#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 n PRO 2 N 0.00 2.26 -3.75 -0.41 -0.04 -1.26 -4.74 135.00 127.06 1ot4 n PRO 2 Ca 0.00 -1.36 -0.13 0.00 -0.04 0.00 0.00 63.50 61.97 1ot4 n PRO 2 Cb 0.00 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.05 1ot4 n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ot4 s LYS 3 N 2.31 0.44 -0.40 0.54 2.20 -1.26 -4.91 119.74 118.67 1ot4 s LYS 3 Ca 0.52 0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 56.20 1ot4 s LYS 3 Cb 0.18 0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.62 1ot4 s LYS 3 CO -0.03 -0.07 2.30 -0.11 -0.36 0.00 0.00 175.35 177.08 1ot4 n LEU 4 N 2.65 2.36 0.03 5.43 -0.00 -1.26 -4.84 117.00 121.36 1ot4 n LEU 4 Ca -0.14 0.10 -0.03 0.00 -0.00 0.00 0.00 56.01 55.94 1ot4 n LEU 4 Cb 0.57 -1.40 -0.02 0.00 -0.00 0.00 0.00 43.42 42.58 1ot4 n LEU 4 CO 0.16 -0.93 0.50 0.58 -0.00 0.00 0.00 177.39 177.70 1ot4 h VAL 5 N 7.34 0.00 -2.67 1.96 2.07 -1.90 -3.45 116.25 119.60 1ot4 h VAL 5 Ca -0.29 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1ot4 h VAL 5 Cb 1.28 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.85 1ot4 h VAL 5 CO 1.07 0.00 -0.12 -0.44 0.02 0.00 0.00 177.57 178.09 1ot4 s SER 6 N -2.77 -0.37 0.24 0.57 0.01 -1.24 -5.06 113.70 105.08 1ot4 s SER 6 Ca -0.03 0.40 -0.18 0.00 1.31 0.00 0.00 55.95 57.45 1ot4 s SER 6 Cb 0.01 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.74 1ot4 s SER 6 CO 0.10 -0.45 0.60 -0.94 0.41 0.00 0.00 173.24 172.96 1ot4 s SER 7 N -1.04 -0.25 -0.37 2.44 1.04 -1.26 0.74 113.70 114.99 1ot4 s SER 7 Ca -0.11 -0.59 0.13 0.00 0.48 0.00 0.00 55.95 55.87 1ot4 s SER 7 Cb -0.03 0.64 0.38 0.00 0.10 0.00 0.00 66.02 67.11 1ot4 s SER 7 CO 0.05 -1.18 0.81 0.41 0.98 0.00 0.00 173.24 174.32 1ot4 n THR 8 N -0.40 0.43 0.01 2.02 -1.04 0.14 -4.91 114.28 110.53 1ot4 n THR 8 Ca -0.06 -4.27 -0.01 0.00 -2.04 0.00 0.00 64.05 57.67 1ot4 n THR 8 Cb 0.61 -0.13 -0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 -0.03 0.00 -2.82 0.13 -1.86 -1.17 132.00 129.23 1ot4 h PRO 9 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ot4 h PRO 9 Cb 0.99 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ot4 h PRO 9 CO 0.53 -0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 1ot4 n ALA 10 N -2.08 0.00 -1.39 -0.56 0.00 -1.26 -4.52 120.51 110.69 1ot4 n ALA 10 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.94 1ot4 n ALA 10 Cb 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 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 0.08 -3.76 0.00 1.02 -1.26 0.28 120.64 117.00 1ot4 n GLU 11 Ca 0.00 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 1ot4 n GLU 11 Cb 0.00 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 29.76 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 6.91 -0.40 3.55 0.62 0.00 0.21 -4.73 105.19 111.35 1ot4 n GLY 12 Ca 0.59 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.73 5.19 -0.24 1.61 0.01 0.14 -4.72 113.70 112.96 1ot4 s SER 13 Ca 0.55 -0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.60 1ot4 s SER 13 Cb -0.32 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.33 1ot4 s SER 13 CO 0.68 -2.57 0.07 -1.61 0.41 0.00 0.00 173.24 170.22 1ot4 s GLU 14 N 7.06 3.72 0.00 12.44 2.02 -1.26 0.17 118.70 142.84 1ot4 s GLU 14 Ca 0.69 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1ot4 s GLU 14 Cb -0.10 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1ot4 s GLU 14 CO 0.10 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1ot4 n GLY 15 N 4.71 3.81 3.59 -1.39 0.00 -1.21 -4.94 105.19 109.77 1ot4 n GLY 15 Ca -0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.05 0.16 4.61 0.00 -1.23 -0.87 121.76 122.39 1ot4 s ALA 16 Ca 0.00 1.31 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 1ot4 s ALA 16 Cb 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 1ot4 s ALA 16 CO 0.00 -0.70 0.76 0.00 0.00 0.00 0.00 175.76 175.82 1ot4 s ALA 17 N -2.56 3.46 0.80 0.00 0.00 -1.26 -4.67 121.76 117.53 1ot4 s ALA 17 Ca 0.10 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 1ot4 s ALA 17 Cb -0.00 -2.94 0.07 0.00 0.00 0.00 0.00 23.12 20.25 1ot4 s ALA 17 CO -0.05 0.29 1.10 -1.25 0.00 0.00 0.00 175.76 175.85 1ot4 s PRO 18 N -1.12 2.08 0.03 0.00 0.04 -1.26 -4.99 135.00 129.78 1ot4 s PRO 18 Ca 0.35 0.63 -0.24 0.00 0.04 0.00 0.00 61.00 61.79 1ot4 s PRO 18 Cb -0.23 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 1ot4 s PRO 18 CO 0.26 -1.62 1.45 0.00 0.04 0.00 0.00 177.00 177.13 1ot4 h ALA 19 N -1.09 0.04 -2.38 8.56 0.00 -1.97 -3.47 119.26 118.96 1ot4 h ALA 19 Ca -0.47 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1ot4 h ALA 19 Cb 1.27 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.87 1ot4 h ALA 19 CO 0.59 -0.30 -0.01 -1.59 0.00 0.00 0.00 179.25 177.95 1ot4 s LYS 20 N -4.98 0.95 0.19 0.00 -2.85 -1.26 -4.67 119.74 107.12 1ot4 s LYS 20 Ca -0.15 -0.12 -0.23 0.00 -1.00 0.00 0.00 55.97 54.47 1ot4 s LYS 20 Cb 0.04 0.43 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 1ot4 s LYS 20 CO 0.68 -0.32 0.75 0.42 0.10 0.00 0.00 175.35 176.98 1ot4 s ILE 21 N -1.92 4.47 0.14 3.79 1.09 0.36 -4.85 121.20 124.27 1ot4 s ILE 21 Ca -0.08 1.50 0.10 0.00 -1.10 0.00 0.00 60.65 61.06 1ot4 s ILE 21 Cb -0.01 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 1ot4 s ILE 21 CO 0.02 0.36 -0.19 -1.61 -0.10 0.00 0.00 174.94 173.43 1ot4 s GLU 22 N -1.56 1.74 -0.09 2.79 2.02 -0.44 -0.35 118.70 122.81 1ot4 s GLU 22 Ca 0.39 -1.27 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 1ot4 s GLU 22 Cb -0.20 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.01 1ot4 s GLU 22 CO 0.23 0.46 0.27 -0.51 0.02 0.00 0.00 175.26 175.73 1ot4 s LEU 23 N -2.33 0.97 0.11 1.80 1.43 0.88 0.25 118.68 121.79 1ot4 s LEU 23 Ca 0.19 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1ot4 s LEU 23 Cb -0.10 0.96 -0.04 0.00 0.03 0.00 0.00 46.19 47.04 1ot4 s LEU 23 CO 0.10 -0.14 -0.08 -1.00 0.23 0.00 0.00 176.35 175.46 1ot4 s HIS 24 N -0.06 1.02 -0.22 0.29 3.76 0.23 -0.39 115.29 119.92 1ot4 s HIS 24 Ca -0.02 -0.80 -0.13 0.00 -0.15 0.00 0.00 55.06 53.96 1ot4 s HIS 24 Cb -0.02 -0.56 0.07 0.00 1.11 0.00 0.00 32.58 33.17 1ot4 s HIS 24 CO 0.01 -0.05 0.55 -0.06 -0.85 0.00 0.00 174.74 174.34 1ot4 s PHE 25 N -3.21 -0.82 0.24 1.40 0.08 -0.96 -3.62 117.98 111.09 1ot4 s PHE 25 Ca 0.11 1.69 0.14 0.00 0.12 0.00 0.00 56.93 58.99 1ot4 s PHE 25 Cb 0.02 0.43 0.51 0.00 -0.57 0.00 0.00 43.02 43.41 1ot4 s PHE 25 CO -0.02 -0.42 1.68 0.77 -0.10 0.00 0.00 175.22 177.12 1ot4 h SER 26 N 6.93 0.00 -3.35 1.36 0.02 -1.94 -3.44 113.55 113.13 1ot4 h SER 26 Ca -0.33 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 1ot4 h SER 26 Cb 1.20 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.51 1ot4 h SER 26 CO 0.22 0.51 -0.13 -0.70 -1.14 0.00 0.00 176.83 175.59 1ot4 s GLU 27 N -3.66 0.57 0.00 3.45 2.12 -1.26 -5.06 118.70 114.86 1ot4 s GLU 27 Ca -0.01 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1ot4 s GLU 27 Cb 0.12 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1ot4 s GLU 27 CO 0.73 -0.13 0.00 -1.71 -0.54 0.00 0.00 175.26 173.61 1ot4 n ASN 28 N 3.87 0.00 -3.64 -1.70 5.15 -1.26 -4.98 115.26 112.69 1ot4 n ASN 28 Ca -0.20 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.55 1ot4 n ASN 28 Cb 0.57 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ot4 n LEU 29 N -1.07 -1.20 0.00 1.20 7.94 -1.26 -4.69 117.00 117.91 1ot4 n LEU 29 Ca 0.00 -0.84 0.00 0.00 -1.11 0.00 0.00 56.01 54.06 1ot4 n LEU 29 Cb 0.00 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 42.67 1ot4 n LEU 29 CO 0.00 0.40 0.00 0.52 -1.11 0.00 0.00 177.39 177.20 1ot4 n VAL 30 N -2.59 0.00 -3.90 1.96 0.31 -1.26 -4.95 118.33 107.90 1ot4 n VAL 30 Ca -0.24 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1ot4 n VAL 30 Cb 0.54 -0.20 0.01 0.00 -0.91 0.00 0.00 33.84 33.29 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 -2.38 -1.83 0.00 2.52 5.66 -1.26 -4.86 114.28 112.13 1ot4 n THR 31 Ca 0.00 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1ot4 n THR 31 Cb 0.00 -1.57 0.00 0.00 -1.55 0.00 0.00 70.33 67.21 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 -3.53 0.00 -0.64 1.09 -0.06 -1.26 -4.77 117.38 108.21 1ot4 n GLN 32 Ca -0.10 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 54.98 1ot4 n GLN 32 Cb 0.40 -0.27 0.32 0.00 -4.06 0.00 0.00 30.24 26.63 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 -2.16 1.43 -3.05 3.69 3.72 -1.26 -4.97 117.46 114.85 1ot4 n PHE 33 Ca 0.00 -0.81 -0.39 0.00 -0.05 0.00 0.00 57.45 56.19 1ot4 n PHE 33 Cb 0.00 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.09 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 -1.44 7.22 0.04 4.37 1.04 -1.26 -4.74 113.70 118.92 1ot4 s SER 34 Ca 0.47 1.45 -0.06 0.00 0.48 0.00 0.00 55.95 58.29 1ot4 s SER 34 Cb 0.37 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 64.06 1ot4 s SER 34 CO 0.12 0.12 0.27 0.61 0.98 0.00 0.00 173.24 175.33 1ot4 n GLY 35 N 2.08 1.03 3.42 7.32 0.00 -0.33 -5.01 105.19 113.69 1ot4 n GLY 35 Ca -0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.26 -1.07 -0.20 4.61 0.00 -1.26 0.10 121.76 122.68 1ot4 s ALA 36 Ca 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1ot4 s ALA 36 Cb -0.01 0.80 0.08 0.00 0.00 0.00 0.00 23.12 23.99 1ot4 s ALA 36 CO 0.01 -0.73 0.45 0.15 0.00 0.00 0.00 175.76 175.64 1ot4 s LYS 37 N -3.82 0.40 -0.17 0.00 1.02 0.14 -4.94 119.74 112.36 1ot4 s LYS 37 Ca 0.05 0.98 -0.13 0.00 0.02 0.00 0.00 55.97 56.89 1ot4 s LYS 37 Cb 0.00 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 1ot4 s LYS 37 CO -0.09 -0.20 0.24 -1.17 -0.92 0.00 0.00 175.35 173.21 1ot4 s LEU 38 N 2.08 4.24 -0.04 3.17 2.96 -1.26 -0.92 118.68 128.90 1ot4 s LEU 38 Ca -0.06 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 1ot4 s LEU 38 Cb -0.10 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1ot4 s LEU 38 CO -0.14 0.13 -0.14 0.68 -1.32 0.00 0.00 176.35 175.56 1ot4 s VAL 39 N 0.40 1.21 -0.79 1.68 -7.23 -0.81 -0.38 120.40 114.48 1ot4 s VAL 39 Ca 0.14 -0.58 -0.19 0.00 -1.81 0.00 0.00 61.98 59.53 1ot4 s VAL 39 Cb -0.12 -1.05 0.12 0.00 0.56 0.00 0.00 36.38 35.88 1ot4 s VAL 39 CO 0.02 0.36 0.98 -0.32 -0.31 0.00 0.00 175.10 175.82 1ot4 s MET 40 N 0.17 3.37 -0.90 4.82 1.75 0.50 -0.03 119.30 128.99 1ot4 s MET 40 Ca -0.05 -1.51 0.01 0.00 -1.25 0.00 0.00 55.69 52.89 1ot4 s MET 40 Cb -0.11 -4.58 0.33 0.00 2.84 0.00 0.00 34.83 33.30 1ot4 s MET 40 CO 0.02 -1.70 1.57 -2.37 -0.65 0.00 0.00 175.02 171.89 1ot4 n THR 41 N 5.48 5.24 0.05 10.11 5.66 -0.37 -3.34 114.28 137.12 1ot4 n THR 41 Ca 0.10 -5.87 -0.08 0.00 -3.05 0.00 0.00 64.05 55.14 1ot4 n THR 41 Cb 0.47 -1.51 -0.05 0.00 -1.55 0.00 0.00 70.33 67.68 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 3.87 -0.77 -2.31 1.79 0.00 -1.59 -3.43 119.26 116.82 1ot4 h ALA 42 Ca 0.42 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 1ot4 h ALA 42 Cb 0.38 0.69 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1ot4 h ALA 42 CO 1.08 -0.84 -0.67 -1.64 0.00 0.00 0.00 179.25 177.18 1ot4 s MET 43 N -4.38 0.73 -1.24 0.00 -1.94 -1.26 -4.62 119.30 106.59 1ot4 s MET 43 Ca -0.08 -1.30 -0.20 0.00 -1.71 0.00 0.00 55.69 52.39 1ot4 s MET 43 Cb 0.03 0.21 -0.01 0.00 2.01 0.00 0.00 34.83 37.07 1ot4 s MET 43 CO 0.30 -0.16 1.84 -0.35 -0.01 0.00 0.00 175.02 176.64 1ot4 n PRO 44 N 0.03 2.42 0.22 2.03 -0.04 -1.26 -4.77 135.00 133.63 1ot4 n PRO 44 Ca -0.11 -2.87 -0.08 0.00 -0.04 0.00 0.00 63.50 60.39 1ot4 n PRO 44 Cb 0.62 -3.60 -0.04 0.00 -0.04 0.00 0.00 33.50 30.44 1ot4 n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ot4 h GLY 45 N 14.99 -0.58 -7.41 0.55 0.00 -1.96 -3.40 103.07 105.26 1ot4 h GLY 45 Ca 0.34 0.21 -0.64 0.00 0.00 0.00 0.00 47.33 47.25 1ot4 h GLY 45 CO 1.36 -0.21 -0.66 1.06 0.00 0.00 0.00 176.54 178.09 1ot4 s MET 46 N -4.12 1.77 -0.52 4.80 -1.94 -1.26 -4.90 119.30 113.12 1ot4 s MET 46 Ca -0.08 -2.36 -0.32 0.00 -1.71 0.00 0.00 55.69 51.22 1ot4 s MET 46 Cb 0.01 -3.17 0.05 0.00 2.01 0.00 0.00 34.83 33.73 1ot4 s MET 46 CO 0.24 -1.07 0.66 -1.91 -0.01 0.00 0.00 175.02 172.93 1ot4 n GLU 47 N 3.45 -1.86 -3.44 2.03 2.13 -1.26 -3.14 120.64 118.56 1ot4 n GLU 47 Ca 0.05 1.30 -0.31 0.00 0.66 0.00 0.00 57.16 58.86 1ot4 n GLU 47 Cb 0.35 -2.07 0.03 0.00 0.27 0.00 0.00 31.44 30.02 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 -0.66 -2.11 -3.88 4.31 1.44 -1.26 -4.93 115.22 108.13 1ot4 n HIS 48 Ca -0.13 0.89 -0.30 0.00 -2.01 0.00 0.00 57.72 56.16 1ot4 n HIS 48 Cb 0.69 -1.60 -0.14 0.00 0.12 0.00 0.00 29.99 29.06 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 -1.36 4.14 0.39 4.39 0.01 -1.19 -5.04 113.70 115.05 1ot4 s SER 49 Ca 0.30 -2.83 -0.24 0.00 1.31 0.00 0.00 55.95 54.49 1ot4 s SER 49 Cb -0.03 -1.44 -0.09 0.00 0.21 0.00 0.00 66.02 64.66 1ot4 s SER 49 CO 0.69 -0.25 1.06 -2.16 0.41 0.00 0.00 173.24 172.98 1ot4 s PRO 50 N 0.00 4.18 -0.13 12.44 0.04 -1.26 -4.75 135.00 145.52 1ot4 s PRO 50 Ca 0.17 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ot4 s PRO 50 Cb -0.25 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1ot4 s PRO 50 CO -0.01 -0.13 -0.14 -1.64 0.04 0.00 0.00 177.00 175.11 1ot4 s MET 51 N -2.45 3.33 0.25 4.56 -1.94 -1.21 -4.95 119.30 116.89 1ot4 s MET 51 Ca 0.57 -0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 53.54 1ot4 s MET 51 Cb -0.23 -2.60 -0.09 0.00 2.01 0.00 0.00 34.83 33.92 1ot4 s MET 51 CO 0.28 0.18 1.03 0.00 -0.01 0.00 0.00 175.02 176.50 1ot4 s ALA 52 N 0.42 3.37 0.37 3.03 0.00 -1.26 0.19 121.76 127.88 1ot4 s ALA 52 Ca -0.11 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.68 1ot4 s ALA 52 Cb -0.16 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1ot4 s ALA 52 CO 0.05 0.00 0.47 0.54 0.00 0.00 0.00 175.76 176.83 1ot4 s VAL 53 N -1.05 3.49 -0.41 0.00 0.11 0.49 -4.83 120.40 118.20 1ot4 s VAL 53 Ca 0.43 -1.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.21 1ot4 s VAL 53 Cb -0.29 -3.20 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 1ot4 s VAL 53 CO 0.36 -0.09 0.59 -0.54 -3.33 0.00 0.00 175.10 172.09 1ot4 s LYS 54 N -4.21 3.35 0.30 1.54 1.02 -1.26 -4.75 119.74 115.73 1ot4 s LYS 54 Ca 0.48 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 56.05 1ot4 s LYS 54 Cb -0.09 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 1ot4 s LYS 54 CO 0.31 -0.90 0.47 0.00 -0.92 0.00 0.00 175.35 174.31 1ot4 s ALA 55 N 2.63 0.32 0.01 5.17 0.00 -1.26 -2.40 121.76 126.23 1ot4 s ALA 55 Ca 0.20 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1ot4 s ALA 55 Cb -0.15 1.11 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 1ot4 s ALA 55 CO 0.17 -0.81 -0.03 0.00 0.00 0.00 0.00 175.76 175.08 1ot4 s ALA 56 N -3.46 0.21 -0.18 0.00 0.00 -0.52 -4.83 121.76 112.98 1ot4 s ALA 56 Ca 0.27 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1ot4 s ALA 56 Cb -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1ot4 s ALA 56 CO 0.15 -0.03 -0.03 0.14 0.00 0.00 0.00 175.76 175.99 1ot4 s VAL 57 N -0.67 3.75 0.02 0.00 -7.23 -1.26 -0.51 120.40 114.50 1ot4 s VAL 57 Ca -0.06 -0.39 -0.05 0.00 -1.81 0.00 0.00 61.98 59.67 1ot4 s VAL 57 Cb -0.05 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1ot4 s VAL 57 CO -0.00 0.46 0.09 -0.44 -0.31 0.00 0.00 175.10 174.89 1ot4 s SER 58 N 0.79 0.12 0.34 4.85 0.01 0.10 -5.01 113.70 114.90 1ot4 s SER 58 Ca -0.01 -0.37 -0.13 0.00 1.31 0.00 0.00 55.95 56.75 1ot4 s SER 58 Cb -0.14 0.19 -0.08 0.00 0.21 0.00 0.00 66.02 66.19 1ot4 s SER 58 CO 0.02 -0.40 0.73 -0.83 0.41 0.00 0.00 173.24 173.17 1ot4 s GLY 59 N -1.62 2.19 0.00 3.44 0.00 -1.26 0.74 107.32 110.81 1ot4 s GLY 59 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1ot4 s GLY 59 CO -0.01 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.82 1ot4 n GLY 60 N -0.66 1.14 0.36 0.20 0.00 0.13 -4.81 105.19 101.55 1ot4 n GLY 60 Ca 0.03 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.29 -3.55 -0.02 0.00 -1.99 -3.41 103.07 93.81 1ot4 h GLY 61 Ca 0.00 0.48 -0.50 0.00 0.00 0.00 0.00 47.33 47.31 1ot4 h GLY 61 CO 0.00 -0.19 -0.45 0.99 0.00 0.00 0.00 176.54 176.89 1ot4 s ASP 62 N -5.13 6.30 0.14 0.19 1.11 -1.26 -4.99 116.67 113.02 1ot4 s ASP 62 Ca -0.14 0.10 0.24 0.00 0.18 0.00 0.00 52.55 52.92 1ot4 s ASP 62 Cb 0.14 -1.86 0.91 0.00 1.07 0.00 0.00 42.92 43.18 1ot4 s ASP 62 CO 0.68 -0.02 1.73 -0.81 1.18 0.00 0.00 175.17 177.92 1ot4 n PRO 63 N -1.04 0.13 0.08 8.23 -0.04 -1.26 -2.16 135.00 138.94 1ot4 n PRO 63 Ca -0.08 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1ot4 n PRO 63 Cb 0.56 -1.70 0.29 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.93 0.27 -3.78 0.54 2.85 -1.26 -4.71 118.16 110.13 1ot4 n LYS 64 Ca 0.04 0.14 -0.36 0.00 -1.05 0.00 0.00 58.31 57.08 1ot4 n LYS 64 Cb 0.30 -1.73 -0.13 0.00 -0.65 0.00 0.00 35.03 32.82 1ot4 n LYS 64 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ot4 s THR 65 N -3.13 4.08 0.23 0.58 2.01 -0.92 -2.27 115.64 116.23 1ot4 s THR 65 Ca 0.08 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.83 1ot4 s THR 65 Cb 0.13 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1ot4 s THR 65 CO 0.66 0.32 0.30 -0.04 -0.69 0.00 0.00 174.62 175.17 1ot4 s MET 66 N 1.57 3.27 -0.20 4.92 -1.94 0.48 0.22 119.30 127.62 1ot4 s MET 66 Ca 0.06 -0.83 -0.09 0.00 -1.71 0.00 0.00 55.69 53.11 1ot4 s MET 66 Cb -0.15 -2.79 0.08 0.00 2.01 0.00 0.00 34.83 33.98 1ot4 s MET 66 CO 0.02 0.43 0.46 0.54 -0.01 0.00 0.00 175.02 176.46 1ot4 s VAL 67 N -1.99 -0.39 -0.25 -6.03 0.11 0.23 -0.08 120.40 111.99 1ot4 s VAL 67 Ca 0.34 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.40 1ot4 s VAL 67 Cb -0.09 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1ot4 s VAL 67 CO 0.28 0.05 0.15 -0.63 -3.33 0.00 0.00 175.10 171.61 1ot4 s ILE 68 N 2.11 5.15 -0.24 7.04 1.09 0.53 -0.73 121.20 136.16 1ot4 s ILE 68 Ca -0.06 0.11 0.02 0.00 -1.10 0.00 0.00 60.65 59.62 1ot4 s ILE 68 Cb -0.10 -3.41 0.05 0.00 -1.06 0.00 0.00 42.46 37.94 1ot4 s ILE 68 CO -0.14 0.33 -0.12 -0.89 -0.10 0.00 0.00 174.94 174.02 1ot4 s THR 69 N 1.25 2.02 0.19 2.92 2.01 0.33 -0.49 115.64 123.88 1ot4 s THR 69 Ca 0.07 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.37 1ot4 s THR 69 Cb -0.14 -2.09 -0.08 0.00 0.01 0.00 0.00 72.50 70.20 1ot4 s THR 69 CO 0.06 0.09 1.11 -2.16 -0.69 0.00 0.00 174.62 173.03 1ot4 s PRO 70 N 1.20 4.59 0.43 4.92 0.04 -1.26 -1.44 135.00 143.47 1ot4 s PRO 70 Ca -0.05 1.75 0.23 0.00 0.04 0.00 0.00 61.00 62.97 1ot4 s PRO 70 Cb -0.18 -3.26 0.58 0.00 0.04 0.00 0.00 34.50 31.68 1ot4 s PRO 70 CO -0.07 0.07 1.68 0.00 0.04 0.00 0.00 177.00 178.73 1ot4 h ALA 71 N 4.98 0.93 -3.31 8.56 0.00 -1.80 -3.45 119.26 125.19 1ot4 h ALA 71 Ca -0.45 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 53.68 1ot4 h ALA 71 Cb 1.21 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1ot4 h ALA 71 CO 0.72 0.19 -0.75 0.45 0.00 0.00 0.00 179.25 179.86 1ot4 s SER 72 N -6.17 4.12 -0.02 0.00 0.15 -1.22 -5.07 113.70 105.49 1ot4 s SER 72 Ca 0.04 -0.56 -0.30 0.00 0.70 0.00 0.00 55.95 55.83 1ot4 s SER 72 Cb 0.07 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.68 1ot4 s SER 72 CO 0.66 0.14 1.20 -2.16 1.20 0.00 0.00 173.24 174.28 1ot4 s PRO 73 N -2.53 4.38 -0.24 5.44 0.04 -1.26 -4.98 135.00 135.85 1ot4 s PRO 73 Ca 0.22 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 1ot4 s PRO 73 Cb -0.10 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 1ot4 s PRO 73 CO 0.13 -0.38 1.33 -0.51 0.04 0.00 0.00 177.00 177.61 1ot4 s LEU 74 N 1.84 3.99 0.68 -3.56 1.43 -1.26 -5.01 118.68 116.80 1ot4 s LEU 74 Ca 0.57 1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 55.06 1ot4 s LEU 74 Cb -0.26 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.50 1ot4 s LEU 74 CO 0.24 -0.99 0.96 0.42 0.23 0.00 0.00 176.35 177.22 1ot4 s THR 75 N 4.16 2.34 0.98 5.49 -4.23 -1.26 -4.65 115.64 118.46 1ot4 s THR 75 Ca 0.58 -0.43 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 1ot4 s THR 75 Cb -0.20 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.79 1ot4 s THR 75 CO 0.21 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.70 1ot4 n ALA 76 N -2.80 -2.72 0.00 3.99 0.00 -1.26 -4.71 120.51 113.00 1ot4 n ALA 76 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1ot4 n ALA 76 Cb 0.60 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.48 0.53 2.99 0.00 0.00 0.85 -4.85 105.19 106.19 1ot4 n GLY 77 Ca 0.06 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.01 0.77 0.06 2.61 2.01 -1.26 0.44 115.64 119.26 1ot4 s THR 78 Ca 0.00 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1ot4 s THR 78 Cb 0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1ot4 s THR 78 CO 0.00 0.25 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.80 1ot4 s TYR 79 N 0.27 0.69 -0.21 4.92 1.51 -0.55 -1.23 117.35 122.74 1ot4 s TYR 79 Ca -0.04 -0.68 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 1ot4 s TYR 79 Cb -0.09 -0.42 0.04 0.00 -0.11 0.00 0.00 41.96 41.38 1ot4 s TYR 79 CO 0.01 -0.14 -0.12 0.15 -1.11 0.00 0.00 175.55 174.33 1ot4 s LYS 80 N -2.46 2.29 -0.68 -0.62 -0.14 0.95 -1.23 119.74 117.85 1ot4 s LYS 80 Ca -0.02 -1.00 -0.20 0.00 -1.36 0.00 0.00 55.97 53.39 1ot4 s LYS 80 Cb -0.04 -2.60 0.10 0.00 -1.68 0.00 0.00 37.83 33.62 1ot4 s LYS 80 CO -0.02 -0.43 0.87 0.08 -0.76 0.00 0.00 175.35 175.09 1ot4 s VAL 81 N 1.28 4.66 -0.29 3.17 1.01 -0.11 -1.93 120.40 128.20 1ot4 s VAL 81 Ca -0.02 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 1ot4 s VAL 81 Cb -0.17 -4.61 -0.00 0.00 0.00 0.00 0.00 36.38 31.60 1ot4 s VAL 81 CO -0.08 -1.30 0.75 -1.81 0.00 0.00 0.00 175.10 172.66 1ot4 s ASP 82 N 3.59 6.65 0.21 3.32 1.11 -0.09 0.48 116.67 131.93 1ot4 s ASP 82 Ca 0.19 0.68 0.09 0.00 0.18 0.00 0.00 52.55 53.69 1ot4 s ASP 82 Cb -0.18 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1ot4 s ASP 82 CO 0.05 -0.55 -0.09 -1.66 1.18 0.00 0.00 175.17 174.10 1ot4 s TRP 83 N 2.84 2.61 -0.09 4.23 1.48 0.41 0.26 118.94 130.69 1ot4 s TRP 83 Ca 0.31 -0.23 -0.02 0.00 -1.06 0.00 0.00 56.10 55.09 1ot4 s TRP 83 Cb -0.15 -1.24 0.04 0.00 -1.16 0.00 0.00 33.47 30.96 1ot4 s TRP 83 CO 0.11 0.55 0.05 1.03 -4.06 0.00 0.00 176.95 174.63 1ot4 s ARG 84 N -3.07 0.21 0.18 3.25 0.52 0.12 -0.70 118.95 119.45 1ot4 s ARG 84 Ca 0.27 0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 55.60 1ot4 s ARG 84 Cb -0.08 -1.03 -0.05 0.00 0.52 0.00 0.00 34.95 34.31 1ot4 s ARG 84 CO 0.16 -0.41 0.38 0.00 0.02 0.00 0.00 175.30 175.45 1ot4 s ALA 85 N 2.08 3.82 -0.13 2.13 0.00 0.65 -1.18 121.76 129.13 1ot4 s ALA 85 Ca 0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 1ot4 s ALA 85 Cb -0.13 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1ot4 s ALA 85 CO -0.05 0.50 0.35 0.08 0.00 0.00 0.00 175.76 176.64 1ot4 s VAL 86 N -1.81 0.00 0.33 0.00 1.01 -1.26 -1.01 120.40 117.66 1ot4 s VAL 86 Ca 0.39 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1ot4 s VAL 86 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1ot4 s VAL 86 CO 0.28 -0.00 0.19 -0.44 0.00 0.00 0.00 175.10 175.12 1ot4 s SER 87 N 0.17 1.84 0.41 3.32 0.01 -1.26 -4.57 113.70 113.61 1ot4 s SER 87 Ca -0.00 -1.64 -0.23 0.00 1.31 0.00 0.00 55.95 55.39 1ot4 s SER 87 Cb -0.02 0.47 -0.13 0.00 0.21 0.00 0.00 66.02 66.54 1ot4 s SER 87 CO 0.01 -0.95 0.53 -0.24 0.41 0.00 0.00 173.24 172.99 1ot4 n SER 88 N -1.18 -0.97 -1.01 2.44 2.88 -1.26 -4.43 113.62 110.08 1ot4 n SER 88 Ca 0.01 0.91 0.12 0.00 -1.33 0.00 0.00 58.87 58.59 1ot4 n SER 88 Cb 0.64 -1.10 -0.07 0.00 -0.75 0.00 0.00 64.21 62.94 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 1.37 -5.56 -4.56 -3.46 2.03 -1.26 -4.55 116.55 100.55 1ot4 n ASP 89 Ca 0.12 1.00 -0.38 0.00 0.52 0.00 0.00 54.79 56.04 1ot4 n ASP 89 Cb 0.39 -3.47 -0.03 0.00 -0.72 0.00 0.00 41.12 37.29 1ot4 n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ot4 s THR 90 N -3.81 3.11 -0.47 5.18 2.01 -1.26 -4.79 115.64 115.61 1ot4 s THR 90 Ca 0.00 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1ot4 s THR 90 Cb 0.00 -3.25 0.24 0.00 0.01 0.00 0.00 72.50 69.50 1ot4 s THR 90 CO 0.00 -0.22 0.77 1.41 -0.69 0.00 0.00 174.62 175.89 1ot4 n HIS 91 N 14.14 -2.63 -2.41 4.92 8.25 -1.26 -5.09 115.22 131.14 1ot4 n HIS 91 Ca 0.31 -2.19 -0.43 0.00 -0.26 0.00 0.00 57.72 55.16 1ot4 n HIS 91 Cb 0.52 1.07 -0.02 0.00 1.12 0.00 0.00 29.99 32.68 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1ot4 s PRO 92 N 0.26 4.23 -0.20 -0.41 0.04 -1.26 -3.99 135.00 133.67 1ot4 s PRO 92 Ca 0.33 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 1ot4 s PRO 92 Cb 0.19 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1ot4 s PRO 92 CO -0.20 -0.71 -0.04 0.42 0.04 0.00 0.00 177.00 176.51 1ot4 s ILE 93 N 3.48 3.50 -0.09 0.56 1.09 -0.18 -5.02 121.20 124.54 1ot4 s ILE 93 Ca 0.55 -0.46 -0.01 0.00 -1.10 0.00 0.00 60.65 59.63 1ot4 s ILE 93 Cb -0.22 -2.57 -0.03 0.00 -1.06 0.00 0.00 42.46 38.58 1ot4 s ILE 93 CO 0.15 0.44 -0.06 0.42 -0.10 0.00 0.00 174.94 175.80 1ot4 s THR 94 N 1.14 3.79 0.14 2.92 -4.23 -1.26 -0.25 115.64 117.89 1ot4 s THR 94 Ca 0.02 -0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 59.90 1ot4 s THR 94 Cb -0.15 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.17 1ot4 s THR 94 CO -0.00 0.57 0.50 -0.83 -0.54 0.00 0.00 174.62 174.32 1ot4 s GLY 95 N -0.51 -0.45 0.17 3.99 0.00 0.12 -4.99 107.32 105.66 1ot4 s GLY 95 Ca 0.08 0.23 -0.04 0.00 0.00 0.00 0.00 44.72 44.98 1ot4 s GLY 95 CO 0.02 -0.07 0.18 -0.56 0.00 0.00 0.00 173.10 172.67 1ot4 s SER 96 N -2.77 0.16 -0.26 1.64 0.01 -1.26 0.16 113.70 111.37 1ot4 s SER 96 Ca 0.02 -1.12 -0.02 0.00 1.31 0.00 0.00 55.95 56.14 1ot4 s SER 96 Cb 0.00 0.38 0.12 0.00 0.21 0.00 0.00 66.02 66.74 1ot4 s SER 96 CO -0.12 -0.84 0.27 -0.69 0.41 0.00 0.00 173.24 172.27 1ot4 s VAL 97 N -4.05 -0.37 0.20 3.43 1.01 0.18 -4.91 120.40 115.89 1ot4 s VAL 97 Ca 0.25 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 1ot4 s VAL 97 Cb 0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.46 1ot4 s VAL 97 CO 0.04 -0.39 0.76 0.28 0.00 0.00 0.00 175.10 175.79 1ot4 s THR 98 N 2.35 4.46 -0.09 3.92 -1.32 -1.26 -0.93 115.64 122.77 1ot4 s THR 98 Ca 0.09 1.51 -0.18 0.00 -1.21 0.00 0.00 61.69 61.90 1ot4 s THR 98 Cb -0.15 -4.00 0.04 0.00 -1.51 0.00 0.00 72.50 66.89 1ot4 s THR 98 CO -0.26 0.36 0.43 0.72 -2.21 0.00 0.00 174.62 173.66 1ot4 s PHE 99 N -1.34 -0.39 0.28 9.09 -0.12 -0.36 0.65 117.98 125.78 1ot4 s PHE 99 Ca 0.39 0.82 0.06 0.00 -0.05 0.00 0.00 56.93 58.15 1ot4 s PHE 99 Cb -0.20 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1ot4 s PHE 99 CO 0.23 -0.35 0.34 0.15 -0.05 0.00 0.00 175.22 175.54 1ot4 s LYS 100 N -0.60 3.11 -0.06 1.99 1.02 0.13 -1.48 119.74 123.84 1ot4 s LYS 100 Ca -0.07 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 54.93 1ot4 s LYS 100 Cb -0.03 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1ot4 s LYS 100 CO 0.03 0.28 0.00 0.08 -0.92 0.00 0.00 175.35 174.82 1ot4 s VAL 101 N -2.12 0.31 -0.26 3.17 1.01 0.17 -3.32 120.40 119.36 1ot4 s VAL 101 Ca 0.38 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1ot4 s VAL 101 Cb -0.08 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1ot4 s VAL 101 CO 0.28 0.23 0.57 0.29 0.00 0.00 0.00 175.10 176.47