59.85 1ot4 s VAL 39 Cb -0.14 -0.69 0.09 0.00 0.56 0.00 0.00 36.38 36.20 1ot4 s VAL 39 CO 0.06 0.25 1.03 -0.32 -0.31 0.00 0.00 175.10 175.82 1ot4 s MET 40 N 0.46 3.31 -0.83 4.82 1.75 0.11 -0.15 119.30 128.77 1ot4 s MET 40 Ca -0.07 -1.21 0.02 0.00 -1.25 0.00 0.00 55.69 53.18 1ot4 s MET 40 Cb -0.11 -4.53 0.33 0.00 2.84 0.00 0.00 34.83 33.36 1ot4 s MET 40 CO 0.01 -1.81 1.46 -2.37 -0.65 0.00 0.00 175.02 171.66 1ot4 n THR 41 N 5.79 4.74 -0.46 10.11 5.66 -0.98 -3.29 114.28 135.84 1ot4 n THR 41 Ca 0.08 -5.76 -0.22 0.00 -3.05 0.00 0.00 64.05 55.09 1ot4 n THR 41 Cb 0.47 -1.48 0.19 0.00 -1.55 0.00 0.00 70.33 67.96 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 n ALA 42 N -0.16 -1.98 -1.03 1.79 0.00 -0.95 -4.73 120.51 113.46 1ot4 n ALA 42 Ca 0.40 -1.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.25 1ot4 n ALA 42 Cb 0.32 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.82 0.00 -2.50 0.00 2.81 -1.26 -4.84 117.12 108.51 1ot4 n MET 43 Ca 0.07 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.56 1ot4 n MET 43 Cb 0.43 -0.87 -0.04 0.00 -0.71 0.00 0.00 33.22 32.03 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 -1.11 4.61 0.00 0.03 0.04 -1.26 -4.84 135.00 132.46 1ot4 s PRO 44 Ca 0.45 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1ot4 s PRO 44 Cb -0.36 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1ot4 s PRO 44 CO 0.62 0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.18 1ot4 n GLY 45 N 1.80 -0.45 2.90 0.56 0.00 -1.26 -4.98 105.19 103.75 1ot4 n GLY 45 Ca 0.02 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.49 3.79 -4.22 1.61 2.81 -1.26 -4.80 117.12 112.57 1ot4 n MET 46 Ca 0.00 -4.57 -0.35 0.00 -1.81 0.00 0.00 57.70 50.96 1ot4 n MET 46 Cb 0.00 -2.45 -0.06 0.00 -0.71 0.00 0.00 33.22 30.01 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 1.39 -0.91 -3.11 0.03 2.13 -1.26 -2.59 120.64 116.31 1ot4 n GLU 47 Ca 0.26 0.11 -0.11 0.00 0.66 0.00 0.00 57.16 58.09 1ot4 n GLU 47 Cb 0.36 -3.35 0.01 0.00 0.27 0.00 0.00 31.44 28.73 1ot4 n GLU 47 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1ot4 n HIS 48 N -4.71 -2.04 -3.91 4.31 1.44 -1.26 -4.94 115.22 104.10 1ot4 n HIS 48 Ca -0.26 0.87 -0.30 0.00 -2.01 0.00 0.00 57.72 56.02 1ot4 n HIS 48 Cb 0.66 -2.30 -0.13 0.00 0.12 0.00 0.00 29.99 28.34 1ot4 n HIS 48 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1ot4 s SER 49 N -1.47 4.59 0.82 4.39 0.01 -1.07 -5.08 113.70 115.90 1ot4 s SER 49 Ca 0.13 -3.36 -0.12 0.00 1.31 0.00 0.00 55.95 53.91 1ot4 s SER 49 Cb -0.02 -1.65 0.08 0.00 0.21 0.00 0.00 66.02 64.64 1ot4 s SER 49 CO 0.49 -0.18 1.11 -2.16 0.41 0.00 0.00 173.24 172.91 1ot4 s PRO 50 N -0.77 1.88 0.01 12.44 0.04 -1.26 -4.94 135.00 142.40 1ot4 s PRO 50 Ca 0.20 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 61.72 1ot4 s PRO 50 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ot4 s PRO 50 CO -0.07 -1.74 0.16 -1.64 0.04 0.00 0.00 177.00 173.75 1ot4 s MET 51 N -5.19 0.55 0.19 4.56 -1.94 -1.21 -5.00 119.30 111.26 1ot4 s MET 51 Ca 0.61 -0.46 -0.16 0.00 -1.71 0.00 0.00 55.69 53.98 1ot4 s MET 51 Cb -0.14 0.23 -0.07 0.00 2.01 0.00 0.00 34.83 36.85 1ot4 s MET 51 CO 0.54 -0.14 0.62 0.00 -0.01 0.00 0.00 175.02 176.03 1ot4 s ALA 52 N -1.71 3.51 -0.14 3.03 0.00 -1.26 0.04 121.76 125.24 1ot4 s ALA 52 Ca -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1ot4 s ALA 52 Cb -0.06 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1ot4 s ALA 52 CO 0.00 0.41 -0.10 0.54 0.00 0.00 0.00 175.76 176.61 1ot4 s VAL 53 N -1.55 3.31 -0.42 0.00 0.11 0.28 -4.83 120.40 117.30 1ot4 s VAL 53 Ca 0.41 -0.57 -0.28 0.00 -2.93 0.00 0.00 61.98 58.62 1ot4 s VAL 53 Cb -0.15 -2.41 -0.08 0.00 -1.53 0.00 0.00 36.38 32.22 1ot4 s VAL 53 CO 0.20 0.52 2.36 2.29 -3.33 0.00 0.00 175.10 177.13 1ot4 n LYS 54 N 3.48 1.27 -4.37 1.54 2.85 -1.26 -4.58 118.16 117.09 1ot4 n LYS 54 Ca -0.18 0.18 -0.20 0.00 -1.05 0.00 0.00 58.31 57.07 1ot4 n LYS 54 Cb 0.53 -3.20 -0.09 0.00 -0.65 0.00 0.00 35.03 31.61 1ot4 n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ot4 s ALA 55 N 10.49 2.12 0.06 0.58 0.00 -1.26 -2.34 121.76 131.41 1ot4 s ALA 55 Ca 1.02 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1ot4 s ALA 55 Cb -0.34 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1ot4 s ALA 55 CO 0.32 -0.46 -0.12 0.00 0.00 0.00 0.00 175.76 175.50 1ot4 s ALA 56 N -3.53 0.95 -0.18 0.00 0.00 0.41 -4.79 121.76 114.62 1ot4 s ALA 56 Ca 0.34 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1ot4 s ALA 56 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 1ot4 s ALA 56 CO 0.17 0.11 -0.11 0.14 0.00 0.00 0.00 175.76 176.06 1ot4 s VAL 57 N -1.22 2.94 0.36 0.00 -7.23 -1.26 -0.59 120.40 113.40 1ot4 s VAL 57 Ca -0.04 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 1ot4 s VAL 57 Cb -0.09 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1ot4 s VAL 57 CO 0.01 0.49 0.15 -0.44 -0.31 0.00 0.00 175.10 175.00 1ot4 s SER 58 N 0.99 2.23 0.19 4.85 0.01 0.59 -5.01 113.70 117.56 1ot4 s SER 58 Ca -0.01 -1.62 0.11 0.00 1.31 0.00 0.00 55.95 55.74 1ot4 s SER 58 Cb -0.15 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 1ot4 s SER 58 CO -0.02 -0.91 -0.24 -0.83 0.41 0.00 0.00 173.24 171.66 1ot4 s GLY 59 N -3.50 1.67 -1.21 3.44 0.00 -1.26 0.70 107.32 107.16 1ot4 s GLY 59 Ca 0.30 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 43.30 1ot4 s GLY 59 CO 0.17 -1.64 1.54 0.61 0.00 0.00 0.00 173.10 173.78 1ot4 n GLY 60 N 0.33 4.00 4.22 0.20 0.00 -0.10 -4.60 105.19 109.24 1ot4 n GLY 60 Ca -0.13 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 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 3.36 -0.43 3.64 -0.02 0.00 -1.26 -4.75 105.19 105.73 1ot4 n GLY 61 Ca 0.36 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.15 -0.14 0.32 1.61 1.11 -1.26 -5.00 116.67 110.15 1ot4 s ASP 62 Ca 0.73 0.24 0.26 0.00 0.18 0.00 0.00 52.55 53.96 1ot4 s ASP 62 Cb -0.41 0.24 0.89 0.00 1.07 0.00 0.00 42.92 44.71 1ot4 s ASP 62 CO 0.89 -0.06 1.77 1.55 1.18 0.00 0.00 175.17 180.49 1ot4 h PRO 63 N 3.10 0.00 0.00 8.23 0.13 -1.91 -2.55 132.00 139.01 1ot4 h PRO 63 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1ot4 h PRO 63 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ot4 h PRO 63 CO 0.18 0.00 -0.76 0.36 -0.23 0.00 0.00 178.00 177.56 1ot4 n LYS 64 N -2.53 0.31 -4.02 0.86 -0.00 -1.26 -4.15 118.16 107.36 1ot4 n LYS 64 Ca 0.03 0.06 -0.35 0.00 -0.00 0.00 0.00 58.31 58.06 1ot4 n LYS 64 Cb 0.36 -1.67 -0.13 0.00 -0.00 0.00 0.00 35.03 33.59 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 -3.19 3.61 0.25 0.58 2.01 -0.96 -2.10 115.64 115.84 1ot4 s THR 65 Ca 0.05 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.73 1ot4 s THR 65 Cb 0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1ot4 s THR 65 CO 0.75 0.43 -0.06 -0.04 -0.69 0.00 0.00 174.62 175.01 1ot4 s MET 66 N 1.23 2.14 -0.24 4.92 -1.94 0.03 -0.93 119.30 124.52 1ot4 s MET 66 Ca 0.03 -1.44 -0.11 0.00 -1.71 0.00 0.00 55.69 52.45 1ot4 s MET 66 Cb -0.14 -2.10 0.08 0.00 2.01 0.00 0.00 34.83 34.68 1ot4 s MET 66 CO -0.00 0.37 0.56 0.54 -0.01 0.00 0.00 175.02 176.48 1ot4 s VAL 67 N -2.22 -0.29 -0.19 -6.03 0.11 0.22 -0.67 120.40 111.32 1ot4 s VAL 67 Ca 0.30 0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.30 1ot4 s VAL 67 Cb -0.07 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1ot4 s VAL 67 CO 0.18 0.02 0.14 -0.63 -3.33 0.00 0.00 175.10 171.48 1ot4 s ILE 68 N 1.95 5.41 -0.14 7.04 1.09 0.16 -0.30 121.20 136.42 1ot4 s ILE 68 Ca -0.08 0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 59.67 1ot4 s ILE 68 Cb -0.08 -3.47 0.04 0.00 -1.06 0.00 0.00 42.46 37.88 1ot4 s ILE 68 CO -0.17 0.45 -0.01 -0.89 -0.10 0.00 0.00 174.94 174.22 1ot4 s THR 69 N 0.25 0.71 0.18 2.92 2.01 0.25 -0.29 115.64 121.67 1ot4 s THR 69 Ca 0.09 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1ot4 s THR 69 Cb -0.11 -0.95 -0.08 0.00 0.01 0.00 0.00 72.50 71.37 1ot4 s THR 69 CO -0.01 0.11 1.12 -2.16 -0.69 0.00 0.00 174.62 172.99 1ot4 s PRO 70 N 1.81 4.57 0.34 4.92 0.04 -1.26 -0.45 135.00 144.97 1ot4 s PRO 70 Ca 0.02 1.75 0.16 0.00 0.04 0.00 0.00 61.00 62.97 1ot4 s PRO 70 Cb -0.14 -3.27 0.53 0.00 0.04 0.00 0.00 34.50 31.65 1ot4 s PRO 70 CO -0.07 0.04 1.67 0.00 0.04 0.00 0.00 177.00 178.68 1ot4 h ALA 71 N 5.14 0.95 -2.31 8.56 0.00 -1.77 -3.45 119.26 126.38 1ot4 h ALA 71 Ca -0.44 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 53.52 1ot4 h ALA 71 Cb 1.21 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1ot4 h ALA 71 CO 0.73 0.58 -0.56 0.45 0.00 0.00 0.00 179.25 180.45 1ot4 s SER 72 N -6.55 5.33 -0.01 0.00 0.15 -1.24 -5.08 113.70 106.31 1ot4 s SER 72 Ca 0.00 -0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1ot4 s SER 72 Cb 0.11 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 1ot4 s SER 72 CO 0.71 -0.01 1.20 -2.16 1.20 0.00 0.00 173.24 174.19 1ot4 s PRO 73 N -3.66 4.38 -0.16 5.44 0.04 -1.26 -4.97 135.00 134.80 1ot4 s PRO 73 Ca 0.32 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1ot4 s PRO 73 Cb -0.08 -3.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1ot4 s PRO 73 CO 0.24 -0.37 1.40 -0.51 0.04 0.00 0.00 177.00 177.79 1ot4 s LEU 74 N 1.79 4.14 0.67 -3.56 1.43 -1.26 -5.01 118.68 116.89 1ot4 s LEU 74 Ca 0.57 1.75 -0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1ot4 s LEU 74 Cb -0.26 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.52 1ot4 s LEU 74 CO 0.25 -0.90 0.93 0.42 0.23 0.00 0.00 176.35 177.28 1ot4 s THR 75 N 3.93 2.28 0.48 5.49 -4.23 -1.26 -4.68 115.64 117.65 1ot4 s THR 75 Ca 0.61 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 1ot4 s THR 75 Cb -0.24 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.04 1ot4 s THR 75 CO 0.21 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.53 1ot4 n ALA 76 N -2.68 -1.48 0.00 3.99 0.00 -1.26 -4.75 120.51 114.33 1ot4 n ALA 76 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ot4 n ALA 76 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.25 0.37 3.08 0.00 0.00 0.12 -4.78 105.19 102.73 1ot4 n GLY 77 Ca 0.04 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 0.04 0.12 2.61 2.01 -1.26 0.30 115.64 119.47 1ot4 s THR 78 Ca 0.00 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1ot4 s THR 78 Cb 0.00 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1ot4 s THR 78 CO 0.00 -0.20 0.07 -0.31 -0.69 0.00 0.00 174.62 173.49 1ot4 s TYR 79 N -0.68 0.78 -0.20 4.92 1.51 -0.57 -2.24 117.35 120.87 1ot4 s TYR 79 Ca -0.08 -1.17 -0.02 0.00 -1.01 0.00 0.00 57.07 54.79 1ot4 s TYR 79 Cb -0.05 -0.43 0.06 0.00 -0.11 0.00 0.00 41.96 41.43 1ot4 s TYR 79 CO 0.01 -0.52 0.01 0.21 -1.11 0.00 0.00 175.55 174.15 1ot4 s LYS 80 N -4.03 0.94 -0.61 -0.62 2.36 0.79 -1.23 119.74 117.33 1ot4 s LYS 80 Ca 0.22 -0.57 -0.24 0.00 -2.55 0.00 0.00 55.97 52.82 1ot4 s LYS 80 Cb 0.07 -2.22 0.05 0.00 -1.05 0.00 0.00 37.83 34.68 1ot4 s LYS 80 CO 0.00 -0.62 1.01 0.08 1.55 0.00 0.00 175.35 177.37 1ot4 s VAL 81 N 1.73 4.25 -0.41 4.02 1.01 -0.29 -2.50 120.40 128.21 1ot4 s VAL 81 Ca -0.02 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 1ot4 s VAL 81 Cb -0.17 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.57 1ot4 s VAL 81 CO -0.07 -1.35 0.74 -1.81 0.00 0.00 0.00 175.10 172.61 1ot4 s ASP 82 N 3.26 6.43 0.25 3.32 1.11 -0.14 0.22 116.67 131.11 1ot4 s ASP 82 Ca 0.29 0.01 0.08 0.00 0.18 0.00 0.00 52.55 53.11 1ot4 s ASP 82 Cb -0.13 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1ot4 s ASP 82 CO 0.16 -0.80 0.07 -1.66 1.18 0.00 0.00 175.17 174.12 1ot4 s TRP 83 N 3.08 2.87 -0.08 4.23 1.48 0.17 -0.37 118.94 130.31 1ot4 s TRP 83 Ca 0.28 -0.17 -0.03 0.00 -1.06 0.00 0.00 56.10 55.13 1ot4 s TRP 83 Cb -0.13 -1.29 0.04 0.00 -1.16 0.00 0.00 33.47 30.92 1ot4 s TRP 83 CO 0.19 0.57 0.05 1.03 -4.06 0.00 0.00 176.95 174.74 1ot4 s ARG 84 N -3.62 0.12 -0.04 3.25 0.52 0.18 0.68 118.95 120.04 1ot4 s ARG 84 Ca 0.31 0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 55.69 1ot4 s ARG 84 Cb -0.07 -0.98 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 1ot4 s ARG 84 CO 0.21 -0.42 0.09 0.00 0.02 0.00 0.00 175.30 175.20 1ot4 s ALA 85 N 2.11 3.62 0.07 2.13 0.00 -0.32 -1.19 121.76 128.18 1ot4 s ALA 85 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1ot4 s ALA 85 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1ot4 s ALA 85 CO -0.05 0.67 -0.05 0.08 0.00 0.00 0.00 175.76 176.40 1ot4 s VAL 86 N -1.12 0.49 -0.34 0.00 1.01 -1.26 -0.92 120.40 118.26 1ot4 s VAL 86 Ca 0.20 -1.70 0.16 0.00 0.00 0.00 0.00 61.98 60.65 1ot4 s VAL 86 Cb -0.12 -1.37 0.43 0.00 0.00 0.00 0.00 36.38 35.32 1ot4 s VAL 86 CO 0.11 -0.81 0.94 -0.24 0.00 0.00 0.00 175.10 175.09 1ot4 n SER 87 N 0.35 1.01 0.00 3.32 2.88 -1.26 -3.56 113.62 116.35 1ot4 n SER 87 Ca -0.15 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 1ot4 n SER 87 Cb 0.60 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.02 0.00 -4.28 -3.46 2.88 -1.26 -4.88 113.62 102.60 1ot4 n SER 88 Ca 0.11 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.21 1ot4 n SER 88 Cb 0.79 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.23 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 1.95 -2.07 -2.92 -3.46 -0.08 -1.26 -4.67 116.55 104.04 1ot4 n ASP 89 Ca 0.00 0.95 -0.25 0.00 -1.51 0.00 0.00 54.79 53.98 1ot4 n ASP 89 Cb 0.00 -0.90 -0.05 0.00 2.34 0.00 0.00 41.12 42.50 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1ot4 n THR 90 N -0.52 3.09 -3.03 5.18 5.66 -1.26 -4.42 114.28 118.97 1ot4 n THR 90 Ca 0.14 -1.78 -0.07 0.00 -3.05 0.00 0.00 64.05 59.29 1ot4 n THR 90 Cb 0.32 -2.24 -0.02 0.00 -1.55 0.00 0.00 70.33 66.85 1ot4 n THR 90 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1ot4 s HIS 91 N 2.40 -1.15 0.07 1.09 5.04 -1.26 -5.13 115.29 116.35 1ot4 s HIS 91 Ca 0.54 -0.61 -0.30 0.00 -1.54 0.00 0.00 55.06 53.15 1ot4 s HIS 91 Cb 0.17 0.08 -0.06 0.00 0.04 0.00 0.00 32.58 32.81 1ot4 s HIS 91 CO -0.03 -1.16 1.16 -1.25 -2.34 0.00 0.00 174.74 171.12 1ot4 s PRO 92 N 1.09 4.46 -0.40 2.88 0.04 -1.26 -4.75 135.00 137.07 1ot4 s PRO 92 Ca 0.25 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1ot4 s PRO 92 Cb -0.03 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1ot4 s PRO 92 CO -0.07 -0.19 0.38 0.96 0.04 0.00 0.00 177.00 178.12 1ot4 s ILE 93 N 0.89 5.15 0.14 0.56 -4.36 -0.09 -4.98 121.20 118.51 1ot4 s ILE 93 Ca 0.57 -0.31 -0.21 0.00 -0.26 0.00 0.00 60.65 60.43 1ot4 s ILE 93 Cb -0.29 -3.95 -0.07 0.00 1.25 0.00 0.00 42.46 39.40 1ot4 s ILE 93 CO 0.30 -0.31 0.67 0.42 0.24 0.00 0.00 174.94 176.26 1ot4 s THR 94 N 2.00 4.57 0.12 8.37 -4.23 -1.26 -1.17 115.64 124.04 1ot4 s THR 94 Ca 0.10 1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 62.00 1ot4 s THR 94 Cb -0.17 -3.97 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 1ot4 s THR 94 CO 0.12 0.47 0.05 -0.83 -0.54 0.00 0.00 174.62 173.89 1ot4 s GLY 95 N -1.25 0.92 -0.09 3.99 0.00 0.21 -4.55 107.32 106.55 1ot4 s GLY 95 Ca 0.34 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 1ot4 s GLY 95 CO 0.22 -1.35 0.29 -1.35 0.00 0.00 0.00 173.10 170.92 1ot4 s SER 96 N -3.03 -0.28 -0.31 1.64 1.04 -1.26 0.46 113.70 111.97 1ot4 s SER 96 Ca 0.22 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1ot4 s SER 96 Cb 0.07 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.84 1ot4 s SER 96 CO 0.00 -0.18 0.08 -0.69 0.98 0.00 0.00 173.24 173.43 1ot4 s VAL 97 N -0.17 1.18 0.26 5.02 1.01 0.13 -4.93 120.40 122.91 1ot4 s VAL 97 Ca -0.03 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.21 1ot4 s VAL 97 Cb -0.03 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 1ot4 s VAL 97 CO 0.01 -0.61 0.75 0.28 0.00 0.00 0.00 175.10 175.53 1ot4 s THR 98 N 1.47 4.56 0.03 3.92 -1.32 -1.26 -1.14 115.64 121.90 1ot4 s THR 98 Ca 0.09 1.27 -0.19 0.00 -1.21 0.00 0.00 61.69 61.65 1ot4 s THR 98 Cb -0.18 -3.82 0.04 0.00 -1.51 0.00 0.00 72.50 67.03 1ot4 s THR 98 CO -0.20 0.11 0.42 0.72 -2.21 0.00 0.00 174.62 173.46 1ot4 s PHE 99 N -1.64 -0.29 0.20 9.09 -0.12 -0.37 0.49 117.98 125.35 1ot4 s PHE 99 Ca 0.46 0.30 0.06 0.00 -0.05 0.00 0.00 56.93 57.70 1ot4 s PHE 99 Cb -0.15 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 1ot4 s PHE 99 CO 0.20 -0.55 0.15 0.15 -0.05 0.00 0.00 175.22 175.12 1ot4 s LYS 100 N -2.24 2.87 -0.07 1.99 1.02 0.12 -1.51 119.74 121.91 1ot4 s LYS 100 Ca -0.07 -0.97 -0.02 0.00 0.02 0.00 0.00 55.97 54.94 1ot4 s LYS 100 Cb -0.01 -2.59 0.03 0.00 -0.52 0.00 0.00 37.83 34.74 1ot4 s LYS 100 CO -0.01 0.45 0.03 0.08 -0.92 0.00 0.00 175.35 174.98 1ot4 s VAL 101 N -1.91 0.15 -1.86 3.17 1.01 0.15 -2.93 120.40 118.17 1ot4 s VAL 101 Ca 0.32 0.19 0.15 0.00 0.00 0.00 0.00 61.98 62.64 1ot4 s VAL 101 Cb -0.09 -0.40 0.12 0.00 0.00 0.00 0.00 36.38 36.00 1ot4 s VAL 101 CO 0.24 0.16 0.97 0.29 0.00 0.00 0.00 175.10 176.76