#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 0.31 -0.41 0.04 -1.26 -4.97 135.00 131.73 1ot4 s PRO 2 Ca 0.00 0.30 0.09 0.00 0.04 0.00 0.00 61.00 61.44 1ot4 s PRO 2 Cb 0.00 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 1ot4 s PRO 2 CO 0.00 -2.29 -0.01 0.21 0.04 0.00 0.00 177.00 174.95 1ot4 s LYS 3 N 6.14 2.11 -0.22 4.56 2.36 -1.26 -4.88 119.74 128.56 1ot4 s LYS 3 Ca 0.53 -1.64 -0.28 0.00 -2.55 0.00 0.00 55.97 52.02 1ot4 s LYS 3 Cb -0.11 -2.00 -0.05 0.00 -1.05 0.00 0.00 37.83 34.62 1ot4 s LYS 3 CO 0.20 0.23 2.22 -0.11 1.55 0.00 0.00 175.35 179.44 1ot4 n LEU 4 N -0.91 3.22 0.00 5.43 -0.00 -1.26 -4.88 117.00 118.61 1ot4 n LEU 4 Ca -0.05 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1ot4 n LEU 4 Cb 0.61 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 1ot4 n LEU 4 CO 0.42 -0.68 0.43 0.52 -0.00 0.00 0.00 177.39 178.08 1ot4 n VAL 5 N 7.68 0.00 -3.94 1.96 0.31 -1.25 -4.88 118.33 118.21 1ot4 n VAL 5 Ca 0.30 1.35 -0.10 0.00 -0.01 0.00 0.00 64.34 65.89 1ot4 n VAL 5 Cb 0.44 -2.27 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 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 -2.15 0.18 0.23 4.52 0.01 -1.23 -5.06 113.70 110.20 1ot4 s SER 6 Ca 0.00 -0.44 -0.19 0.00 1.31 0.00 0.00 55.95 56.63 1ot4 s SER 6 Cb 0.00 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.41 1ot4 s SER 6 CO 0.00 -0.37 0.61 -0.94 0.41 0.00 0.00 173.24 172.95 1ot4 s SER 7 N -1.62 -0.28 -0.40 2.44 1.04 -1.26 0.69 113.70 114.31 1ot4 s SER 7 Ca -0.13 -0.53 0.11 0.00 0.48 0.00 0.00 55.95 55.89 1ot4 s SER 7 Cb -0.07 0.65 0.36 0.00 0.10 0.00 0.00 66.02 67.06 1ot4 s SER 7 CO -0.01 -1.18 0.80 0.41 0.98 0.00 0.00 173.24 174.24 1ot4 n THR 8 N -0.40 0.52 0.00 2.02 -1.04 0.98 -4.92 114.28 111.44 1ot4 n THR 8 Ca -0.07 -4.58 -0.00 0.00 -2.04 0.00 0.00 64.05 57.36 1ot4 n THR 8 Cb 0.61 -0.35 -0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1ot4 n THR 8 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1ot4 h PRO 9 N 2.99 -0.00 0.00 -2.82 0.13 -1.88 -1.44 132.00 128.98 1ot4 h PRO 9 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ot4 h PRO 9 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1ot4 h PRO 9 CO 0.56 -0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.33 1ot4 n ALA 10 N -2.00 0.00 -1.33 -0.56 0.00 -1.26 -4.60 120.51 110.75 1ot4 n ALA 10 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.86 1ot4 n ALA 10 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 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 0.31 -3.70 0.00 1.02 -1.26 0.15 120.64 117.16 1ot4 n GLU 11 Ca 0.00 0.09 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 1ot4 n GLU 11 Cb 0.00 -1.77 -0.05 0.00 -0.02 0.00 0.00 31.44 29.60 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 7.02 -0.37 3.55 0.62 0.00 0.18 -4.76 105.19 111.44 1ot4 n GLY 12 Ca 0.50 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.67 5.76 -0.29 1.61 0.01 0.12 -4.77 113.70 113.47 1ot4 s SER 13 Ca 0.55 0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.75 1ot4 s SER 13 Cb -0.32 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.35 1ot4 s SER 13 CO 0.68 -2.06 0.12 -1.61 0.41 0.00 0.00 173.24 170.78 1ot4 s GLU 14 N 6.28 3.35 0.00 12.44 2.02 -1.26 -0.43 118.70 141.10 1ot4 s GLU 14 Ca 0.52 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1ot4 s GLU 14 Cb -0.11 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1ot4 s GLU 14 CO 0.19 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1ot4 n GLY 15 N 4.94 2.24 3.61 -1.39 0.00 -1.21 -4.96 105.19 108.41 1ot4 n GLY 15 Ca -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.15 0.11 4.61 0.00 -1.23 -0.82 121.76 122.28 1ot4 s ALA 16 Ca 0.00 1.08 -0.24 0.00 0.00 0.00 0.00 51.96 52.81 1ot4 s ALA 16 Cb 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 1ot4 s ALA 16 CO 0.00 -0.85 0.72 0.00 0.00 0.00 0.00 175.76 175.63 1ot4 s ALA 17 N -2.44 3.47 0.27 0.00 0.00 -1.26 -4.67 121.76 117.13 1ot4 s ALA 17 Ca 0.12 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 1ot4 s ALA 17 Cb 0.02 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 1ot4 s ALA 17 CO -0.04 0.26 1.08 -1.25 0.00 0.00 0.00 175.76 175.81 1ot4 s PRO 18 N -0.86 4.67 0.28 0.00 0.04 -1.26 -4.93 135.00 132.94 1ot4 s PRO 18 Ca 0.34 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1ot4 s PRO 18 Cb -0.21 -3.20 0.66 0.00 0.04 0.00 0.00 34.50 31.79 1ot4 s PRO 18 CO 0.23 0.25 1.68 0.00 0.04 0.00 0.00 177.00 179.20 1ot4 h ALA 19 N 3.86 1.28 -2.23 8.56 0.00 -1.96 -3.42 119.26 125.35 1ot4 h ALA 19 Ca -0.46 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1ot4 h ALA 19 Cb 1.21 0.22 -0.20 0.00 0.00 0.00 0.00 17.79 19.02 1ot4 h ALA 19 CO 0.67 -0.38 -0.01 -1.59 0.00 0.00 0.00 179.25 177.94 1ot4 s LYS 20 N -5.94 0.88 0.09 0.00 0.00 -1.26 -4.75 119.74 108.76 1ot4 s LYS 20 Ca -0.12 0.10 -0.19 0.00 0.00 0.00 0.00 55.97 55.77 1ot4 s LYS 20 Cb 0.25 0.41 -0.07 0.00 0.00 0.00 0.00 37.83 38.41 1ot4 s LYS 20 CO 0.77 -0.26 0.58 0.42 0.00 0.00 0.00 175.35 176.87 1ot4 s ILE 21 N -1.16 4.73 0.10 3.79 1.09 0.29 -4.89 121.20 125.14 1ot4 s ILE 21 Ca -0.11 1.19 0.05 0.00 -1.10 0.00 0.00 60.65 60.67 1ot4 s ILE 21 Cb -0.02 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.45 1ot4 s ILE 21 CO 0.07 0.50 0.02 -1.61 -0.10 0.00 0.00 174.94 173.83 1ot4 s GLU 22 N -1.26 2.64 -0.07 2.79 2.02 -0.54 0.16 118.70 124.44 1ot4 s GLU 22 Ca 0.31 -0.82 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 1ot4 s GLU 22 Cb -0.19 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.48 1ot4 s GLU 22 CO 0.19 0.54 0.23 -0.51 0.02 0.00 0.00 175.26 175.73 1ot4 s LEU 23 N -2.40 1.14 0.08 1.80 1.43 0.12 -0.01 118.68 120.84 1ot4 s LEU 23 Ca 0.27 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1ot4 s LEU 23 Cb -0.12 0.84 -0.04 0.00 0.03 0.00 0.00 46.19 46.91 1ot4 s LEU 23 CO 0.19 -0.17 -0.07 -1.00 0.23 0.00 0.00 176.35 175.54 1ot4 s HIS 24 N -0.29 0.78 -0.33 0.29 3.76 0.22 0.30 115.29 120.01 1ot4 s HIS 24 Ca -0.04 -0.80 0.05 0.00 -0.15 0.00 0.00 55.06 54.12 1ot4 s HIS 24 Cb -0.03 -0.46 0.17 0.00 1.11 0.00 0.00 32.58 33.37 1ot4 s HIS 24 CO 0.01 -0.15 0.50 -0.06 -0.85 0.00 0.00 174.74 174.19 1ot4 s PHE 25 N -2.94 -1.26 -1.34 1.40 0.40 0.11 -3.48 117.98 110.86 1ot4 s PHE 25 Ca 0.04 0.28 0.15 0.00 -0.60 0.00 0.00 56.93 56.81 1ot4 s PHE 25 Cb 0.01 0.03 0.73 0.00 0.51 0.00 0.00 43.02 44.29 1ot4 s PHE 25 CO -0.04 -1.06 1.43 0.45 0.70 0.00 0.00 175.22 176.70 1ot4 n SER 26 N 4.95 0.00 -3.38 1.36 2.88 -1.26 -3.90 113.62 114.26 1ot4 n SER 26 Ca 0.06 0.16 -0.25 0.00 -1.33 0.00 0.00 58.87 57.51 1ot4 n SER 26 Cb 0.52 -0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.55 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ot4 s GLU 27 N -2.66 0.73 0.18 -1.46 2.12 -1.26 -4.91 118.70 111.43 1ot4 s GLU 27 Ca 0.13 -1.57 0.00 0.00 0.36 0.00 0.00 54.97 53.89 1ot4 s GLU 27 Cb 0.10 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.29 1ot4 s GLU 27 CO 0.24 -1.29 0.00 -1.71 -0.54 0.00 0.00 175.26 171.96 1ot4 n ASN 28 N 3.53 -1.06 -4.13 -1.70 5.15 -1.25 -4.92 115.26 110.87 1ot4 n ASN 28 Ca 0.20 0.32 -0.31 0.00 -0.60 0.00 0.00 54.58 54.19 1ot4 n ASN 28 Cb 0.44 1.18 -0.03 0.00 -0.53 0.00 0.00 39.78 40.83 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 -2.94 -1.83 -4.00 1.20 -0.00 -1.26 -4.93 117.00 103.24 1ot4 n LEU 29 Ca 0.00 -1.04 -0.08 0.00 -0.00 0.00 0.00 56.01 54.89 1ot4 n LEU 29 Cb 0.00 -2.09 -0.10 0.00 -0.00 0.00 0.00 43.42 41.23 1ot4 n LEU 29 CO 0.00 0.37 -0.31 -0.69 -0.00 0.00 0.00 177.39 176.76 1ot4 s VAL 30 N -3.68 0.16 0.07 1.47 1.01 -1.26 -5.06 120.40 113.11 1ot4 s VAL 30 Ca 0.36 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1ot4 s VAL 30 Cb -0.20 -0.96 -0.14 0.00 0.00 0.00 0.00 36.38 35.09 1ot4 s VAL 30 CO 0.92 -0.72 1.63 0.00 0.00 0.00 0.00 175.10 176.92 1ot4 h THR 31 N 3.73 1.12 0.00 3.92 1.03 -1.92 -3.38 112.91 117.40 1ot4 h THR 31 Ca -0.33 -0.35 0.00 0.00 -0.01 0.00 0.00 66.41 65.72 1ot4 h THR 31 Cb 1.18 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 1ot4 h THR 31 CO 0.54 0.10 0.00 1.67 -0.01 0.00 0.00 175.52 177.82 1ot4 n GLN 32 N -4.96 0.00 -1.68 0.00 -0.06 -1.26 -4.78 117.38 104.64 1ot4 n GLN 32 Ca -0.06 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.77 1ot4 n GLN 32 Cb 0.10 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.22 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 -0.62 -0.43 -4.55 3.69 3.72 -1.26 -4.79 117.46 113.22 1ot4 n PHE 33 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 1ot4 n PHE 33 Cb 0.00 -3.05 -0.09 0.00 -0.94 0.00 0.00 39.48 35.40 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 -2.32 3.02 -0.02 4.37 1.04 -1.26 -3.96 113.70 114.57 1ot4 s SER 34 Ca 0.00 -1.56 -0.25 0.00 0.48 0.00 0.00 55.95 54.62 1ot4 s SER 34 Cb 0.00 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.44 1ot4 s SER 34 CO 0.00 -0.78 0.56 -0.83 0.98 0.00 0.00 173.24 173.17 1ot4 s GLY 35 N -3.63 -0.45 0.09 7.32 0.00 -0.61 -5.04 107.32 105.00 1ot4 s GLY 35 Ca 0.25 0.94 -0.01 0.00 0.00 0.00 0.00 44.72 45.90 1ot4 s GLY 35 CO 0.13 0.63 -0.00 0.00 0.00 0.00 0.00 173.10 173.86 1ot4 s ALA 36 N -1.45 0.71 -0.22 3.20 0.00 -1.26 0.35 121.76 123.08 1ot4 s ALA 36 Ca -0.11 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 1ot4 s ALA 36 Cb -0.01 0.48 0.08 0.00 0.00 0.00 0.00 23.12 23.66 1ot4 s ALA 36 CO 0.06 -0.40 0.51 0.15 0.00 0.00 0.00 175.76 176.09 1ot4 s LYS 37 N -3.96 0.48 -0.18 0.00 1.02 0.25 -4.86 119.74 112.50 1ot4 s LYS 37 Ca 0.14 1.05 -0.12 0.00 0.02 0.00 0.00 55.97 57.06 1ot4 s LYS 37 Cb 0.07 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.56 1ot4 s LYS 37 CO -0.05 -0.18 0.23 -1.17 -0.92 0.00 0.00 175.35 173.26 1ot4 s LEU 38 N 1.96 4.22 0.01 3.17 2.96 -1.26 -1.08 118.68 128.66 1ot4 s LEU 38 Ca -0.07 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 1ot4 s LEU 38 Cb -0.09 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1ot4 s LEU 38 CO -0.15 0.12 -0.13 0.68 -1.32 0.00 0.00 176.35 175.55 1ot4 s VAL 39 N 0.47 3.20 -0.65 1.68 -7.23 -0.20 -0.81 120.40 116.86 1ot4 s VAL 39 Ca 0.13 -0.92 -0.17 0.00 -1.81 0.00 0.00 61.98 59.21 1ot4 s VAL 39 Cb -0.12 -2.35 0.14 0.00 0.56 0.00 0.00 36.38 34.61 1ot4 s VAL 39 CO 0.02 0.41 0.68 -0.32 -0.31 0.00 0.00 175.10 175.58 1ot4 s MET 40 N -1.28 3.19 -0.82 4.82 1.75 0.34 -0.39 119.30 126.91 1ot4 s MET 40 Ca 0.15 -1.75 0.02 0.00 -1.25 0.00 0.00 55.69 52.86 1ot4 s MET 40 Cb -0.11 -4.36 0.33 0.00 2.84 0.00 0.00 34.83 33.53 1ot4 s MET 40 CO 0.05 -1.43 1.39 -2.37 -0.65 0.00 0.00 175.02 172.02 1ot4 n THR 41 N 5.08 4.64 0.00 10.11 5.66 -0.62 -2.80 114.28 136.34 1ot4 n THR 41 Ca -0.04 -5.79 0.00 0.00 -3.05 0.00 0.00 64.05 55.18 1ot4 n THR 41 Cb 0.43 -1.51 0.00 0.00 -1.55 0.00 0.00 70.33 67.70 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 -0.09 -0.22 -3.83 1.79 0.00 -0.81 -4.56 120.51 112.79 1ot4 n ALA 42 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.55 1ot4 n ALA 42 Cb 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 1ot4 n ALA 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ot4 s MET 43 N -1.78 1.11 -0.13 0.00 1.75 -1.26 -4.67 119.30 114.32 1ot4 s MET 43 Ca 0.00 -0.41 -0.29 0.00 -1.25 0.00 0.00 55.69 53.73 1ot4 s MET 43 Cb 0.00 -1.89 -0.02 0.00 2.84 0.00 0.00 34.83 35.75 1ot4 s MET 43 CO 0.00 -0.47 1.26 -1.25 -0.65 0.00 0.00 175.02 173.91 1ot4 s PRO 44 N 1.74 4.27 -0.21 4.11 0.04 -1.26 -4.91 135.00 138.76 1ot4 s PRO 44 Ca 0.01 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1ot4 s PRO 44 Cb -0.15 -3.71 -0.08 0.00 0.04 0.00 0.00 34.50 30.60 1ot4 s PRO 44 CO -0.07 -0.63 -0.33 0.41 0.04 0.00 0.00 177.00 176.41 1ot4 n GLY 45 N 3.56 -0.53 3.40 0.56 0.00 -1.26 -4.74 105.19 106.18 1ot4 n GLY 45 Ca 0.13 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.74 3.87 -0.02 1.61 -1.94 -1.26 -4.78 119.30 114.04 1ot4 s MET 46 Ca -0.32 -2.46 -0.01 0.00 -1.71 0.00 0.00 55.69 51.19 1ot4 s MET 46 Cb 0.08 -4.78 0.00 0.00 2.01 0.00 0.00 34.83 32.14 1ot4 s MET 46 CO 0.44 -1.55 0.02 -1.91 -0.01 0.00 0.00 175.02 172.02 1ot4 n GLU 47 N 4.90 -0.23 -3.30 2.03 2.13 -1.26 -3.06 120.64 121.85 1ot4 n GLU 47 Ca 0.25 0.55 -0.30 0.00 0.66 0.00 0.00 57.16 58.32 1ot4 n GLU 47 Cb 0.45 -0.71 0.03 0.00 0.27 0.00 0.00 31.44 31.48 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 0.98 -2.04 -3.58 4.31 -0.00 -1.26 -4.91 115.22 108.71 1ot4 n HIS 48 Ca -0.00 0.86 -0.27 0.00 -0.00 0.00 0.00 57.72 58.30 1ot4 n HIS 48 Cb 0.35 -1.50 -0.10 0.00 -0.00 0.00 0.00 29.99 28.75 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ot4 n SER 49 N 0.16 2.62 -4.38 0.26 7.64 -1.17 -5.02 113.62 113.72 1ot4 n SER 49 Ca -0.07 -3.15 -0.29 0.00 1.01 0.00 0.00 58.87 56.36 1ot4 n SER 49 Cb 0.61 -0.69 0.17 0.00 -1.01 0.00 0.00 64.21 63.30 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ot4 s PRO 50 N -1.66 0.44 0.10 1.43 0.04 -1.26 -4.72 135.00 129.36 1ot4 s PRO 50 Ca 0.33 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.42 1ot4 s PRO 50 Cb 0.06 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 1ot4 s PRO 50 CO -0.11 -2.62 -0.09 -1.64 0.04 0.00 0.00 177.00 172.58 1ot4 s MET 51 N -5.47 0.83 0.07 4.56 -1.94 -1.12 -4.98 119.30 111.26 1ot4 s MET 51 Ca 0.68 -1.18 -0.09 0.00 -1.71 0.00 0.00 55.69 53.40 1ot4 s MET 51 Cb -0.11 -0.46 -0.06 0.00 2.01 0.00 0.00 34.83 36.21 1ot4 s MET 51 CO 0.54 0.06 0.37 0.00 -0.01 0.00 0.00 175.02 175.98 1ot4 s ALA 52 N -2.62 3.76 0.24 3.03 0.00 -1.26 0.13 121.76 125.03 1ot4 s ALA 52 Ca 0.06 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.67 1ot4 s ALA 52 Cb -0.02 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1ot4 s ALA 52 CO -0.01 0.59 0.06 0.54 0.00 0.00 0.00 175.76 176.94 1ot4 s VAL 53 N -1.41 3.80 -0.31 0.00 0.11 0.01 -4.82 120.40 117.78 1ot4 s VAL 53 Ca 0.33 -1.66 -0.23 0.00 -2.93 0.00 0.00 61.98 57.49 1ot4 s VAL 53 Cb -0.14 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1ot4 s VAL 53 CO 0.18 -0.31 0.77 -1.59 -3.33 0.00 0.00 175.10 170.82 1ot4 s LYS 54 N -3.57 3.93 0.30 1.54 -2.85 -1.26 -4.60 119.74 113.24 1ot4 s LYS 54 Ca 0.31 0.52 -0.06 0.00 -1.00 0.00 0.00 55.97 55.74 1ot4 s LYS 54 Cb -0.07 -3.74 -0.00 0.00 -2.06 0.00 0.00 37.83 31.96 1ot4 s LYS 54 CO 0.21 -0.68 0.44 0.00 0.10 0.00 0.00 175.35 175.42 1ot4 s ALA 55 N 2.92 0.50 -0.09 0.59 0.00 -1.26 -3.15 121.76 121.26 1ot4 s ALA 55 Ca 0.31 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1ot4 s ALA 55 Cb -0.14 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.16 1ot4 s ALA 55 CO 0.13 -0.79 0.24 0.00 0.00 0.00 0.00 175.76 175.34 1ot4 s ALA 56 N -3.45 -0.59 -0.21 0.00 0.00 -1.06 -4.85 121.76 111.61 1ot4 s ALA 56 Ca 0.29 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 1ot4 s ALA 56 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1ot4 s ALA 56 CO 0.16 -0.13 0.09 0.54 0.00 0.00 0.00 175.76 176.42 1ot4 s VAL 57 N 0.35 4.84 0.36 0.00 0.11 -1.26 -1.23 120.40 123.57 1ot4 s VAL 57 Ca -0.02 -0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1ot4 s VAL 57 Cb -0.03 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1ot4 s VAL 57 CO -0.01 0.41 0.14 -0.44 -3.33 0.00 0.00 175.10 171.86 1ot4 s SER 58 N 0.79 2.23 0.13 3.54 0.01 0.56 -5.00 113.70 115.95 1ot4 s SER 58 Ca 0.05 -1.60 0.01 0.00 1.31 0.00 0.00 55.95 55.71 1ot4 s SER 58 Cb -0.13 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 1ot4 s SER 58 CO 0.02 -0.88 0.28 -0.83 0.41 0.00 0.00 173.24 172.24 1ot4 s GLY 59 N -3.50 1.90 0.00 3.44 0.00 -1.26 0.62 107.32 108.53 1ot4 s GLY 59 Ca 0.31 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1ot4 s GLY 59 CO 0.16 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.97 1ot4 n GLY 60 N -0.26 0.86 1.83 0.20 0.00 0.28 -4.70 105.19 103.40 1ot4 n GLY 60 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 3.96 3.61 -0.02 0.00 -1.26 -4.95 105.19 111.53 1ot4 n GLY 61 Ca 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.34 -0.10 0.00 1.61 1.01 -1.26 -5.00 116.67 111.60 1ot4 s ASP 62 Ca 0.53 0.02 0.23 0.00 0.71 0.00 0.00 52.55 54.04 1ot4 s ASP 62 Cb 0.43 0.10 1.28 0.00 1.01 0.00 0.00 42.92 45.75 1ot4 s ASP 62 CO 0.11 -0.15 1.77 -0.81 0.21 0.00 0.00 175.17 176.30 1ot4 n PRO 63 N 0.03 0.53 -0.00 8.23 -0.04 -1.26 -1.94 135.00 140.55 1ot4 n PRO 63 Ca 0.02 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1ot4 n PRO 63 Cb 0.58 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.14 0.20 -5.09 0.54 -0.00 -1.26 -4.13 118.16 107.27 1ot4 n LYS 64 Ca 0.14 -0.06 -0.32 0.00 -0.00 0.00 0.00 58.31 58.08 1ot4 n LYS 64 Cb 0.13 -1.51 -0.16 0.00 -0.00 0.00 0.00 35.03 33.49 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 -3.15 2.40 0.38 0.58 2.01 -0.82 0.08 115.64 117.12 1ot4 s THR 65 Ca 0.03 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1ot4 s THR 65 Cb 0.15 -1.93 -0.07 0.00 0.01 0.00 0.00 72.50 70.67 1ot4 s THR 65 CO 0.88 0.56 0.01 -0.04 -0.69 0.00 0.00 174.62 175.33 1ot4 s MET 66 N 0.11 1.99 -0.22 4.92 -1.94 0.15 -0.55 119.30 123.75 1ot4 s MET 66 Ca -0.10 -1.95 -0.18 0.00 -1.71 0.00 0.00 55.69 51.75 1ot4 s MET 66 Cb -0.16 -1.77 0.06 0.00 2.01 0.00 0.00 34.83 34.97 1ot4 s MET 66 CO 0.06 0.03 0.58 0.54 -0.01 0.00 0.00 175.02 176.22 1ot4 s VAL 67 N -2.62 -0.00 -0.22 -6.03 0.11 0.20 0.15 120.40 111.98 1ot4 s VAL 67 Ca 0.35 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 1ot4 s VAL 67 Cb 0.05 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1ot4 s VAL 67 CO 0.19 0.00 0.05 -0.63 -3.33 0.00 0.00 175.10 171.38 1ot4 s ILE 68 N 0.61 4.33 -0.25 7.04 1.09 0.12 -0.32 121.20 133.82 1ot4 s ILE 68 Ca -0.02 -0.18 0.01 0.00 -1.10 0.00 0.00 60.65 59.36 1ot4 s ILE 68 Cb -0.05 -2.99 0.07 0.00 -1.06 0.00 0.00 42.46 38.43 1ot4 s ILE 68 CO -0.04 0.39 -0.02 -0.89 -0.10 0.00 0.00 174.94 174.28 1ot4 s THR 69 N 1.19 1.45 0.16 2.92 2.01 -0.36 -0.55 115.64 122.46 1ot4 s THR 69 Ca 0.04 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 1ot4 s THR 69 Cb -0.14 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.48 1ot4 s THR 69 CO 0.03 -0.22 1.12 -2.16 -0.69 0.00 0.00 174.62 172.70 1ot4 s PRO 70 N 1.41 4.56 0.51 4.92 0.04 -1.26 -2.57 135.00 142.60 1ot4 s PRO 70 Ca -0.02 1.74 0.31 0.00 0.04 0.00 0.00 61.00 63.07 1ot4 s PRO 70 Cb -0.19 -3.29 1.12 0.00 0.04 0.00 0.00 34.50 32.19 1ot4 s PRO 70 CO -0.09 0.00 1.89 0.00 0.04 0.00 0.00 177.00 178.85 1ot4 h ALA 71 N 5.39 1.00 -3.19 8.56 0.00 -1.87 -3.44 119.26 125.72 1ot4 h ALA 71 Ca -0.44 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 1ot4 h ALA 71 Cb 1.21 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1ot4 h ALA 71 CO 0.74 0.00 -0.69 0.45 0.00 0.00 0.00 179.25 179.74 1ot4 s SER 72 N -5.72 4.61 0.21 0.00 0.15 -1.24 -5.09 113.70 106.62 1ot4 s SER 72 Ca 0.03 -0.39 -0.30 0.00 0.70 0.00 0.00 55.95 55.99 1ot4 s SER 72 Cb 0.08 -0.94 -0.08 0.00 -1.71 0.00 0.00 66.02 63.37 1ot4 s SER 72 CO 0.56 0.13 1.10 -2.16 1.20 0.00 0.00 173.24 174.08 1ot4 s PRO 73 N -2.59 4.61 -0.30 5.44 0.04 -1.26 -5.00 135.00 135.93 1ot4 s PRO 73 Ca 0.25 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 1ot4 s PRO 73 Cb -0.10 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.19 1ot4 s PRO 73 CO 0.16 0.12 0.72 -0.51 0.04 0.00 0.00 177.00 177.53 1ot4 s LEU 74 N -0.72 4.11 0.46 -3.56 1.43 -1.26 -5.05 118.68 114.09 1ot4 s LEU 74 Ca 0.48 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1ot4 s LEU 74 Cb -0.30 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 42.97 1ot4 s LEU 74 CO 0.37 -0.54 0.66 0.42 0.23 0.00 0.00 176.35 177.49 1ot4 s THR 75 N 2.78 3.42 1.06 5.49 -4.23 -1.26 -4.70 115.64 118.21 1ot4 s THR 75 Ca 0.29 -0.70 -0.23 0.00 -1.18 0.00 0.00 61.69 59.87 1ot4 s THR 75 Cb -0.15 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1ot4 s THR 75 CO 0.12 -0.15 -0.72 0.00 -0.54 0.00 0.00 174.62 173.33 1ot4 n ALA 76 N -2.07 -4.93 0.00 3.99 0.00 -1.26 -4.75 120.51 111.49 1ot4 n ALA 76 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1ot4 n ALA 76 Cb 0.59 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 2.72 0.19 3.13 0.00 0.00 0.13 -4.83 105.19 106.53 1ot4 n GLY 77 Ca -0.01 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.62 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 1.20 0.11 2.61 2.01 -1.26 0.46 115.64 120.76 1ot4 s THR 78 Ca 0.00 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 1ot4 s THR 78 Cb 0.00 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1ot4 s THR 78 CO 0.00 0.27 0.09 -0.31 -0.69 0.00 0.00 174.62 173.98 1ot4 s TYR 79 N -0.46 0.59 -0.13 4.92 1.51 -0.54 -1.59 117.35 121.65 1ot4 s TYR 79 Ca 0.05 -1.02 -0.02 0.00 -1.01 0.00 0.00 57.07 55.08 1ot4 s TYR 79 Cb -0.06 -0.32 0.04 0.00 -0.11 0.00 0.00 41.96 41.51 1ot4 s TYR 79 CO -0.00 -0.52 0.01 0.15 -1.11 0.00 0.00 175.55 174.08 1ot4 s LYS 80 N -3.97 0.67 -0.54 -0.62 1.02 0.47 -1.52 119.74 115.25 1ot4 s LYS 80 Ca 0.16 -0.14 -0.21 0.00 0.02 0.00 0.00 55.97 55.79 1ot4 s LYS 80 Cb 0.06 -1.51 0.06 0.00 -0.52 0.00 0.00 37.83 35.92 1ot4 s LYS 80 CO -0.04 -0.45 0.76 0.08 -0.92 0.00 0.00 175.35 174.79 1ot4 s VAL 81 N 1.91 4.66 -0.42 3.17 1.01 -0.01 -1.03 120.40 129.70 1ot4 s VAL 81 Ca 0.02 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1ot4 s VAL 81 Cb -0.14 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1ot4 s VAL 81 CO -0.07 -0.99 0.37 -1.81 0.00 0.00 0.00 175.10 172.61 1ot4 s ASP 82 N 2.90 6.15 0.18 3.32 1.01 -0.24 0.26 116.67 130.25 1ot4 s ASP 82 Ca 0.20 -0.79 0.05 0.00 0.71 0.00 0.00 52.55 52.73 1ot4 s ASP 82 Cb -0.17 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1ot4 s ASP 82 CO 0.14 -0.52 0.15 -1.66 0.21 0.00 0.00 175.17 173.48 1ot4 s TRP 83 N 1.92 3.15 -0.03 4.23 1.48 0.65 -0.58 118.94 129.77 1ot4 s TRP 83 Ca 0.09 -0.03 -0.00 0.00 -1.06 0.00 0.00 56.10 55.10 1ot4 s TRP 83 Cb -0.18 -1.50 0.03 0.00 -1.16 0.00 0.00 33.47 30.66 1ot4 s TRP 83 CO 0.12 0.52 0.03 1.03 -4.06 0.00 0.00 176.95 174.59 1ot4 s ARG 84 N -3.23 0.03 0.06 3.25 0.52 0.15 0.27 118.95 120.01 1ot4 s ARG 84 Ca 0.31 0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.76 1ot4 s ARG 84 Cb -0.10 -0.35 -0.04 0.00 0.52 0.00 0.00 34.95 34.99 1ot4 s ARG 84 CO 0.24 -0.19 -0.03 0.00 0.02 0.00 0.00 175.30 175.34 1ot4 s ALA 85 N 1.24 3.18 0.71 2.13 0.00 0.45 -1.57 121.76 127.90 1ot4 s ALA 85 Ca -0.07 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 1ot4 s ALA 85 Cb -0.13 -1.16 0.06 0.00 0.00 0.00 0.00 23.12 21.89 1ot4 s ALA 85 CO -0.03 0.67 1.02 0.54 0.00 0.00 0.00 175.76 177.96 1ot4 s VAL 86 N -1.19 2.34 0.00 0.00 0.11 -1.25 -1.05 120.40 119.35 1ot4 s VAL 86 Ca 0.22 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1ot4 s VAL 86 Cb -0.11 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1ot4 s VAL 86 CO 0.14 -0.03 0.00 -1.54 -3.33 0.00 0.00 175.10 170.34 1ot4 n SER 87 N -2.94 0.00 -0.46 3.54 3.41 -1.26 -4.72 113.62 111.19 1ot4 n SER 87 Ca 0.08 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.74 1ot4 n SER 87 Cb 0.60 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 1ot4 n SER 87 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ot4 n SER 88 N -2.20 -2.54 0.00 4.04 7.64 -1.26 -4.79 113.62 114.51 1ot4 n SER 88 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1ot4 n SER 88 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.63 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ot4 n ASP 89 N -2.80 0.00 -4.78 6.43 2.03 -1.26 -4.78 116.55 111.39 1ot4 n ASP 89 Ca -0.03 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.01 1ot4 n ASP 89 Cb 0.22 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ot4 s THR 90 N 0.00 1.87 0.74 5.18 -4.23 -1.26 -5.09 115.64 112.84 1ot4 s THR 90 Ca 0.00 -1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 58.61 1ot4 s THR 90 Cb 0.00 -2.59 -0.12 0.00 1.34 0.00 0.00 72.50 71.13 1ot4 s THR 90 CO 0.00 0.00 -0.19 0.00 -0.54 0.00 0.00 174.62 173.89 1ot4 n HIS 91 N -1.36 -3.17 -1.53 3.99 1.44 -1.26 -4.83 115.22 108.50 1ot4 n HIS 91 Ca -0.05 0.26 -0.30 0.00 -2.01 0.00 0.00 57.72 55.61 1ot4 n HIS 91 Cb 0.65 -1.66 0.20 0.00 0.12 0.00 0.00 29.99 29.31 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 -1.84 -0.05 -0.05 -1.40 0.04 -1.26 -4.68 135.00 125.77 1ot4 s PRO 92 Ca 0.53 -0.16 0.03 0.00 0.04 0.00 0.00 61.00 61.44 1ot4 s PRO 92 Cb -0.35 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1ot4 s PRO 92 CO 0.70 -2.91 -0.14 0.42 0.04 0.00 0.00 177.00 175.11 1ot4 s ILE 93 N -3.44 3.10 0.27 0.56 -1.09 -0.22 -5.01 121.20 115.38 1ot4 s ILE 93 Ca 0.71 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1ot4 s ILE 93 Cb -0.08 -2.22 -0.06 0.00 -1.58 0.00 0.00 42.46 38.53 1ot4 s ILE 93 CO 0.54 0.59 0.05 0.42 -1.23 0.00 0.00 174.94 175.31 1ot4 s THR 94 N -0.69 0.95 -0.03 2.92 -4.23 -1.26 -0.41 115.64 112.88 1ot4 s THR 94 Ca 0.11 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.31 1ot4 s THR 94 Cb -0.11 -2.59 0.11 0.00 1.34 0.00 0.00 72.50 71.24 1ot4 s THR 94 CO 0.01 -0.11 0.95 -0.83 -0.54 0.00 0.00 174.62 174.10 1ot4 s GLY 95 N -3.37 -0.43 0.01 3.99 0.00 0.14 -4.88 107.32 102.78 1ot4 s GLY 95 Ca 0.34 1.08 -0.08 0.00 0.00 0.00 0.00 44.72 46.06 1ot4 s GLY 95 CO 0.13 0.36 0.16 -0.56 0.00 0.00 0.00 173.10 173.19 1ot4 s SER 96 N -2.45 0.01 -0.28 1.64 0.01 -1.26 -0.25 113.70 111.12 1ot4 s SER 96 Ca 0.06 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 1ot4 s SER 96 Cb -0.01 0.23 0.11 0.00 0.21 0.00 0.00 66.02 66.56 1ot4 s SER 96 CO -0.08 -0.41 0.19 -0.69 0.41 0.00 0.00 173.24 172.66 1ot4 s VAL 97 N -1.60 -0.20 0.10 3.43 1.01 0.14 -4.93 120.40 118.34 1ot4 s VAL 97 Ca -0.13 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1ot4 s VAL 97 Cb -0.06 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 1ot4 s VAL 97 CO 0.01 -0.61 0.72 0.28 0.00 0.00 0.00 175.10 175.50 1ot4 s THR 98 N 2.20 4.59 0.02 3.92 -1.32 -1.26 -0.83 115.64 122.96 1ot4 s THR 98 Ca 0.09 1.55 -0.17 0.00 -1.21 0.00 0.00 61.69 61.95 1ot4 s THR 98 Cb -0.15 -4.07 0.03 0.00 -1.51 0.00 0.00 72.50 66.80 1ot4 s THR 98 CO -0.34 0.47 0.38 0.72 -2.21 0.00 0.00 174.62 173.64 1ot4 s PHE 99 N -0.74 -0.23 0.29 9.09 -0.12 -0.58 0.47 117.98 126.17 1ot4 s PHE 99 Ca 0.35 0.25 0.08 0.00 -0.05 0.00 0.00 56.93 57.56 1ot4 s PHE 99 Cb -0.21 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 1ot4 s PHE 99 CO 0.23 -0.50 0.20 0.15 -0.05 0.00 0.00 175.22 175.25 1ot4 s LYS 100 N -2.03 2.73 -0.06 1.99 1.02 0.43 -1.47 119.74 122.36 1ot4 s LYS 100 Ca -0.08 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.67 1ot4 s LYS 100 Cb -0.02 -2.45 0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1ot4 s LYS 100 CO 0.01 0.27 0.01 0.08 -0.92 0.00 0.00 175.35 174.80 1ot4 s VAL 101 N -2.24 0.25 -0.32 3.17 1.01 0.17 -3.36 120.40 119.09 1ot4 s VAL 101 Ca 0.36 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1ot4 s VAL 101 Cb -0.07 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1ot4 s VAL 101 CO 0.25 0.23 0.58 0.29 0.00 0.00 0.00 175.10 176.45