#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 3.02 0.02 -0.41 0.04 -1.26 -5.08 135.00 131.33 1ot4 s PRO 2 Ca 0.00 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.05 1ot4 s PRO 2 Cb 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1ot4 s PRO 2 CO 0.00 -1.04 -0.05 -1.59 0.04 0.00 0.00 177.00 174.37 1ot4 s LYS 3 N -4.86 0.37 1.17 4.56 -2.85 -1.26 -4.75 119.74 112.12 1ot4 s LYS 3 Ca 0.59 -0.54 -0.17 0.00 -1.00 0.00 0.00 55.97 54.84 1ot4 s LYS 3 Cb -0.14 -0.12 0.20 0.00 -2.06 0.00 0.00 37.83 35.70 1ot4 s LYS 3 CO 0.51 0.01 0.37 1.47 0.10 0.00 0.00 175.35 177.82 1ot4 n LEU 4 N 1.89 -1.78 0.00 2.77 -0.00 -1.26 -4.95 117.00 113.67 1ot4 n LEU 4 Ca -0.21 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.49 1ot4 n LEU 4 Cb 0.56 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1ot4 n LEU 4 CO 0.22 -3.39 0.28 0.52 -0.00 0.00 0.00 177.39 175.01 1ot4 n VAL 5 N -4.76 0.00 -3.90 1.47 0.31 -1.26 -4.91 118.33 105.28 1ot4 n VAL 5 Ca 0.04 1.06 -0.11 0.00 -0.01 0.00 0.00 64.34 65.32 1ot4 n VAL 5 Cb 0.55 -2.04 -0.11 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.03 0.08 0.19 4.52 0.01 -1.24 -5.06 113.70 110.16 1ot4 s SER 6 Ca 0.00 -0.23 -0.19 0.00 1.31 0.00 0.00 55.95 56.83 1ot4 s SER 6 Cb 0.00 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.44 1ot4 s SER 6 CO 0.00 -0.28 0.56 -0.94 0.41 0.00 0.00 173.24 172.99 1ot4 s SER 7 N -1.15 -0.34 -0.40 2.44 1.04 -1.26 0.66 113.70 114.69 1ot4 s SER 7 Ca -0.12 -0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.06 1ot4 s SER 7 Cb -0.07 0.60 0.35 0.00 0.10 0.00 0.00 66.02 66.99 1ot4 s SER 7 CO 0.00 -1.05 0.77 0.41 0.98 0.00 0.00 173.24 174.35 1ot4 n THR 8 N -0.36 0.35 0.00 2.02 -1.04 0.20 -4.92 114.28 110.53 1ot4 n THR 8 Ca -0.12 -4.73 0.00 0.00 -2.04 0.00 0.00 64.05 57.16 1ot4 n THR 8 Cb 0.63 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1ot4 n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ot4 n PRO 9 N 0.19 0.00 -2.16 -2.82 -0.04 -1.10 -1.31 135.00 127.75 1ot4 n PRO 9 Ca 0.26 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 1ot4 n PRO 9 Cb 0.62 -0.69 0.01 0.00 -0.04 0.00 0.00 33.50 33.40 1ot4 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 n ALA 10 N -0.69 -1.40 -1.29 0.55 0.00 -1.26 -4.51 120.51 111.91 1ot4 n ALA 10 Ca 0.00 -0.35 -0.57 0.00 0.00 0.00 0.00 53.44 52.52 1ot4 n ALA 10 Cb 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.43 0.01 -3.68 0.00 1.02 -1.26 0.80 120.64 117.11 1ot4 n GLU 11 Ca -0.14 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.74 1ot4 n GLU 11 Cb 0.62 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 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 7.35 -0.39 3.55 0.62 0.00 0.16 -4.74 105.19 111.74 1ot4 n GLY 12 Ca 0.56 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ot4 s SER 13 N -2.67 5.42 -0.25 1.61 0.15 0.24 -4.74 113.70 113.46 1ot4 s SER 13 Ca 0.53 0.03 -0.08 0.00 0.70 0.00 0.00 55.95 57.12 1ot4 s SER 13 Cb -0.31 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.42 1ot4 s SER 13 CO 0.65 -2.32 0.10 -1.61 1.20 0.00 0.00 173.24 171.26 1ot4 s GLU 14 N 6.78 3.79 0.00 5.44 2.02 -1.26 -0.52 118.70 134.95 1ot4 s GLU 14 Ca 0.62 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1ot4 s GLU 14 Cb -0.11 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1ot4 s GLU 14 CO 0.16 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1ot4 n GLY 15 N 4.74 0.38 3.80 -1.39 0.00 -1.25 -4.97 105.19 106.50 1ot4 n GLY 15 Ca -0.16 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.63 0.09 4.61 0.00 -1.25 -0.74 121.76 122.85 1ot4 s ALA 16 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.60 1ot4 s ALA 16 Cb 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 23.12 23.73 1ot4 s ALA 16 CO 0.00 -1.05 1.26 0.00 0.00 0.00 0.00 175.76 175.96 1ot4 s ALA 17 N -2.80 3.46 0.72 0.00 0.00 -1.26 -4.60 121.76 117.28 1ot4 s ALA 17 Ca 0.16 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 1ot4 s ALA 17 Cb -0.02 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1ot4 s ALA 17 CO 0.03 -0.48 1.07 -1.25 0.00 0.00 0.00 175.76 175.13 1ot4 s PRO 18 N 0.89 2.73 0.04 0.00 0.04 -1.26 -5.00 135.00 132.44 1ot4 s PRO 18 Ca 0.60 0.88 -0.33 0.00 0.04 0.00 0.00 61.00 62.18 1ot4 s PRO 18 Cb -0.32 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.07 1ot4 s PRO 18 CO 0.31 -1.23 1.35 0.00 0.04 0.00 0.00 177.00 177.47 1ot4 h ALA 19 N -0.81 -1.18 -2.26 8.56 0.00 -1.95 -3.47 119.26 118.16 1ot4 h ALA 19 Ca -0.45 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 1ot4 h ALA 19 Cb 1.22 0.46 -0.19 0.00 0.00 0.00 0.00 17.79 19.28 1ot4 h ALA 19 CO 0.57 -1.09 -0.02 -1.59 0.00 0.00 0.00 179.25 177.12 1ot4 s LYS 20 N -5.38 0.90 0.15 0.00 -2.85 -1.26 -4.80 119.74 106.50 1ot4 s LYS 20 Ca -0.17 0.02 -0.25 0.00 -1.00 0.00 0.00 55.97 54.58 1ot4 s LYS 20 Cb 0.02 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.12 1ot4 s LYS 20 CO 0.52 -0.27 0.75 0.42 0.10 0.00 0.00 175.35 176.86 1ot4 s ILE 21 N -1.37 4.42 0.06 3.79 1.09 0.52 -4.85 121.20 124.86 1ot4 s ILE 21 Ca -0.11 1.64 0.06 0.00 -1.10 0.00 0.00 60.65 61.14 1ot4 s ILE 21 Cb -0.02 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1ot4 s ILE 21 CO 0.06 0.52 -0.12 -0.70 -0.10 0.00 0.00 174.94 174.61 1ot4 s GLU 22 N -1.12 2.18 -0.08 2.79 2.12 -0.43 0.01 118.70 124.17 1ot4 s GLU 22 Ca 0.35 -0.95 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 1ot4 s GLU 22 Cb -0.23 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 31.89 1ot4 s GLU 22 CO 0.25 0.54 0.25 -0.51 -0.54 0.00 0.00 175.26 175.25 1ot4 s LEU 23 N -1.79 1.07 0.11 2.70 1.43 0.69 0.59 118.68 123.47 1ot4 s LEU 23 Ca 0.18 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1ot4 s LEU 23 Cb -0.11 0.88 -0.04 0.00 0.03 0.00 0.00 46.19 46.95 1ot4 s LEU 23 CO 0.09 -0.14 -0.09 -1.00 0.23 0.00 0.00 176.35 175.44 1ot4 s HIS 24 N -0.11 1.06 -0.24 0.29 3.76 0.21 -1.17 115.29 119.08 1ot4 s HIS 24 Ca -0.02 -0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 54.07 1ot4 s HIS 24 Cb -0.03 -0.57 0.11 0.00 1.11 0.00 0.00 32.58 33.20 1ot4 s HIS 24 CO 0.01 -0.02 0.52 -0.06 -0.85 0.00 0.00 174.74 174.34 1ot4 s PHE 25 N -2.87 -1.02 -1.54 1.40 0.08 -1.10 -3.62 117.98 109.31 1ot4 s PHE 25 Ca 0.09 1.86 0.21 0.00 0.12 0.00 0.00 56.93 59.20 1ot4 s PHE 25 Cb -0.00 0.51 1.09 0.00 -0.57 0.00 0.00 43.02 44.05 1ot4 s PHE 25 CO -0.01 -0.55 1.65 0.43 -0.10 0.00 0.00 175.22 176.64 1ot4 n SER 26 N 5.36 0.00 0.00 1.36 7.64 -1.26 -4.36 113.62 122.35 1ot4 n SER 26 Ca -0.11 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1ot4 n SER 26 Cb 0.50 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ot4 n GLU 27 N -1.23 0.00 0.04 1.43 1.02 -1.26 -5.07 120.64 115.57 1ot4 n GLU 27 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1ot4 n GLU 27 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ot4 n ASN 28 N 0.00 0.77 -3.31 1.62 5.15 -1.26 -4.84 115.26 113.39 1ot4 n ASN 28 Ca 0.00 0.13 -0.15 0.00 -0.60 0.00 0.00 54.58 53.97 1ot4 n ASN 28 Cb 0.00 -0.21 0.01 0.00 -0.53 0.00 0.00 39.78 39.06 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 -3.37 -3.21 0.00 1.20 -0.00 -1.26 -4.24 117.00 106.12 1ot4 n LEU 29 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1ot4 n LEU 29 Cb 0.11 -1.59 0.00 0.00 -0.00 0.00 0.00 43.42 41.93 1ot4 n LEU 29 CO 0.00 -0.91 0.00 0.52 -0.00 0.00 0.00 177.39 177.00 1ot4 n VAL 30 N 0.75 0.00 -4.10 1.47 0.31 -1.26 -4.70 118.33 110.80 1ot4 n VAL 30 Ca -0.03 0.21 -0.34 0.00 -0.01 0.00 0.00 64.34 64.17 1ot4 n VAL 30 Cb 0.57 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.55 1ot4 n VAL 30 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ot4 n THR 31 N 0.00 -0.50 0.00 2.52 5.66 -1.26 -4.58 114.28 116.12 1ot4 n THR 31 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ot4 n THR 31 Cb 0.00 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 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 -4.00 0.00 -0.75 1.09 -0.06 -1.26 -5.04 117.38 107.36 1ot4 n GLN 32 Ca 0.08 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.04 1ot4 n GLN 32 Cb 0.48 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.62 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 -1.41 0.00 -3.02 3.69 3.72 -1.26 -5.14 117.46 114.04 1ot4 n PHE 33 Ca 0.00 -0.28 -0.31 0.00 -0.05 0.00 0.00 57.45 56.81 1ot4 n PHE 33 Cb 0.00 0.39 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 1ot4 n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ot4 s SER 34 N -0.56 6.57 0.00 4.37 0.15 -1.26 -4.94 113.70 118.03 1ot4 s SER 34 Ca 0.00 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1ot4 s SER 34 Cb 0.00 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1ot4 s SER 34 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1ot4 n GLY 35 N -0.97 -0.79 3.36 9.45 0.00 -0.30 -4.94 105.19 111.00 1ot4 n GLY 35 Ca 0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.06 -0.23 4.61 0.00 -1.26 0.30 121.76 123.13 1ot4 s ALA 36 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1ot4 s ALA 36 Cb 0.00 0.75 0.07 0.00 0.00 0.00 0.00 23.12 23.95 1ot4 s ALA 36 CO 0.00 -0.69 0.55 0.15 0.00 0.00 0.00 175.76 175.77 1ot4 s LYS 37 N -3.80 0.54 0.03 0.00 -0.14 0.14 -4.90 119.74 111.61 1ot4 s LYS 37 Ca 0.03 1.02 -0.19 0.00 -1.36 0.00 0.00 55.97 55.47 1ot4 s LYS 37 Cb 0.01 0.09 -0.06 0.00 -1.68 0.00 0.00 37.83 36.19 1ot4 s LYS 37 CO -0.11 -0.16 0.55 -1.17 -0.76 0.00 0.00 175.35 173.70 1ot4 s LEU 38 N 1.60 4.48 -0.02 3.17 2.96 -1.26 -1.24 118.68 128.36 1ot4 s LEU 38 Ca -0.09 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1ot4 s LEU 38 Cb -0.07 -2.85 0.01 0.00 0.50 0.00 0.00 46.19 43.78 1ot4 s LEU 38 CO -0.16 0.22 -0.03 0.68 -1.32 0.00 0.00 176.35 175.74 1ot4 s VAL 39 N -0.76 0.32 -0.89 1.68 -7.23 -1.07 -0.58 120.40 111.87 1ot4 s VAL 39 Ca 0.29 -0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 1ot4 s VAL 39 Cb -0.19 -0.34 0.09 0.00 0.56 0.00 0.00 36.38 36.51 1ot4 s VAL 39 CO 0.17 0.14 1.19 -0.32 -0.31 0.00 0.00 175.10 175.97 1ot4 s MET 40 N 0.49 3.48 -0.62 4.82 1.75 0.44 -1.43 119.30 128.25 1ot4 s MET 40 Ca -0.05 -1.33 0.04 0.00 -1.25 0.00 0.00 55.69 53.10 1ot4 s MET 40 Cb -0.09 -4.87 0.34 0.00 2.84 0.00 0.00 34.83 33.06 1ot4 s MET 40 CO -0.01 -1.92 1.05 -2.37 -0.65 0.00 0.00 175.02 171.12 1ot4 n THR 41 N 6.00 3.33 -0.72 10.11 5.66 -1.13 -2.83 114.28 134.70 1ot4 n THR 41 Ca 0.20 -5.58 -0.30 0.00 -3.05 0.00 0.00 64.05 55.33 1ot4 n THR 41 Cb 0.49 -1.40 0.25 0.00 -1.55 0.00 0.00 70.33 68.12 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 s ALA 42 N -3.57 -0.11 -0.24 1.79 0.00 0.60 -4.41 121.76 115.82 1ot4 s ALA 42 Ca 0.48 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 1ot4 s ALA 42 Cb 0.28 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.42 1ot4 s ALA 42 CO -0.14 -3.94 0.36 -0.12 0.00 0.00 0.00 175.76 171.91 1ot4 n MET 43 N -5.06 -1.15 -1.61 0.00 0.00 -1.26 -4.81 117.12 103.23 1ot4 n MET 43 Ca 0.10 1.11 -0.31 0.00 -0.00 0.00 0.00 57.70 58.59 1ot4 n MET 43 Cb 0.58 -1.51 0.05 0.00 0.00 0.00 0.00 33.22 32.34 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 -1.77 2.97 0.00 2.12 0.04 -1.26 -3.90 135.00 133.20 1ot4 s PRO 44 Ca 0.21 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1ot4 s PRO 44 Cb -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ot4 s PRO 44 CO 0.47 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1ot4 n GLY 45 N -1.91 1.31 3.48 0.56 0.00 -1.26 -4.83 105.19 102.55 1ot4 n GLY 45 Ca 0.08 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 3.12 -0.38 1.61 -1.94 -1.25 -4.54 119.30 115.92 1ot4 s MET 46 Ca 0.00 -0.73 -0.08 0.00 -1.71 0.00 0.00 55.69 53.17 1ot4 s MET 46 Cb 0.00 -3.98 0.01 0.00 2.01 0.00 0.00 34.83 32.87 1ot4 s MET 46 CO 0.00 -0.91 0.46 -1.91 -0.01 0.00 0.00 175.02 172.65 1ot4 n GLU 47 N 5.72 -1.48 -2.86 2.03 2.13 -1.26 -4.80 120.64 120.12 1ot4 n GLU 47 Ca -0.07 1.53 -0.44 0.00 0.66 0.00 0.00 57.16 58.85 1ot4 n GLU 47 Cb 0.47 -4.54 -0.01 0.00 0.27 0.00 0.00 31.44 27.63 1ot4 n GLU 47 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1ot4 s HIS 48 N -2.43 3.18 -0.56 4.31 -3.43 -1.26 -4.85 115.29 110.26 1ot4 s HIS 48 Ca 0.12 -1.69 0.00 0.00 -0.80 0.00 0.00 55.06 52.70 1ot4 s HIS 48 Cb -0.03 -4.39 0.14 0.00 -1.43 0.00 0.00 32.58 26.86 1ot4 s HIS 48 CO 0.55 -1.53 0.33 0.45 -2.00 0.00 0.00 174.74 172.54 1ot4 s SER 49 N 3.49 4.84 -0.45 7.38 0.15 -1.26 -5.06 113.70 122.80 1ot4 s SER 49 Ca 0.41 -2.84 -0.28 0.00 0.70 0.00 0.00 55.95 53.93 1ot4 s SER 49 Cb -0.02 -1.76 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 1ot4 s SER 49 CO -0.03 -0.32 1.44 -2.16 1.20 0.00 0.00 173.24 173.36 1ot4 s PRO 50 N -0.04 3.47 -0.29 5.44 0.04 -1.26 -4.41 135.00 137.95 1ot4 s PRO 50 Ca 0.16 0.82 -0.08 0.00 0.04 0.00 0.00 61.00 61.94 1ot4 s PRO 50 Cb -0.23 -4.07 -0.00 0.00 0.04 0.00 0.00 34.50 30.24 1ot4 s PRO 50 CO -0.02 -1.71 0.10 -1.64 0.04 0.00 0.00 177.00 173.77 1ot4 s MET 51 N 5.17 3.29 0.56 4.56 -1.94 -1.13 -4.86 119.30 124.96 1ot4 s MET 51 Ca 0.60 -0.73 -0.21 0.00 -1.71 0.00 0.00 55.69 53.64 1ot4 s MET 51 Cb -0.13 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 1ot4 s MET 51 CO 0.30 -0.38 1.29 0.00 -0.01 0.00 0.00 175.02 176.23 1ot4 s ALA 52 N 1.56 2.70 0.11 3.03 0.00 -1.26 0.17 121.76 128.06 1ot4 s ALA 52 Ca 0.04 1.19 0.10 0.00 0.00 0.00 0.00 51.96 53.29 1ot4 s ALA 52 Cb -0.17 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1ot4 s ALA 52 CO 0.04 -1.27 -0.23 0.54 0.00 0.00 0.00 175.76 174.83 1ot4 s VAL 53 N -1.41 2.47 -0.48 0.00 0.11 0.26 -4.79 120.40 116.55 1ot4 s VAL 53 Ca 0.74 -1.59 -0.28 0.00 -2.93 0.00 0.00 61.98 57.92 1ot4 s VAL 53 Cb -0.36 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 1ot4 s VAL 53 CO 0.41 0.15 1.77 -1.59 -3.33 0.00 0.00 175.10 172.51 1ot4 s LYS 54 N -1.93 3.03 0.27 1.54 -2.85 -1.26 -4.62 119.74 113.92 1ot4 s LYS 54 Ca 0.15 0.95 0.03 0.00 -1.00 0.00 0.00 55.97 56.10 1ot4 s LYS 54 Cb -0.10 -4.26 -0.04 0.00 -2.06 0.00 0.00 37.83 31.37 1ot4 s LYS 54 CO 0.07 -2.24 0.18 0.00 0.10 0.00 0.00 175.35 173.46 1ot4 s ALA 55 N 7.72 1.63 -0.01 0.59 0.00 -1.26 -3.42 121.76 127.00 1ot4 s ALA 55 Ca 0.71 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1ot4 s ALA 55 Cb -0.16 1.34 -0.00 0.00 0.00 0.00 0.00 23.12 24.29 1ot4 s ALA 55 CO 0.27 -0.59 -0.08 0.00 0.00 0.00 0.00 175.76 175.37 1ot4 s ALA 56 N -3.77 0.66 -0.25 0.00 0.00 -0.99 -4.85 121.76 112.56 1ot4 s ALA 56 Ca 0.39 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 1ot4 s ALA 56 Cb 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1ot4 s ALA 56 CO 0.18 0.15 0.18 0.08 0.00 0.00 0.00 175.76 176.36 1ot4 s VAL 57 N -0.10 5.34 0.46 0.00 1.01 -1.26 -1.25 120.40 124.60 1ot4 s VAL 57 Ca 0.02 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1ot4 s VAL 57 Cb -0.04 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1ot4 s VAL 57 CO -0.00 0.31 0.29 -0.44 0.00 0.00 0.00 175.10 175.26 1ot4 s SER 58 N 1.26 4.62 -0.12 3.32 0.01 0.94 -4.96 113.70 118.78 1ot4 s SER 58 Ca 0.08 -1.08 -0.11 0.00 1.31 0.00 0.00 55.95 56.15 1ot4 s SER 58 Cb -0.14 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 65.94 1ot4 s SER 58 CO 0.07 -0.76 0.32 -0.83 0.41 0.00 0.00 173.24 172.45 1ot4 s GLY 59 N -4.07 -0.24 0.00 3.44 0.00 -1.26 -0.20 107.32 104.99 1ot4 s GLY 59 Ca 0.39 0.90 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1ot4 s GLY 59 CO 0.22 0.79 0.00 0.61 0.00 0.00 0.00 173.10 174.73 1ot4 n GLY 60 N 2.95 -2.16 0.14 0.20 0.00 -0.56 -4.88 105.19 100.88 1ot4 n GLY 60 Ca -0.13 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 1ot4 n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ot4 h GLY 61 N 0.00 0.41 -3.26 -0.02 0.00 -2.02 -3.43 103.07 94.74 1ot4 h GLY 61 Ca 0.00 -0.12 -0.51 0.00 0.00 0.00 0.00 47.33 46.71 1ot4 h GLY 61 CO 0.00 0.10 -0.25 0.99 0.00 0.00 0.00 176.54 177.38 1ot4 s ASP 62 N -5.41 6.37 0.00 0.19 1.11 -1.26 -4.97 116.67 112.70 1ot4 s ASP 62 Ca -0.13 0.48 0.24 0.00 0.18 0.00 0.00 52.55 53.31 1ot4 s ASP 62 Cb 0.10 -2.04 1.34 0.00 1.07 0.00 0.00 42.92 43.39 1ot4 s ASP 62 CO 0.71 -0.16 1.78 -0.81 1.18 0.00 0.00 175.17 177.87 1ot4 n PRO 63 N -1.10 0.61 0.05 8.23 -0.04 -1.26 -2.35 135.00 139.13 1ot4 n PRO 63 Ca -0.04 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1ot4 n PRO 63 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1ot4 n PRO 63 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ot4 h LYS 64 N 0.00 0.00 -5.68 0.54 2.10 -1.93 -3.36 116.57 108.23 1ot4 h LYS 64 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1ot4 h LYS 64 Cb 0.07 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.31 1ot4 h LYS 64 CO 0.00 0.57 -0.05 0.99 -2.00 0.00 0.00 179.45 178.96 1ot4 s THR 65 N -2.79 5.12 0.09 0.07 2.01 -0.99 -2.71 115.64 116.44 1ot4 s THR 65 Ca -0.01 1.03 0.08 0.00 0.31 0.00 0.00 61.69 63.10 1ot4 s THR 65 Cb 0.09 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1ot4 s THR 65 CO 0.80 0.24 -0.21 -0.04 -0.69 0.00 0.00 174.62 174.72 1ot4 s MET 66 N 1.19 1.14 -0.15 4.92 -1.94 -0.32 -1.49 119.30 122.65 1ot4 s MET 66 Ca 0.27 -1.12 -0.04 0.00 -1.71 0.00 0.00 55.69 53.08 1ot4 s MET 66 Cb -0.16 -1.38 0.06 0.00 2.01 0.00 0.00 34.83 35.37 1ot4 s MET 66 CO 0.11 0.32 0.14 0.14 -0.01 0.00 0.00 175.02 175.72 1ot4 s VAL 67 N -1.12 -0.20 -0.23 -6.03 -7.23 0.73 -0.22 120.40 106.09 1ot4 s VAL 67 Ca 0.06 0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 60.02 1ot4 s VAL 67 Cb -0.10 -0.50 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 1ot4 s VAL 67 CO 0.04 -0.11 0.84 -0.63 -0.31 0.00 0.00 175.10 174.92 1ot4 s ILE 68 N 2.23 4.84 -0.29 -0.62 1.09 0.10 -0.04 121.20 128.52 1ot4 s ILE 68 Ca 0.04 1.60 -0.02 0.00 -1.10 0.00 0.00 60.65 61.17 1ot4 s ILE 68 Cb -0.15 -4.13 0.09 0.00 -1.06 0.00 0.00 42.46 37.22 1ot4 s ILE 68 CO -0.09 -0.06 0.09 -0.89 -0.10 0.00 0.00 174.94 173.89 1ot4 s THR 69 N 2.75 0.66 0.19 2.92 2.01 -0.38 -0.36 115.64 123.44 1ot4 s THR 69 Ca 0.36 -1.14 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1ot4 s THR 69 Cb -0.15 -1.44 -0.08 0.00 0.01 0.00 0.00 72.50 70.84 1ot4 s THR 69 CO 0.08 -0.60 1.12 -2.16 -0.69 0.00 0.00 174.62 172.37 1ot4 s PRO 70 N 1.74 4.58 0.24 4.92 0.04 -1.26 -2.36 135.00 142.90 1ot4 s PRO 70 Ca 0.08 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 1ot4 s PRO 70 Cb -0.17 -3.26 0.25 0.00 0.04 0.00 0.00 34.50 31.37 1ot4 s PRO 70 CO -0.24 0.07 1.79 0.00 0.04 0.00 0.00 177.00 178.66 1ot4 h ALA 71 N 4.94 1.11 -2.67 8.56 0.00 -1.88 -3.42 119.26 125.90 1ot4 h ALA 71 Ca -0.45 -0.20 -0.60 0.00 0.00 0.00 0.00 54.91 53.66 1ot4 h ALA 71 Cb 1.21 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1ot4 h ALA 71 CO 0.72 0.62 -0.24 0.45 0.00 0.00 0.00 179.25 180.80 1ot4 s SER 72 N -6.46 6.67 -0.00 0.00 0.15 -1.25 -5.05 113.70 107.75 1ot4 s SER 72 Ca -0.11 0.82 -0.30 0.00 0.70 0.00 0.00 55.95 57.05 1ot4 s SER 72 Cb 0.16 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1ot4 s SER 72 CO 0.83 0.20 1.20 -2.16 1.20 0.00 0.00 173.24 174.50 1ot4 s PRO 73 N -1.75 4.39 -0.18 5.44 0.04 -1.26 -4.96 135.00 136.72 1ot4 s PRO 73 Ca 0.31 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1ot4 s PRO 73 Cb -0.14 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1ot4 s PRO 73 CO 0.17 -0.35 1.65 -0.51 0.04 0.00 0.00 177.00 178.00 1ot4 s LEU 74 N 1.68 3.98 0.77 -3.56 1.43 -1.26 -4.99 118.68 116.73 1ot4 s LEU 74 Ca 0.57 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 55.39 1ot4 s LEU 74 Cb -0.27 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.54 1ot4 s LEU 74 CO 0.26 -1.20 1.08 0.42 0.23 0.00 0.00 176.35 177.13 1ot4 s THR 75 N 5.04 2.18 1.01 5.49 -4.23 -1.26 -4.42 115.64 119.45 1ot4 s THR 75 Ca 0.73 -0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.74 1ot4 s THR 75 Cb -0.27 -2.87 -0.08 0.00 1.34 0.00 0.00 72.50 70.62 1ot4 s THR 75 CO 0.29 0.00 -0.61 0.00 -0.54 0.00 0.00 174.62 173.76 1ot4 n ALA 76 N -3.09 -4.75 0.00 3.99 0.00 -1.26 -4.78 120.51 110.63 1ot4 n ALA 76 Ca 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1ot4 n ALA 76 Cb 0.60 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 2.81 0.32 3.07 0.00 0.00 0.15 -4.90 105.19 106.63 1ot4 n GLY 77 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.03 0.25 2.61 2.01 -1.26 0.27 115.64 119.48 1ot4 s THR 78 Ca 0.00 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1ot4 s THR 78 Cb 0.00 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 1ot4 s THR 78 CO 0.00 0.05 0.11 -0.31 -0.69 0.00 0.00 174.62 173.78 1ot4 s TYR 79 N 1.00 1.43 -0.04 4.92 1.51 -0.49 -0.29 117.35 125.40 1ot4 s TYR 79 Ca -0.07 -1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 54.71 1ot4 s TYR 79 Cb -0.08 -0.80 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1ot4 s TYR 79 CO -0.07 -0.44 0.05 -1.59 -1.11 0.00 0.00 175.55 172.40 1ot4 s LYS 80 N -4.05 -0.03 -0.46 -0.62 -2.85 -0.51 -0.52 119.74 110.69 1ot4 s LYS 80 Ca 0.38 0.35 -0.24 0.00 -1.00 0.00 0.00 55.97 55.46 1ot4 s LYS 80 Cb 0.07 -0.52 0.03 0.00 -2.06 0.00 0.00 37.83 35.35 1ot4 s LYS 80 CO 0.14 -0.32 0.87 0.08 0.10 0.00 0.00 175.35 176.22 1ot4 s VAL 81 N 2.09 4.54 -0.23 1.79 1.01 0.11 -2.60 120.40 127.11 1ot4 s VAL 81 Ca 0.04 0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 1ot4 s VAL 81 Cb -0.12 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1ot4 s VAL 81 CO -0.03 -0.81 0.54 -1.81 0.00 0.00 0.00 175.10 172.98 1ot4 s ASP 82 N 2.26 6.52 0.25 3.32 1.11 -0.37 0.41 116.67 130.18 1ot4 s ASP 82 Ca 0.34 0.63 0.11 0.00 0.18 0.00 0.00 52.55 53.81 1ot4 s ASP 82 Cb -0.11 -2.30 -0.05 0.00 1.07 0.00 0.00 42.92 41.54 1ot4 s ASP 82 CO 0.24 -0.25 -0.18 -1.66 1.18 0.00 0.00 175.17 174.51 1ot4 s TRP 83 N 2.01 2.38 -0.13 4.23 1.48 0.49 0.27 118.94 129.67 1ot4 s TRP 83 Ca 0.23 -0.31 -0.04 0.00 -1.06 0.00 0.00 56.10 54.92 1ot4 s TRP 83 Cb -0.16 -1.08 0.06 0.00 -1.16 0.00 0.00 33.47 31.14 1ot4 s TRP 83 CO 0.09 0.63 0.17 1.03 -4.06 0.00 0.00 176.95 174.82 1ot4 s ARG 84 N -3.25 0.08 0.04 3.25 0.52 0.15 -1.04 118.95 118.70 1ot4 s ARG 84 Ca 0.27 0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.90 1ot4 s ARG 84 Cb -0.06 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 1ot4 s ARG 84 CO 0.14 -0.44 0.08 0.00 0.02 0.00 0.00 175.30 175.10 1ot4 s ALA 85 N 2.29 3.56 -0.15 2.13 0.00 0.26 -1.15 121.76 128.69 1ot4 s ALA 85 Ca 0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1ot4 s ALA 85 Cb -0.13 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.57 1ot4 s ALA 85 CO -0.08 0.72 0.24 0.08 0.00 0.00 0.00 175.76 176.72 1ot4 s VAL 86 N -1.29 -0.38 0.02 0.00 1.01 -1.26 -1.05 120.40 117.44 1ot4 s VAL 86 Ca 0.26 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.18 1ot4 s VAL 86 Cb -0.12 -0.52 -0.12 0.00 0.00 0.00 0.00 36.38 35.63 1ot4 s VAL 86 CO 0.18 0.01 1.07 0.28 0.00 0.00 0.00 175.10 176.64 1ot4 h SER 87 N 8.30 -0.64 0.00 3.32 0.02 -1.88 -3.41 113.55 119.27 1ot4 h SER 87 Ca -0.15 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1ot4 h SER 87 Cb 1.13 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1ot4 h SER 87 CO 0.19 -0.37 0.00 -1.20 -1.14 0.00 0.00 176.83 174.31 1ot4 n SER 88 N -4.52 0.00 -3.63 3.07 7.64 -1.26 -4.82 113.62 110.10 1ot4 n SER 88 Ca -0.09 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.51 1ot4 n SER 88 Cb 0.30 0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1ot4 n SER 88 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ot4 n ASP 89 N -1.43 2.03 -3.69 6.43 8.00 -1.26 -5.06 116.55 121.57 1ot4 n ASP 89 Ca 0.00 -3.00 -0.04 0.00 0.71 0.00 0.00 54.79 52.46 1ot4 n ASP 89 Cb 0.00 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.40 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ot4 s THR 90 N -1.24 0.00 0.59 -3.53 -1.32 -1.26 -5.15 115.64 103.73 1ot4 s THR 90 Ca 0.30 -0.49 -0.18 0.00 -1.21 0.00 0.00 61.69 60.11 1ot4 s THR 90 Cb 0.03 -1.77 -0.12 0.00 -1.51 0.00 0.00 72.50 69.13 1ot4 s THR 90 CO -0.15 0.00 0.08 0.00 -2.21 0.00 0.00 174.62 172.34 1ot4 n HIS 91 N -0.42 -2.22 -2.53 9.09 1.44 -1.26 -4.86 115.22 114.46 1ot4 n HIS 91 Ca -0.07 0.40 -0.36 0.00 -2.01 0.00 0.00 57.72 55.68 1ot4 n HIS 91 Cb 0.61 -1.77 -0.04 0.00 0.12 0.00 0.00 29.99 28.91 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1ot4 s PRO 92 N -1.60 4.14 -0.94 -1.40 0.04 -1.26 -4.81 135.00 129.16 1ot4 s PRO 92 Ca 0.60 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 63.13 1ot4 s PRO 92 Cb -0.44 -2.52 0.26 0.00 0.04 0.00 0.00 34.50 31.84 1ot4 s PRO 92 CO 0.63 -0.17 1.02 -0.89 0.04 0.00 0.00 177.00 177.64 1ot4 n ILE 93 N -0.12 3.79 -3.07 0.56 -0.00 -0.22 -4.97 119.36 115.34 1ot4 n ILE 93 Ca 0.05 -5.40 -0.37 0.00 -0.00 0.00 0.00 62.75 57.03 1ot4 n ILE 93 Cb 0.50 -2.29 -0.06 0.00 -0.00 0.00 0.00 39.64 37.79 1ot4 n ILE 93 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1ot4 s THR 94 N -1.93 4.51 -0.14 1.39 -4.23 -1.26 -0.58 115.64 113.39 1ot4 s THR 94 Ca 0.31 1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 61.95 1ot4 s THR 94 Cb -0.01 -3.96 0.12 0.00 1.34 0.00 0.00 72.50 69.99 1ot4 s THR 94 CO -0.04 0.34 0.95 -0.83 -0.54 0.00 0.00 174.62 174.49 1ot4 s GLY 95 N -1.44 -0.32 0.06 3.99 0.00 -0.20 -4.80 107.32 104.60 1ot4 s GLY 95 Ca 0.40 1.92 0.02 0.00 0.00 0.00 0.00 44.72 47.05 1ot4 s GLY 95 CO 0.23 1.03 -0.08 -0.56 0.00 0.00 0.00 173.10 173.72 1ot4 s SER 96 N -1.11 0.93 -0.23 1.64 0.01 -1.26 0.18 113.70 113.87 1ot4 s SER 96 Ca -0.03 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1ot4 s SER 96 Cb -0.00 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.33 1ot4 s SER 96 CO 0.03 -0.27 -0.10 -0.69 0.41 0.00 0.00 173.24 172.62 1ot4 s VAL 97 N -1.94 1.83 0.01 3.43 1.01 0.17 -4.91 120.40 120.00 1ot4 s VAL 97 Ca -0.04 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 60.46 1ot4 s VAL 97 Cb -0.06 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 1ot4 s VAL 97 CO -0.01 0.05 0.55 0.28 0.00 0.00 0.00 175.10 175.97 1ot4 s THR 98 N 1.28 4.89 0.04 3.92 -1.32 -1.26 0.06 115.64 123.25 1ot4 s THR 98 Ca -0.05 1.16 -0.11 0.00 -1.21 0.00 0.00 61.69 61.48 1ot4 s THR 98 Cb -0.18 -3.88 0.01 0.00 -1.51 0.00 0.00 72.50 66.94 1ot4 s THR 98 CO -0.07 0.47 0.23 0.72 -2.21 0.00 0.00 174.62 173.77 1ot4 s PHE 99 N -0.52 -0.00 0.35 9.09 -0.12 0.32 0.40 117.98 127.49 1ot4 s PHE 99 Ca 0.29 -0.18 0.07 0.00 -0.05 0.00 0.00 56.93 57.06 1ot4 s PHE 99 Cb -0.18 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1ot4 s PHE 99 CO 0.17 -0.45 0.32 0.15 -0.05 0.00 0.00 175.22 175.36 1ot4 s LYS 100 N -2.51 2.70 -0.19 1.99 1.02 0.33 -1.39 119.74 121.68 1ot4 s LYS 100 Ca -0.05 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 54.57 1ot4 s LYS 100 Cb -0.01 -2.48 0.10 0.00 -0.52 0.00 0.00 37.83 34.92 1ot4 s LYS 100 CO -0.03 0.03 0.29 0.08 -0.92 0.00 0.00 175.35 174.80 1ot4 s VAL 101 N -2.33 -0.45 -2.94 3.17 1.01 0.14 -3.74 120.40 115.27 1ot4 s VAL 101 Ca 0.43 0.02 0.23 0.00 0.00 0.00 0.00 61.98 62.66 1ot4 s VAL 101 Cb -0.06 -0.65 0.19 0.00 0.00 0.00 0.00 36.38 35.86 1ot4 s VAL 101 CO 0.27 -0.08 1.24 0.29 0.00 0.00 0.00 175.10 176.82