#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 h PRO 2 N 0.00 -0.25 -3.62 -1.40 0.13 -1.97 -3.46 132.00 121.43 1ot4 h PRO 2 Ca 0.00 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 1ot4 h PRO 2 Cb 0.00 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 31.05 1ot4 h PRO 2 CO 0.00 0.03 -0.24 0.21 -0.23 0.00 0.00 178.00 177.77 1ot4 s LYS 3 N -2.80 0.95 -0.40 0.86 2.20 -1.26 -4.73 119.74 114.56 1ot4 s LYS 3 Ca -0.08 -0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 54.40 1ot4 s LYS 3 Cb 0.00 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1ot4 s LYS 3 CO 0.29 -0.34 1.91 -1.17 -0.36 0.00 0.00 175.35 175.68 1ot4 s LEU 4 N -2.84 3.44 0.01 5.43 1.98 -1.26 -4.88 118.68 120.56 1ot4 s LEU 4 Ca 0.04 1.11 -0.03 0.00 -2.89 0.00 0.00 54.13 52.36 1ot4 s LEU 4 Cb 0.03 -3.19 -0.01 0.00 0.66 0.00 0.00 46.19 43.68 1ot4 s LEU 4 CO -0.11 -2.00 1.05 0.58 -1.89 0.00 0.00 176.35 173.98 1ot4 h VAL 5 N 6.94 0.00 -3.08 1.68 2.07 -1.97 -3.46 116.25 118.43 1ot4 h VAL 5 Ca -0.32 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1ot4 h VAL 5 Cb 1.18 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.80 1ot4 h VAL 5 CO 1.08 0.00 -0.08 -0.44 0.02 0.00 0.00 177.57 178.16 1ot4 s SER 6 N -2.64 -0.29 0.25 0.57 0.01 -1.24 -5.06 113.70 105.31 1ot4 s SER 6 Ca -0.02 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.01 1ot4 s SER 6 Cb 0.01 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.70 1ot4 s SER 6 CO 0.06 -0.72 0.61 -0.94 0.41 0.00 0.00 173.24 172.66 1ot4 s SER 7 N -2.20 -0.21 -0.38 2.44 1.04 -1.26 0.67 113.70 113.80 1ot4 s SER 7 Ca -0.03 -0.68 0.13 0.00 0.48 0.00 0.00 55.95 55.84 1ot4 s SER 7 Cb -0.00 0.66 0.38 0.00 0.10 0.00 0.00 66.02 67.16 1ot4 s SER 7 CO -0.05 -1.23 0.82 0.41 0.98 0.00 0.00 173.24 174.17 1ot4 n THR 8 N -0.42 0.51 0.02 2.02 -1.04 0.12 -4.90 114.28 110.59 1ot4 n THR 8 Ca -0.04 -4.30 -0.01 0.00 -2.04 0.00 0.00 64.05 57.66 1ot4 n THR 8 Cb 0.61 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 68.95 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 2.98 -0.07 0.00 -2.82 0.13 -1.85 -0.69 132.00 129.67 1ot4 h PRO 9 Ca 0.06 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1ot4 h PRO 9 Cb 0.98 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 1ot4 h PRO 9 CO 0.54 -0.05 0.10 0.00 -0.23 0.00 0.00 178.00 178.36 1ot4 n ALA 10 N -2.17 -2.13 -1.41 -0.56 0.00 -1.26 -4.56 120.51 108.42 1ot4 n ALA 10 Ca -0.01 -0.19 -0.48 0.00 0.00 0.00 0.00 53.44 52.76 1ot4 n ALA 10 Cb 0.03 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 0.11 -3.41 0.00 1.02 -1.26 0.10 120.64 116.93 1ot4 n GLU 11 Ca -0.14 0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.80 1ot4 n GLU 11 Cb 0.57 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 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 6.85 -0.47 3.55 0.62 0.00 0.16 -4.78 105.19 111.12 1ot4 n GLY 12 Ca 0.59 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.64 5.29 -0.25 1.61 0.15 0.29 -4.72 113.70 113.42 1ot4 s SER 13 Ca 0.39 0.39 -0.04 0.00 0.70 0.00 0.00 55.95 57.39 1ot4 s SER 13 Cb -0.22 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1ot4 s SER 13 CO 0.48 -2.35 -0.00 -1.61 1.20 0.00 0.00 173.24 170.96 1ot4 s GLU 14 N 6.99 3.18 0.00 5.44 2.02 -1.26 0.45 118.70 135.52 1ot4 s GLU 14 Ca 0.68 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1ot4 s GLU 14 Cb -0.13 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1ot4 s GLU 14 CO 0.21 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1ot4 n GLY 15 N 4.80 3.16 3.60 -1.39 0.00 -1.24 -4.94 105.19 109.17 1ot4 n GLY 15 Ca -0.17 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.10 0.19 4.61 0.00 -1.25 -0.51 121.76 122.70 1ot4 s ALA 16 Ca 0.00 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1ot4 s ALA 16 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 1ot4 s ALA 16 CO 0.00 -0.68 0.95 0.00 0.00 0.00 0.00 175.76 176.03 1ot4 s ALA 17 N -2.41 3.30 0.18 0.00 0.00 -1.26 -4.71 121.76 116.86 1ot4 s ALA 17 Ca 0.10 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1ot4 s ALA 17 Cb 0.00 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 1ot4 s ALA 17 CO -0.04 0.12 1.12 -1.25 0.00 0.00 0.00 175.76 175.71 1ot4 s PRO 18 N -0.74 4.57 0.27 0.00 0.04 -1.26 -4.92 135.00 132.96 1ot4 s PRO 18 Ca 0.43 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 1ot4 s PRO 18 Cb -0.25 -3.27 0.54 0.00 0.04 0.00 0.00 34.50 31.56 1ot4 s PRO 18 CO 0.31 0.04 1.59 0.00 0.04 0.00 0.00 177.00 178.99 1ot4 h ALA 19 N 5.13 0.87 -2.59 8.56 0.00 -1.95 -3.42 119.26 125.86 1ot4 h ALA 19 Ca -0.44 0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ot4 h ALA 19 Cb 1.21 0.57 -0.16 0.00 0.00 0.00 0.00 17.79 19.41 1ot4 h ALA 19 CO 0.73 -0.46 -0.16 -1.59 0.00 0.00 0.00 179.25 177.76 1ot4 s LYS 20 N -6.12 0.92 0.10 0.00 0.00 -1.26 -4.78 119.74 108.60 1ot4 s LYS 20 Ca -0.14 -0.53 -0.11 0.00 0.00 0.00 0.00 55.97 55.19 1ot4 s LYS 20 Cb 0.26 0.40 -0.06 0.00 0.00 0.00 0.00 37.83 38.43 1ot4 s LYS 20 CO 0.77 -0.32 0.44 0.42 0.00 0.00 0.00 175.35 176.66 1ot4 s ILE 21 N -2.93 5.03 0.13 3.79 1.09 0.54 -4.88 121.20 123.97 1ot4 s ILE 21 Ca -0.02 0.56 0.08 0.00 -1.10 0.00 0.00 60.65 60.16 1ot4 s ILE 21 Cb 0.00 -3.67 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 1ot4 s ILE 21 CO -0.06 0.27 -0.08 -0.70 -0.10 0.00 0.00 174.94 174.27 1ot4 s GLU 22 N -1.93 2.15 -0.06 2.79 -6.30 -0.27 -0.43 118.70 114.66 1ot4 s GLU 22 Ca 0.34 -1.09 -0.10 0.00 -2.50 0.00 0.00 54.97 51.62 1ot4 s GLU 22 Cb -0.14 -2.28 0.02 0.00 0.00 0.00 0.00 34.13 31.73 1ot4 s GLU 22 CO 0.18 0.48 0.25 -0.51 0.02 0.00 0.00 175.26 175.69 1ot4 s LEU 23 N -2.47 1.07 0.10 2.70 1.43 0.12 0.14 118.68 121.78 1ot4 s LEU 23 Ca 0.23 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1ot4 s LEU 23 Cb -0.10 0.94 -0.04 0.00 0.03 0.00 0.00 46.19 47.02 1ot4 s LEU 23 CO 0.15 -0.23 -0.09 -1.00 0.23 0.00 0.00 176.35 175.41 1ot4 s HIS 24 N -0.49 1.02 -0.28 0.29 3.76 0.21 -1.05 115.29 118.75 1ot4 s HIS 24 Ca -0.06 -0.75 0.01 0.00 -0.15 0.00 0.00 55.06 54.11 1ot4 s HIS 24 Cb -0.04 -0.56 0.17 0.00 1.11 0.00 0.00 32.58 33.26 1ot4 s HIS 24 CO 0.01 -0.04 0.49 -0.06 -0.85 0.00 0.00 174.74 174.29 1ot4 s PHE 25 N -2.95 -1.29 -0.09 1.40 0.08 -0.48 -3.64 117.98 111.02 1ot4 s PHE 25 Ca 0.09 0.94 0.30 0.00 0.12 0.00 0.00 56.93 58.38 1ot4 s PHE 25 Cb 0.01 0.16 1.26 0.00 -0.57 0.00 0.00 43.02 43.88 1ot4 s PHE 25 CO -0.01 -0.92 1.90 0.77 -0.10 0.00 0.00 175.22 176.85 1ot4 h SER 26 N 8.09 0.00 -2.90 1.36 0.02 -1.94 -3.38 113.55 114.80 1ot4 h SER 26 Ca -0.13 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.28 1ot4 h SER 26 Cb 1.15 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.29 1ot4 h SER 26 CO 0.24 0.00 -0.77 -1.61 -1.14 0.00 0.00 176.83 173.55 1ot4 s GLU 27 N -3.56 0.31 0.34 3.45 2.02 -1.26 -4.93 118.70 115.07 1ot4 s GLU 27 Ca 0.02 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1ot4 s GLU 27 Cb 0.09 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.90 1ot4 s GLU 27 CO 0.48 -0.97 0.00 -1.71 0.02 0.00 0.00 175.26 173.08 1ot4 n ASN 28 N 5.16 -2.99 -2.37 -0.19 5.15 -1.26 -4.59 115.26 114.17 1ot4 n ASN 28 Ca -0.05 0.65 -0.01 0.00 -0.60 0.00 0.00 54.58 54.56 1ot4 n ASN 28 Cb 0.43 2.91 -0.00 0.00 -0.53 0.00 0.00 39.78 42.59 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 -3.18 -0.12 -4.24 1.20 -0.00 -1.26 -4.85 117.00 104.54 1ot4 n LEU 29 Ca 0.00 0.43 -0.29 0.00 -0.00 0.00 0.00 56.01 56.15 1ot4 n LEU 29 Cb 0.00 -1.09 -0.16 0.00 -0.00 0.00 0.00 43.42 42.17 1ot4 n LEU 29 CO 0.00 -0.02 -0.54 -0.69 -0.00 0.00 0.00 177.39 176.14 1ot4 s VAL 30 N -1.99 1.80 0.00 1.47 1.01 -1.26 -5.05 120.40 116.38 1ot4 s VAL 30 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1ot4 s VAL 30 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1ot4 s VAL 30 CO 0.00 0.51 0.90 0.41 0.00 0.00 0.00 175.10 176.92 1ot4 n THR 31 N 2.73 0.00 0.00 3.92 -1.04 -1.26 -4.71 114.28 113.93 1ot4 n THR 31 Ca -0.16 1.39 0.00 0.00 -2.04 0.00 0.00 64.05 63.23 1ot4 n THR 31 Cb 0.52 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1ot4 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ot4 n GLN 32 N -2.72 0.00 -0.55 -2.82 6.02 -1.26 -4.83 117.38 111.22 1ot4 n GLN 32 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1ot4 n GLN 32 Cb 0.00 0.00 0.31 0.00 1.02 0.00 0.00 30.24 31.57 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ot4 n PHE 33 N 0.00 1.30 -4.51 1.08 3.01 -1.26 -4.96 117.46 112.12 1ot4 n PHE 33 Ca 0.00 -0.67 -0.25 0.00 1.01 0.00 0.00 57.45 57.54 1ot4 n PHE 33 Cb 0.00 -0.27 -0.09 0.00 -0.01 0.00 0.00 39.48 39.12 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 -1.14 2.71 0.00 4.37 1.04 -1.26 -4.39 113.70 115.03 1ot4 s SER 34 Ca 0.46 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1ot4 s SER 34 Cb 0.31 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1ot4 s SER 34 CO 0.19 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1ot4 n GLY 35 N -0.86 2.66 3.69 7.32 0.00 -0.66 -4.98 105.19 112.37 1ot4 n GLY 35 Ca -0.06 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.28 -0.38 -0.22 4.61 0.00 -1.26 0.40 121.76 123.63 1ot4 s ALA 36 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 1ot4 s ALA 36 Cb 0.00 0.91 0.07 0.00 0.00 0.00 0.00 23.12 24.10 1ot4 s ALA 36 CO 0.00 -0.92 0.56 0.15 0.00 0.00 0.00 175.76 175.55 1ot4 s LYS 37 N -3.20 0.58 -0.10 0.00 1.02 0.12 -4.91 119.74 113.25 1ot4 s LYS 37 Ca 0.20 0.97 -0.07 0.00 0.02 0.00 0.00 55.97 57.09 1ot4 s LYS 37 Cb -0.03 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1ot4 s LYS 37 CO 0.12 -0.14 0.15 -1.17 -0.92 0.00 0.00 175.35 173.40 1ot4 s LEU 38 N 1.26 4.39 -0.03 3.17 2.96 -1.26 -1.09 118.68 128.07 1ot4 s LEU 38 Ca -0.08 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1ot4 s LEU 38 Cb -0.06 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.48 1ot4 s LEU 38 CO -0.13 0.38 -0.03 0.68 -1.32 0.00 0.00 176.35 175.94 1ot4 s VAL 39 N -1.08 0.38 -0.69 1.68 -7.23 -1.09 -0.79 120.40 111.58 1ot4 s VAL 39 Ca 0.17 -0.08 -0.19 0.00 -1.81 0.00 0.00 61.98 60.07 1ot4 s VAL 39 Cb -0.12 -0.40 0.11 0.00 0.56 0.00 0.00 36.38 36.53 1ot4 s VAL 39 CO 0.06 0.17 0.85 -0.32 -0.31 0.00 0.00 175.10 175.56 1ot4 s MET 40 N 0.66 3.21 -0.96 4.82 1.75 0.36 -0.82 119.30 128.32 1ot4 s MET 40 Ca -0.08 -1.37 -0.00 0.00 -1.25 0.00 0.00 55.69 52.99 1ot4 s MET 40 Cb -0.11 -4.39 0.32 0.00 2.84 0.00 0.00 34.83 33.49 1ot4 s MET 40 CO -0.00 -1.64 1.72 -2.37 -0.65 0.00 0.00 175.02 172.08 1ot4 n THR 41 N 5.51 5.65 0.18 10.11 5.66 -0.34 -3.32 114.28 137.73 1ot4 n THR 41 Ca -0.00 -5.89 -0.08 0.00 -3.05 0.00 0.00 64.05 55.04 1ot4 n THR 41 Cb 0.45 -1.52 -0.04 0.00 -1.55 0.00 0.00 70.33 67.67 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 h ALA 42 N 4.01 -0.64 -3.16 1.79 0.00 -1.69 -3.43 119.26 116.14 1ot4 h ALA 42 Ca 0.49 -0.11 -0.64 0.00 0.00 0.00 0.00 54.91 54.64 1ot4 h ALA 42 Cb 0.34 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 1ot4 h ALA 42 CO 1.14 -0.61 -0.77 -1.64 0.00 0.00 0.00 179.25 177.37 1ot4 s MET 43 N -3.32 1.83 -0.05 0.00 -1.94 -1.26 -4.75 119.30 109.80 1ot4 s MET 43 Ca -0.07 -1.35 -0.08 0.00 -1.71 0.00 0.00 55.69 52.47 1ot4 s MET 43 Cb 0.01 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.76 1ot4 s MET 43 CO 0.22 0.43 0.37 -1.00 -0.01 0.00 0.00 175.02 175.03 1ot4 h PRO 44 N 3.11 -0.29 0.00 2.03 0.13 -1.89 -3.41 132.00 131.68 1ot4 h PRO 44 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ot4 h PRO 44 Cb 1.20 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ot4 h PRO 44 CO 0.51 -0.19 0.00 0.41 -0.23 0.00 0.00 178.00 178.50 1ot4 n GLY 45 N 0.96 1.93 2.81 1.56 0.00 -1.26 -1.57 105.19 109.62 1ot4 n GLY 45 Ca -0.04 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 1.58 -0.82 1.61 -1.94 -1.26 -4.90 119.30 113.57 1ot4 s MET 46 Ca 0.00 -2.27 -0.00 0.00 -1.71 0.00 0.00 55.69 51.70 1ot4 s MET 46 Cb 0.00 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 34.08 1ot4 s MET 46 CO 0.00 -1.14 0.59 -1.91 -0.01 0.00 0.00 175.02 172.55 1ot4 n GLU 47 N 3.35 -1.53 -2.93 2.03 2.13 -1.26 -3.39 120.64 119.04 1ot4 n GLU 47 Ca 0.07 0.73 -0.05 0.00 0.66 0.00 0.00 57.16 58.57 1ot4 n GLU 47 Cb 0.33 -2.18 0.01 0.00 0.27 0.00 0.00 31.44 29.87 1ot4 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ot4 n HIS 48 N -2.61 -2.88 -3.87 4.31 8.25 -1.26 -4.96 115.22 112.20 1ot4 n HIS 48 Ca -0.33 1.24 -0.28 0.00 -0.26 0.00 0.00 57.72 58.10 1ot4 n HIS 48 Cb 0.69 -3.14 -0.12 0.00 1.12 0.00 0.00 29.99 28.54 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ot4 n SER 49 N 0.57 2.87 -4.79 0.41 7.64 -0.61 -5.04 113.62 114.67 1ot4 n SER 49 Ca 0.01 -3.18 -0.29 0.00 1.01 0.00 0.00 58.87 56.43 1ot4 n SER 49 Cb 0.27 -0.75 0.12 0.00 -1.01 0.00 0.00 64.21 62.84 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 -1.42 1.45 0.08 1.43 0.04 -1.26 -4.85 135.00 130.47 1ot4 s PRO 50 Ca 0.26 0.40 0.05 0.00 0.04 0.00 0.00 61.00 61.75 1ot4 s PRO 50 Cb -0.03 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1ot4 s PRO 50 CO -0.17 -2.00 -0.13 -1.64 0.04 0.00 0.00 177.00 173.09 1ot4 s MET 51 N -5.24 0.83 0.00 4.56 -1.94 -1.21 -4.99 119.30 111.31 1ot4 s MET 51 Ca 0.63 -1.00 -0.14 0.00 -1.71 0.00 0.00 55.69 53.47 1ot4 s MET 51 Cb -0.15 -0.77 -0.06 0.00 2.01 0.00 0.00 34.83 35.87 1ot4 s MET 51 CO 0.54 0.16 0.39 0.00 -0.01 0.00 0.00 175.02 176.10 1ot4 s ALA 52 N -1.51 3.71 0.23 3.03 0.00 -1.26 -0.49 121.76 125.47 1ot4 s ALA 52 Ca -0.00 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.79 1ot4 s ALA 52 Cb -0.09 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1ot4 s ALA 52 CO 0.02 0.50 0.02 0.54 0.00 0.00 0.00 175.76 176.83 1ot4 s VAL 53 N -1.12 3.63 -0.13 0.00 0.11 0.03 -4.90 120.40 118.04 1ot4 s VAL 53 Ca 0.24 -1.70 -0.19 0.00 -2.93 0.00 0.00 61.98 57.40 1ot4 s VAL 53 Cb -0.16 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 1ot4 s VAL 53 CO 0.13 -0.28 0.52 -0.75 -3.33 0.00 0.00 175.10 171.39 1ot4 s LYS 54 N -3.44 4.32 0.30 1.54 2.20 -1.26 -4.47 119.74 118.93 1ot4 s LYS 54 Ca 0.30 0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 56.30 1ot4 s LYS 54 Cb -0.08 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1ot4 s LYS 54 CO 0.20 0.09 0.55 0.00 -0.36 0.00 0.00 175.35 175.82 1ot4 s ALA 55 N 0.85 -0.13 0.04 3.13 0.00 -1.26 -3.56 121.76 120.83 1ot4 s ALA 55 Ca 0.27 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1ot4 s ALA 55 Cb -0.15 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 1ot4 s ALA 55 CO 0.11 -0.87 -0.10 0.00 0.00 0.00 0.00 175.76 174.90 1ot4 s ALA 56 N -3.45 0.79 -0.20 0.00 0.00 -0.97 -4.87 121.76 113.05 1ot4 s ALA 56 Ca 0.23 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 1ot4 s ALA 56 Cb -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 1ot4 s ALA 56 CO 0.12 0.08 -0.08 0.14 0.00 0.00 0.00 175.76 176.02 1ot4 s VAL 57 N -1.13 3.12 0.47 0.00 -7.23 -1.26 -0.61 120.40 113.77 1ot4 s VAL 57 Ca -0.05 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1ot4 s VAL 57 Cb -0.09 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1ot4 s VAL 57 CO 0.01 0.45 0.01 -0.44 -0.31 0.00 0.00 175.10 174.82 1ot4 s SER 58 N 1.32 4.05 0.05 4.85 0.01 0.48 -4.98 113.70 119.47 1ot4 s SER 58 Ca 0.04 -1.55 0.03 0.00 1.31 0.00 0.00 55.95 55.78 1ot4 s SER 58 Cb -0.14 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 1ot4 s SER 58 CO -0.04 -0.71 -0.09 -0.83 0.41 0.00 0.00 173.24 171.98 1ot4 s GLY 59 N -3.82 0.58 0.00 3.44 0.00 -1.26 0.14 107.32 106.40 1ot4 s GLY 59 Ca 0.16 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1ot4 s GLY 59 CO 0.08 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.93 1ot4 n GLY 60 N 1.42 -1.49 0.34 0.20 0.00 -0.21 -4.86 105.19 100.58 1ot4 n GLY 60 Ca -0.22 -1.51 0.17 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.02 0.00 -4.28 -0.02 0.00 -2.02 -3.41 103.07 93.32 1ot4 h GLY 61 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1ot4 h GLY 61 CO 0.00 0.00 -0.78 0.99 0.00 0.00 0.00 176.54 176.75 1ot4 s ASP 62 N -6.03 4.03 0.00 0.19 1.01 -1.26 -5.00 116.67 109.62 1ot4 s ASP 62 Ca -0.05 -0.45 0.24 0.00 0.71 0.00 0.00 52.55 53.00 1ot4 s ASP 62 Cb 0.16 -0.67 1.37 0.00 1.01 0.00 0.00 42.92 44.80 1ot4 s ASP 62 CO 0.60 0.21 1.79 -0.81 0.21 0.00 0.00 175.17 177.17 1ot4 n PRO 63 N 1.04 0.65 0.12 8.23 -0.04 -1.26 -2.16 135.00 141.58 1ot4 n PRO 63 Ca -0.15 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1ot4 n PRO 63 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -5.10 0.54 2.10 -1.86 -3.42 116.57 108.83 1ot4 h LYS 64 Ca 0.00 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.01 1ot4 h LYS 64 Cb 0.05 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.16 1ot4 h LYS 64 CO 0.00 0.04 -0.64 0.99 -2.00 0.00 0.00 179.45 177.84 1ot4 s THR 65 N -3.29 4.16 0.21 0.07 2.01 -0.92 -1.38 115.64 116.50 1ot4 s THR 65 Ca 0.01 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 61.87 1ot4 s THR 65 Cb 0.09 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1ot4 s THR 65 CO 0.77 0.41 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.94 1ot4 s MET 66 N 1.06 1.90 -0.13 4.92 -1.94 -0.22 -1.04 119.30 123.85 1ot4 s MET 66 Ca 0.03 -1.43 -0.05 0.00 -1.71 0.00 0.00 55.69 52.53 1ot4 s MET 66 Cb -0.14 -2.02 0.06 0.00 2.01 0.00 0.00 34.83 34.74 1ot4 s MET 66 CO 0.02 0.40 0.28 0.14 -0.01 0.00 0.00 175.02 175.85 1ot4 s VAL 67 N -1.90 -0.33 -0.20 -6.03 -7.23 0.12 0.14 120.40 104.97 1ot4 s VAL 67 Ca 0.25 0.24 -0.17 0.00 -1.81 0.00 0.00 61.98 60.49 1ot4 s VAL 67 Cb -0.08 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 1ot4 s VAL 67 CO 0.14 0.10 0.45 -0.63 -0.31 0.00 0.00 175.10 174.86 1ot4 s ILE 68 N 2.13 5.16 -0.31 -0.62 1.09 0.43 -0.39 121.20 128.69 1ot4 s ILE 68 Ca -0.02 0.82 0.01 0.00 -1.10 0.00 0.00 60.65 60.36 1ot4 s ILE 68 Cb -0.11 -3.78 0.10 0.00 -1.06 0.00 0.00 42.46 37.60 1ot4 s ILE 68 CO -0.09 0.22 0.07 -0.89 -0.10 0.00 0.00 174.94 174.15 1ot4 s THR 69 N 1.44 1.34 0.17 2.92 2.01 0.22 -0.34 115.64 123.39 1ot4 s THR 69 Ca 0.21 -1.64 -0.30 0.00 0.31 0.00 0.00 61.69 60.28 1ot4 s THR 69 Cb -0.15 -1.96 -0.07 0.00 0.01 0.00 0.00 72.50 70.33 1ot4 s THR 69 CO 0.09 -0.59 1.12 -2.16 -0.69 0.00 0.00 174.62 172.39 1ot4 s PRO 70 N 1.39 4.56 0.10 4.92 0.04 -1.26 -2.30 135.00 142.46 1ot4 s PRO 70 Ca 0.08 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1ot4 s PRO 70 Cb -0.18 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.98 1ot4 s PRO 70 CO -0.18 0.02 1.39 0.00 0.04 0.00 0.00 177.00 178.27 1ot4 h ALA 71 N 5.28 0.42 -2.53 8.56 0.00 -1.90 -3.44 119.26 125.65 1ot4 h ALA 71 Ca -0.44 -0.46 -0.48 0.00 0.00 0.00 0.00 54.91 53.52 1ot4 h ALA 71 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ot4 h ALA 71 CO 0.73 0.54 0.40 0.45 0.00 0.00 0.00 179.25 181.37 1ot4 s SER 72 N -6.74 7.04 0.06 0.00 0.15 -1.25 -5.00 113.70 107.96 1ot4 s SER 72 Ca -0.12 2.00 -0.30 0.00 0.70 0.00 0.00 55.95 58.23 1ot4 s SER 72 Cb 0.09 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1ot4 s SER 72 CO 0.86 -0.29 1.16 -2.16 1.20 0.00 0.00 173.24 174.01 1ot4 s PRO 73 N -2.18 4.46 -0.32 5.44 0.04 -1.26 -4.99 135.00 136.19 1ot4 s PRO 73 Ca 0.53 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 63.03 1ot4 s PRO 73 Cb -0.22 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1ot4 s PRO 73 CO 0.28 -0.20 0.93 -0.51 0.04 0.00 0.00 177.00 177.54 1ot4 s LEU 74 N 0.93 4.02 0.38 -3.56 1.43 -1.26 -5.03 118.68 115.59 1ot4 s LEU 74 Ca 0.57 0.84 0.07 0.00 -1.03 0.00 0.00 54.13 54.58 1ot4 s LEU 74 Cb -0.28 -3.31 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 1ot4 s LEU 74 CO 0.30 -0.76 0.51 0.42 0.23 0.00 0.00 176.35 177.05 1ot4 s THR 75 N 3.31 3.41 1.02 5.49 -4.23 -1.26 -4.71 115.64 118.67 1ot4 s THR 75 Ca 0.39 -1.04 -0.22 0.00 -1.18 0.00 0.00 61.69 59.64 1ot4 s THR 75 Cb -0.13 -3.16 -0.09 0.00 1.34 0.00 0.00 72.50 70.45 1ot4 s THR 75 CO 0.14 -0.07 -0.81 0.00 -0.54 0.00 0.00 174.62 173.35 1ot4 n ALA 76 N -1.73 -5.02 0.00 3.99 0.00 -1.26 -4.80 120.51 111.70 1ot4 n ALA 76 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1ot4 n ALA 76 Cb 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 2.94 0.38 2.92 0.00 0.00 -0.05 -4.87 105.19 106.51 1ot4 n GLY 77 Ca -0.00 -2.08 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.35 0.44 0.06 2.61 2.01 -1.26 0.34 115.64 119.49 1ot4 s THR 78 Ca 0.00 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 1ot4 s THR 78 Cb 0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1ot4 s THR 78 CO 0.00 0.17 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.74 1ot4 s TYR 79 N 0.41 0.60 -0.18 4.92 1.51 -0.62 -1.20 117.35 122.78 1ot4 s TYR 79 Ca -0.05 -0.96 -0.02 0.00 -1.01 0.00 0.00 57.07 55.03 1ot4 s TYR 79 Cb -0.08 -0.40 0.05 0.00 -0.11 0.00 0.00 41.96 41.42 1ot4 s TYR 79 CO -0.00 -0.29 0.03 0.21 -1.11 0.00 0.00 175.55 174.38 1ot4 s LYS 80 N -3.58 0.70 -0.43 -0.62 2.20 -0.00 -1.19 119.74 116.81 1ot4 s LYS 80 Ca 0.05 -0.37 -0.25 0.00 -0.36 0.00 0.00 55.97 55.05 1ot4 s LYS 80 Cb 0.05 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.43 1ot4 s LYS 80 CO -0.07 -0.59 0.89 0.08 -0.36 0.00 0.00 175.35 175.30 1ot4 s VAL 81 N 1.86 4.55 -0.29 4.02 1.01 -0.15 -2.68 120.40 128.72 1ot4 s VAL 81 Ca -0.00 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 62.68 1ot4 s VAL 81 Cb -0.16 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1ot4 s VAL 81 CO -0.08 -0.72 0.13 -1.81 0.00 0.00 0.00 175.10 172.63 1ot4 s ASP 82 N 2.13 5.46 -0.08 3.32 1.11 -0.25 0.51 116.67 128.87 1ot4 s ASP 82 Ca 0.35 -0.39 -0.03 0.00 0.18 0.00 0.00 52.55 52.66 1ot4 s ASP 82 Cb -0.11 -1.99 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 1ot4 s ASP 82 CO 0.23 -0.13 0.05 -1.66 1.18 0.00 0.00 175.17 174.84 1ot4 s TRP 83 N 1.62 3.29 -0.28 4.23 1.48 0.02 0.16 118.94 129.47 1ot4 s TRP 83 Ca 0.05 0.28 0.01 0.00 -1.06 0.00 0.00 56.10 55.38 1ot4 s TRP 83 Cb -0.16 -1.82 0.05 0.00 -1.16 0.00 0.00 33.47 30.38 1ot4 s TRP 83 CO 0.06 0.55 -0.06 1.03 -4.06 0.00 0.00 176.95 174.47 1ot4 s ARG 84 N -1.08 2.37 -0.99 3.25 3.00 0.16 0.25 118.95 125.91 1ot4 s ARG 84 Ca 0.16 -1.28 -0.15 0.00 0.00 0.00 0.00 55.73 54.46 1ot4 s ARG 84 Cb -0.12 -3.01 0.19 0.00 0.00 0.00 0.00 34.95 32.01 1ot4 s ARG 84 CO 0.05 -0.58 1.09 0.00 0.00 0.00 0.00 175.30 175.86 1ot4 s ALA 85 N 1.18 3.97 0.05 2.13 0.00 0.18 -1.65 121.76 127.61 1ot4 s ALA 85 Ca -0.07 -3.26 -0.23 0.00 0.00 0.00 0.00 51.96 48.41 1ot4 s ALA 85 Cb -0.20 -3.82 -0.06 0.00 0.00 0.00 0.00 23.12 19.04 1ot4 s ALA 85 CO -0.03 -2.59 0.69 0.54 0.00 0.00 0.00 175.76 174.37 1ot4 s VAL 86 N 0.98 4.74 0.00 0.00 0.11 -1.26 -1.44 120.40 123.53 1ot4 s VAL 86 Ca 0.30 1.47 0.00 0.00 -2.93 0.00 0.00 61.98 60.82 1ot4 s VAL 86 Cb -0.07 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1ot4 s VAL 86 CO -0.07 0.42 0.00 -1.54 -3.33 0.00 0.00 175.10 170.58 1ot4 n SER 87 N 2.50 0.00 -0.66 3.54 3.41 -1.26 -4.25 113.62 116.90 1ot4 n SER 87 Ca -0.05 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 1ot4 n SER 87 Cb 0.50 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.00 -3.96 -4.56 4.04 7.64 -1.26 -4.48 113.62 111.04 1ot4 n SER 88 Ca 0.00 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 1ot4 n SER 88 Cb 0.00 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ot4 s ASP 89 N -4.13 6.32 0.21 6.43 2.15 -1.26 -4.90 116.67 121.48 1ot4 s ASP 89 Ca 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1ot4 s ASP 89 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1ot4 s ASP 89 CO 0.00 -1.60 0.00 0.35 -0.17 0.00 0.00 175.17 173.75 1ot4 n THR 90 N 6.49 0.00 -3.78 1.71 -2.24 -1.26 -4.84 114.28 110.37 1ot4 n THR 90 Ca 0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 1ot4 n THR 90 Cb 0.49 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1ot4 n THR 90 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ot4 n HIS 91 N -0.04 -1.90 -0.94 4.78 -0.00 -1.26 -4.83 115.22 111.02 1ot4 n HIS 91 Ca 0.00 0.52 -0.08 0.00 -0.00 0.00 0.00 57.72 58.17 1ot4 n HIS 91 Cb 0.00 -3.09 0.06 0.00 -0.00 0.00 0.00 29.99 26.96 1ot4 n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ot4 n PRO 92 N -3.72 -0.95 -3.64 1.57 -0.04 -1.26 -4.93 135.00 122.02 1ot4 n PRO 92 Ca -0.16 -0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 62.56 1ot4 n PRO 92 Cb 0.61 -0.39 -0.17 0.00 -0.04 0.00 0.00 33.50 33.50 1ot4 n PRO 92 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ot4 s ILE 93 N -1.64 -0.05 0.38 0.52 1.10 -0.52 -5.03 121.20 115.95 1ot4 s ILE 93 Ca 0.19 0.05 0.08 0.00 -0.51 0.00 0.00 60.65 60.46 1ot4 s ILE 93 Cb -0.01 -0.44 -0.06 0.00 0.15 0.00 0.00 42.46 42.10 1ot4 s ILE 93 CO 0.14 -0.09 0.09 0.42 -2.11 0.00 0.00 174.94 173.39 1ot4 s THR 94 N 2.13 2.44 0.30 4.00 -4.23 -1.26 0.49 115.64 119.51 1ot4 s THR 94 Ca 0.03 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1ot4 s THR 94 Cb -0.14 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1ot4 s THR 94 CO -0.07 -0.09 0.49 -0.83 -0.54 0.00 0.00 174.62 173.58 1ot4 s GLY 95 N -3.80 0.98 -0.04 3.99 0.00 0.14 -4.92 107.32 103.66 1ot4 s GLY 95 Ca 0.38 -1.19 -0.09 0.00 0.00 0.00 0.00 44.72 43.82 1ot4 s GLY 95 CO 0.21 -0.80 0.21 -0.56 0.00 0.00 0.00 173.10 172.15 1ot4 s SER 96 N -3.12 -0.14 -0.29 1.64 0.01 -1.26 -0.80 113.70 109.73 1ot4 s SER 96 Ca 0.26 0.18 -0.02 0.00 1.31 0.00 0.00 55.95 57.68 1ot4 s SER 96 Cb -0.01 0.35 0.09 0.00 0.21 0.00 0.00 66.02 66.67 1ot4 s SER 96 CO 0.14 -0.23 0.09 -0.69 0.41 0.00 0.00 173.24 172.97 1ot4 s VAL 97 N -0.59 0.69 0.19 3.43 1.01 0.18 -4.95 120.40 120.37 1ot4 s VAL 97 Ca -0.07 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.49 1ot4 s VAL 97 Cb -0.04 -1.49 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 1ot4 s VAL 97 CO 0.01 -0.62 0.76 0.28 0.00 0.00 0.00 175.10 175.53 1ot4 s THR 98 N 1.72 4.46 -0.11 3.92 -1.32 -1.26 -0.98 115.64 122.06 1ot4 s THR 98 Ca 0.08 1.52 -0.26 0.00 -1.21 0.00 0.00 61.69 61.82 1ot4 s THR 98 Cb -0.17 -4.01 0.06 0.00 -1.51 0.00 0.00 72.50 66.88 1ot4 s THR 98 CO -0.25 0.38 0.63 0.72 -2.21 0.00 0.00 174.62 173.89 1ot4 s PHE 99 N -1.33 -0.62 0.49 9.09 -0.12 -0.34 0.37 117.98 125.53 1ot4 s PHE 99 Ca 0.39 1.25 0.05 0.00 -0.05 0.00 0.00 56.93 58.57 1ot4 s PHE 99 Cb -0.20 0.32 0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1ot4 s PHE 99 CO 0.24 -0.49 0.68 0.15 -0.05 0.00 0.00 175.22 175.74 1ot4 s LYS 100 N -0.68 2.62 -0.06 1.99 1.02 0.17 -1.59 119.74 123.22 1ot4 s LYS 100 Ca -0.08 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 54.79 1ot4 s LYS 100 Cb -0.02 -2.63 0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1ot4 s LYS 100 CO 0.06 -0.54 0.12 0.08 -0.92 0.00 0.00 175.35 174.16 1ot4 s VAL 101 N -2.56 -0.14 0.00 3.17 1.01 0.15 -3.69 120.40 118.34 1ot4 s VAL 101 Ca 0.57 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1ot4 s VAL 101 Cb -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1ot4 s VAL 101 CO 0.36 0.12 0.33 0.29 0.00 0.00 0.00 175.10 176.20