#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 2.21 -3.79 -0.41 -0.04 -1.26 -4.74 135.00 126.97 1ot4 n PRO 2 Ca 0.00 -1.32 -0.17 0.00 -0.04 0.00 0.00 63.50 61.98 1ot4 n PRO 2 Cb 0.00 -2.28 -0.16 0.00 -0.04 0.00 0.00 33.50 31.02 1ot4 n PRO 2 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ot4 s LYS 3 N 2.27 0.05 1.06 0.54 -2.85 -1.26 -4.44 119.74 115.11 1ot4 s LYS 3 Ca 0.51 0.19 -0.14 0.00 -1.00 0.00 0.00 55.97 55.54 1ot4 s LYS 3 Cb 0.18 -0.37 0.22 0.00 -2.06 0.00 0.00 37.83 35.81 1ot4 s LYS 3 CO -0.03 -0.19 1.09 -0.48 0.10 0.00 0.00 175.35 175.84 1ot4 s LEU 4 N 1.27 1.27 0.00 2.77 -0.00 -1.26 -4.99 118.68 117.74 1ot4 s LEU 4 Ca -0.06 1.08 0.00 0.00 -0.00 0.00 0.00 54.13 55.15 1ot4 s LEU 4 Cb -0.13 -3.13 0.00 0.00 -0.00 0.00 0.00 46.19 42.93 1ot4 s LEU 4 CO -0.03 -3.48 0.41 0.52 -0.00 0.00 0.00 176.35 173.77 1ot4 n VAL 5 N -4.39 0.00 -3.82 1.48 0.31 -1.26 -4.88 118.33 105.77 1ot4 n VAL 5 Ca 0.06 0.91 -0.12 0.00 -0.01 0.00 0.00 64.34 65.18 1ot4 n VAL 5 Cb 0.58 -1.76 -0.11 0.00 -0.91 0.00 0.00 33.84 31.63 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 -2.30 -0.15 0.23 4.52 0.01 -1.24 -5.02 113.70 109.76 1ot4 s SER 6 Ca 0.00 0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.32 1ot4 s SER 6 Cb 0.00 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.60 1ot4 s SER 6 CO 0.00 -0.16 0.57 -0.94 0.41 0.00 0.00 173.24 173.13 1ot4 s SER 7 N -0.31 -0.22 -0.40 2.44 1.04 -1.26 0.46 113.70 115.45 1ot4 s SER 7 Ca -0.04 -0.63 0.12 0.00 0.48 0.00 0.00 55.95 55.87 1ot4 s SER 7 Cb -0.03 0.63 0.38 0.00 0.10 0.00 0.00 66.02 67.09 1ot4 s SER 7 CO 0.01 -1.17 0.83 0.41 0.98 0.00 0.00 173.24 174.30 1ot4 n THR 8 N -0.39 0.71 0.10 2.02 -1.04 0.15 -4.92 114.28 110.92 1ot4 n THR 8 Ca -0.06 -4.43 -0.05 0.00 -2.04 0.00 0.00 64.05 57.46 1ot4 n THR 8 Cb 0.61 -0.29 -0.03 0.00 -1.82 0.00 0.00 70.33 68.81 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 2.97 -0.33 0.00 -2.82 0.13 -1.88 -1.94 132.00 128.13 1ot4 h PRO 9 Ca 0.07 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ot4 h PRO 9 Cb 0.94 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ot4 h PRO 9 CO 0.57 -0.22 0.00 0.00 -0.23 0.00 0.00 178.00 178.12 1ot4 n ALA 10 N -2.75 0.00 -1.39 -0.56 0.00 -1.26 -4.67 120.51 109.87 1ot4 n ALA 10 Ca -0.04 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.90 1ot4 n ALA 10 Cb 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 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 0.18 -3.93 0.00 1.02 -1.26 -1.41 120.64 115.24 1ot4 n GLU 11 Ca 0.00 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 1ot4 n GLU 11 Cb 0.00 -1.72 0.01 0.00 -0.02 0.00 0.00 31.44 29.71 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 6.89 -0.58 3.32 0.62 0.00 0.14 -4.90 105.19 110.68 1ot4 n GLY 12 Ca 0.57 0.24 -0.32 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.91 3.66 -0.20 1.61 0.01 -0.50 -4.94 113.70 109.42 1ot4 s SER 13 Ca 0.31 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 1ot4 s SER 13 Cb -0.17 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 1ot4 s SER 13 CO 0.65 0.18 0.10 -1.61 0.41 0.00 0.00 173.24 172.98 1ot4 s GLU 14 N 0.23 4.06 0.00 12.44 2.02 -1.26 -1.29 118.70 134.91 1ot4 s GLU 14 Ca -0.11 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1ot4 s GLU 14 Cb -0.16 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1ot4 s GLU 14 CO 0.06 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1ot4 n GLY 15 N 3.68 2.33 0.00 -1.39 0.00 -1.19 -4.99 105.19 103.64 1ot4 n GLY 15 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ot4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 n ALA 16 N -3.00 0.00 -2.14 4.61 0.00 -1.26 0.31 120.51 119.02 1ot4 n ALA 16 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ot4 n ALA 16 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1ot4 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ot4 n ALA 17 N 0.00 -3.36 -1.00 0.00 0.00 -1.26 -4.77 120.51 110.12 1ot4 n ALA 17 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.38 1ot4 n ALA 17 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1ot4 n ALA 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ot4 n PRO 18 N 0.73 0.58 -0.03 0.00 -0.04 -1.26 -4.98 135.00 130.00 1ot4 n PRO 18 Ca -0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.29 1ot4 n PRO 18 Cb 0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.67 1ot4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 n ALA 19 N -3.00 0.29 -3.07 0.55 0.00 -1.26 -4.91 120.51 109.10 1ot4 n ALA 19 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 1ot4 n ALA 19 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 1ot4 n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ot4 s LYS 20 N -1.63 1.27 -0.12 0.00 -2.85 -1.26 -4.75 119.74 110.40 1ot4 s LYS 20 Ca -0.09 -0.96 -0.05 0.00 -1.00 0.00 0.00 55.97 53.87 1ot4 s LYS 20 Cb 0.01 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 1ot4 s LYS 20 CO 0.14 -0.51 0.06 0.42 0.10 0.00 0.00 175.35 175.56 1ot4 s ILE 21 N -3.90 4.82 0.06 3.79 1.09 0.39 -4.89 121.20 122.56 1ot4 s ILE 21 Ca 0.11 -0.05 0.02 0.00 -1.10 0.00 0.00 60.65 59.64 1ot4 s ILE 21 Cb 0.01 -3.09 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 1ot4 s ILE 21 CO -0.03 0.57 0.09 -0.70 -0.10 0.00 0.00 174.94 174.77 1ot4 s GLU 22 N -0.59 2.96 -0.07 2.79 2.12 -0.73 0.27 118.70 125.44 1ot4 s GLU 22 Ca 0.11 -0.63 -0.11 0.00 0.36 0.00 0.00 54.97 54.70 1ot4 s GLU 22 Cb -0.12 -2.78 0.02 0.00 0.26 0.00 0.00 34.13 31.52 1ot4 s GLU 22 CO 0.02 0.59 0.27 -0.51 -0.54 0.00 0.00 175.26 175.09 1ot4 s LEU 23 N -2.25 0.98 0.14 2.70 1.43 0.13 0.34 118.68 122.16 1ot4 s LEU 23 Ca 0.28 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1ot4 s LEU 23 Cb -0.12 1.01 -0.03 0.00 0.03 0.00 0.00 46.19 47.07 1ot4 s LEU 23 CO 0.21 -0.22 0.10 -1.00 0.23 0.00 0.00 176.35 175.67 1ot4 s HIS 24 N -0.40 0.81 -0.28 0.29 3.76 0.17 -0.82 115.29 118.82 1ot4 s HIS 24 Ca -0.05 -1.17 0.02 0.00 -0.15 0.00 0.00 55.06 53.71 1ot4 s HIS 24 Cb -0.03 -0.42 0.17 0.00 1.11 0.00 0.00 32.58 33.41 1ot4 s HIS 24 CO 0.01 -0.57 0.48 -0.06 -0.85 0.00 0.00 174.74 173.76 1ot4 s PHE 25 N -4.05 -1.32 -1.28 1.40 0.08 0.17 -3.67 117.98 109.32 1ot4 s PHE 25 Ca 0.24 0.80 0.14 0.00 0.12 0.00 0.00 56.93 58.23 1ot4 s PHE 25 Cb 0.07 0.10 0.67 0.00 -0.57 0.00 0.00 43.02 43.29 1ot4 s PHE 25 CO 0.02 -0.97 1.40 0.45 -0.10 0.00 0.00 175.22 176.03 1ot4 n SER 26 N 5.38 0.00 -3.15 1.36 2.88 -1.26 -4.45 113.62 114.39 1ot4 n SER 26 Ca 0.01 0.23 0.06 0.00 -1.33 0.00 0.00 58.87 57.84 1ot4 n SER 26 Cb 0.51 -0.36 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 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 -2.72 0.07 0.00 -1.46 2.12 -1.26 -5.03 118.70 110.41 1ot4 s GLU 27 Ca 0.11 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1ot4 s GLU 27 Cb 0.09 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1ot4 s GLU 27 CO 0.23 -0.11 0.00 -1.71 -0.54 0.00 0.00 175.26 173.13 1ot4 n ASN 28 N 5.19 0.00 -3.04 -1.70 5.15 -1.26 -4.96 115.26 114.64 1ot4 n ASN 28 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1ot4 n ASN 28 Cb 0.57 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 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 -1.49 -3.50 0.00 1.20 -0.00 -1.26 -4.71 117.00 107.24 1ot4 n LEU 29 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1ot4 n LEU 29 Cb 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 41.93 1ot4 n LEU 29 CO 0.00 -1.49 0.00 0.52 -0.00 0.00 0.00 177.39 176.42 1ot4 n VAL 30 N 1.38 0.00 -2.93 1.47 0.31 -1.14 -4.55 118.33 112.87 1ot4 n VAL 30 Ca 0.00 0.39 -0.16 0.00 -0.01 0.00 0.00 64.34 64.56 1ot4 n VAL 30 Cb 0.42 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.46 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 0.00 0.00 2.52 5.66 -1.26 -4.48 114.28 116.72 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 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 1ot4 n THR 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 n GLN 32 N -2.59 0.00 -1.08 1.09 6.02 -1.26 -5.05 117.38 114.51 1ot4 n GLN 32 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.97 1ot4 n GLN 32 Cb 0.38 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.58 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 -0.35 -0.09 -3.05 1.08 3.72 -1.26 -5.12 117.46 112.39 1ot4 n PHE 33 Ca 0.00 -0.55 -0.34 0.00 -0.05 0.00 0.00 57.45 56.51 1ot4 n PHE 33 Cb 0.00 0.54 -0.06 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.01 6.90 0.00 4.37 0.15 -1.26 -4.73 113.70 118.11 1ot4 s SER 34 Ca 0.01 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1ot4 s SER 34 Cb 0.02 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1ot4 s SER 34 CO -0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1ot4 n GLY 35 N -0.12 1.60 3.35 9.45 0.00 -0.29 -4.98 105.19 114.20 1ot4 n GLY 35 Ca 0.03 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.12 -0.22 4.61 0.00 -1.26 -0.15 121.76 122.62 1ot4 s ALA 36 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 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 -0.68 0.52 0.15 0.00 0.00 0.00 175.76 175.74 1ot4 s LYS 37 N -3.79 0.50 -0.09 0.00 1.02 0.11 -4.88 119.74 112.60 1ot4 s LYS 37 Ca 0.03 1.01 -0.20 0.00 0.02 0.00 0.00 55.97 56.82 1ot4 s LYS 37 Cb 0.01 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 1ot4 s LYS 37 CO -0.12 -0.17 0.57 -1.17 -0.92 0.00 0.00 175.35 173.54 1ot4 s LEU 38 N 1.74 4.30 -0.03 3.17 2.96 -1.26 -1.13 118.68 128.43 1ot4 s LEU 38 Ca -0.08 0.98 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 1ot4 s LEU 38 Cb -0.08 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1ot4 s LEU 38 CO -0.16 -0.03 -0.16 0.68 -1.32 0.00 0.00 176.35 175.36 1ot4 s VAL 39 N 0.61 1.34 -0.75 1.68 -7.23 -1.03 -1.27 120.40 113.75 1ot4 s VAL 39 Ca 0.31 -0.68 -0.18 0.00 -1.81 0.00 0.00 61.98 59.61 1ot4 s VAL 39 Cb -0.16 -1.14 0.13 0.00 0.56 0.00 0.00 36.38 35.76 1ot4 s VAL 39 CO 0.14 0.39 0.88 -0.32 -0.31 0.00 0.00 175.10 175.87 1ot4 s MET 40 N -0.07 3.33 -0.96 4.82 1.75 0.49 -1.20 119.30 127.46 1ot4 s MET 40 Ca -0.01 -1.63 -0.00 0.00 -1.25 0.00 0.00 55.69 52.80 1ot4 s MET 40 Cb -0.10 -4.50 0.32 0.00 2.84 0.00 0.00 34.83 33.39 1ot4 s MET 40 CO 0.01 -1.60 1.73 -2.37 -0.65 0.00 0.00 175.02 172.14 1ot4 n THR 41 N 5.27 5.62 -0.33 10.11 5.66 -0.61 -1.80 114.28 138.21 1ot4 n THR 41 Ca 0.06 -5.86 0.23 0.00 -3.05 0.00 0.00 64.05 55.44 1ot4 n THR 41 Cb 0.46 -1.52 0.46 0.00 -1.55 0.00 0.00 70.33 68.18 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 3.99 1.84 -3.30 1.79 0.00 -1.63 -3.23 119.26 118.73 1ot4 h ALA 42 Ca 0.49 0.23 -0.60 0.00 0.00 0.00 0.00 54.91 55.02 1ot4 h ALA 42 Cb 0.33 0.26 -0.40 0.00 0.00 0.00 0.00 17.79 17.98 1ot4 h ALA 42 CO 1.15 -0.65 -0.75 -1.64 0.00 0.00 0.00 179.25 177.36 1ot4 s MET 43 N -5.70 0.92 -1.16 0.00 -1.94 -1.26 -4.55 119.30 105.62 1ot4 s MET 43 Ca -0.10 -1.28 -0.13 0.00 -1.71 0.00 0.00 55.69 52.46 1ot4 s MET 43 Cb 0.30 -2.31 -0.07 0.00 2.01 0.00 0.00 34.83 34.76 1ot4 s MET 43 CO 0.78 -0.97 2.26 -0.35 -0.01 0.00 0.00 175.02 176.74 1ot4 n PRO 44 N 4.69 2.44 -2.64 2.03 -0.04 -1.22 -3.95 135.00 136.31 1ot4 n PRO 44 Ca -0.01 -2.01 -0.05 0.00 -0.04 0.00 0.00 63.50 61.40 1ot4 n PRO 44 Cb 0.42 -2.87 0.08 0.00 -0.04 0.00 0.00 33.50 31.10 1ot4 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ot4 n GLY 45 N 4.03 0.78 2.44 0.55 0.00 -1.26 -5.02 105.19 106.71 1ot4 n GLY 45 Ca 0.55 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 1ot4 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ot4 n MET 46 N -0.66 1.78 -2.51 1.61 2.81 -1.25 -4.90 117.12 113.98 1ot4 n MET 46 Ca -0.11 -3.94 -0.07 0.00 -1.81 0.00 0.00 57.70 51.77 1ot4 n MET 46 Cb 0.79 -1.85 -0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1ot4 n MET 46 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1ot4 n GLU 47 N 0.35 -2.61 -2.94 0.03 2.13 -1.26 -1.62 120.64 114.73 1ot4 n GLU 47 Ca 0.27 0.31 -0.02 0.00 0.66 0.00 0.00 57.16 58.38 1ot4 n GLU 47 Cb 0.53 -4.87 0.00 0.00 0.27 0.00 0.00 31.44 27.38 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 -3.00 -3.02 -3.10 4.31 -0.00 -1.26 -5.02 115.22 104.13 1ot4 n HIS 48 Ca -0.07 1.17 -0.19 0.00 -0.00 0.00 0.00 57.72 58.63 1ot4 n HIS 48 Cb 0.56 -4.02 -0.04 0.00 -0.00 0.00 0.00 29.99 26.48 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 -1.32 -1.18 -4.75 0.26 7.64 -0.64 -5.14 113.62 108.49 1ot4 n SER 49 Ca 0.03 -2.74 -0.29 0.00 1.01 0.00 0.00 58.87 56.89 1ot4 n SER 49 Cb 0.48 0.22 0.14 0.00 -1.01 0.00 0.00 64.21 64.04 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 -0.12 1.09 -0.39 1.43 0.04 -1.26 -4.92 135.00 130.86 1ot4 s PRO 50 Ca 0.33 0.26 -0.09 0.00 0.04 0.00 0.00 61.00 61.54 1ot4 s PRO 50 Cb 0.11 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.87 1ot4 s PRO 50 CO -0.15 -2.22 0.22 -1.64 0.04 0.00 0.00 177.00 173.24 1ot4 s MET 51 N -5.31 2.67 0.42 4.56 -1.94 -0.75 -4.88 119.30 114.08 1ot4 s MET 51 Ca 0.64 -1.31 -0.26 0.00 -1.71 0.00 0.00 55.69 53.05 1ot4 s MET 51 Cb -0.14 -3.72 -0.09 0.00 2.01 0.00 0.00 34.83 32.88 1ot4 s MET 51 CO 0.53 -0.84 1.43 0.00 -0.01 0.00 0.00 175.02 176.14 1ot4 s ALA 52 N 1.46 3.36 -0.07 3.03 0.00 -1.26 0.19 121.76 128.46 1ot4 s ALA 52 Ca 0.02 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1ot4 s ALA 52 Cb -0.21 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 1ot4 s ALA 52 CO 0.04 -1.10 -0.13 0.54 0.00 0.00 0.00 175.76 175.11 1ot4 s VAL 53 N -1.18 3.16 -0.80 0.00 0.11 -0.39 -4.79 120.40 116.51 1ot4 s VAL 53 Ca 0.57 -0.67 -0.25 0.00 -2.93 0.00 0.00 61.98 58.70 1ot4 s VAL 53 Cb -0.44 -2.27 -0.09 0.00 -1.53 0.00 0.00 36.38 32.05 1ot4 s VAL 53 CO 0.58 0.58 2.19 -0.54 -3.33 0.00 0.00 175.10 174.58 1ot4 s LYS 54 N -0.51 2.08 0.47 1.54 1.02 -1.26 -4.60 119.74 118.48 1ot4 s LYS 54 Ca 0.07 0.26 0.04 0.00 0.02 0.00 0.00 55.97 56.36 1ot4 s LYS 54 Cb -0.12 -4.85 -0.03 0.00 -0.52 0.00 0.00 37.83 32.31 1ot4 s LYS 54 CO 0.02 -3.83 0.05 0.00 -0.92 0.00 0.00 175.35 170.67 1ot4 s ALA 55 N 12.37 3.82 -0.01 5.17 0.00 -1.26 -3.47 121.76 138.39 1ot4 s ALA 55 Ca 0.82 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1ot4 s ALA 55 Cb -0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1ot4 s ALA 55 CO 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 175.76 175.68 1ot4 s ALA 56 N -2.79 0.47 -0.28 0.00 0.00 -1.07 -4.85 121.76 113.25 1ot4 s ALA 56 Ca 0.20 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 1ot4 s ALA 56 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1ot4 s ALA 56 CO 0.11 0.10 0.10 0.08 0.00 0.00 0.00 175.76 176.15 1ot4 s VAL 57 N -0.05 4.40 0.47 0.00 1.01 -1.26 -0.77 120.40 124.20 1ot4 s VAL 57 Ca 0.01 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1ot4 s VAL 57 Cb -0.03 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1ot4 s VAL 57 CO -0.00 0.22 0.23 -0.44 0.00 0.00 0.00 175.10 175.11 1ot4 s SER 58 N 1.61 4.48 0.02 3.32 0.01 0.75 -4.97 113.70 118.92 1ot4 s SER 58 Ca 0.05 -1.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.04 1ot4 s SER 58 Cb -0.16 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 1ot4 s SER 58 CO 0.05 -0.79 0.10 -0.83 0.41 0.00 0.00 173.24 172.17 1ot4 s GLY 59 N -4.04 0.14 -0.27 3.44 0.00 -1.26 -0.19 107.32 105.14 1ot4 s GLY 59 Ca 0.33 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 1ot4 s GLY 59 CO 0.19 -0.56 2.34 0.61 0.00 0.00 0.00 173.10 175.68 1ot4 n GLY 60 N 1.06 3.81 3.42 0.20 0.00 -0.39 -4.79 105.19 108.51 1ot4 n GLY 60 Ca -0.21 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.84 1.92 3.83 -0.02 0.00 -1.26 -4.91 105.19 105.59 1ot4 n GLY 61 Ca 0.31 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 6.89 0.00 1.61 1.11 -1.26 -4.94 116.67 120.08 1ot4 s ASP 62 Ca 0.00 1.33 0.24 0.00 0.18 0.00 0.00 52.55 54.29 1ot4 s ASP 62 Cb 0.00 -2.39 1.40 0.00 1.07 0.00 0.00 42.92 43.00 1ot4 s ASP 62 CO 0.00 -0.09 1.79 -0.81 1.18 0.00 0.00 175.17 177.24 1ot4 n PRO 63 N 0.15 0.70 -0.01 8.23 -0.04 -1.26 -2.17 135.00 140.59 1ot4 n PRO 63 Ca 0.01 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.49 1ot4 n PRO 63 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.03 0.65 -3.67 0.54 2.85 -1.26 -2.89 118.16 113.34 1ot4 n LYS 64 Ca 0.17 0.02 -0.38 0.00 -1.05 0.00 0.00 58.31 57.07 1ot4 n LYS 64 Cb 0.09 -1.64 -0.12 0.00 -0.65 0.00 0.00 35.03 32.71 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 -3.04 4.63 0.13 0.58 2.01 -0.92 -0.65 115.64 118.37 1ot4 s THR 65 Ca -0.06 -0.30 0.10 0.00 0.31 0.00 0.00 61.69 61.74 1ot4 s THR 65 Cb 0.10 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1ot4 s THR 65 CO 0.85 0.15 -0.23 -0.04 -0.69 0.00 0.00 174.62 174.65 1ot4 s MET 66 N 1.63 1.28 -0.11 4.92 -1.94 0.00 -1.27 119.30 123.82 1ot4 s MET 66 Ca 0.05 -1.30 -0.04 0.00 -1.71 0.00 0.00 55.69 52.69 1ot4 s MET 66 Cb -0.16 -1.60 0.06 0.00 2.01 0.00 0.00 34.83 35.13 1ot4 s MET 66 CO 0.06 0.37 0.19 0.14 -0.01 0.00 0.00 175.02 175.76 1ot4 s VAL 67 N -1.31 -0.29 -0.20 -6.03 -7.23 0.73 0.22 120.40 106.29 1ot4 s VAL 67 Ca 0.12 0.25 -0.21 0.00 -1.81 0.00 0.00 61.98 60.33 1ot4 s VAL 67 Cb -0.09 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 1ot4 s VAL 67 CO 0.06 0.08 0.66 -0.63 -0.31 0.00 0.00 175.10 174.95 1ot4 s ILE 68 N 2.32 5.00 -0.29 -0.62 1.09 0.14 -0.18 121.20 128.66 1ot4 s ILE 68 Ca 0.03 1.25 -0.01 0.00 -1.10 0.00 0.00 60.65 60.81 1ot4 s ILE 68 Cb -0.13 -3.97 0.09 0.00 -1.06 0.00 0.00 42.46 37.40 1ot4 s ILE 68 CO -0.07 0.09 0.09 -0.89 -0.10 0.00 0.00 174.94 174.06 1ot4 s THR 69 N 2.00 0.70 0.17 2.92 2.01 0.05 -0.46 115.64 123.02 1ot4 s THR 69 Ca 0.30 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1ot4 s THR 69 Cb -0.16 -1.49 -0.07 0.00 0.01 0.00 0.00 72.50 70.79 1ot4 s THR 69 CO 0.10 -0.62 1.12 -2.16 -0.69 0.00 0.00 174.62 172.37 1ot4 s PRO 70 N 1.72 4.56 0.26 4.92 0.04 -1.26 -2.59 135.00 142.64 1ot4 s PRO 70 Ca 0.08 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1ot4 s PRO 70 Cb -0.17 -3.28 0.33 0.00 0.04 0.00 0.00 34.50 31.41 1ot4 s PRO 70 CO -0.25 0.02 1.64 0.00 0.04 0.00 0.00 177.00 178.45 1ot4 h ALA 71 N 5.29 0.96 -2.72 8.56 0.00 -1.88 -3.44 119.26 126.04 1ot4 h ALA 71 Ca -0.44 -0.44 -0.60 0.00 0.00 0.00 0.00 54.91 53.44 1ot4 h ALA 71 Cb 1.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1ot4 h ALA 71 CO 0.73 0.63 -0.32 0.45 0.00 0.00 0.00 179.25 180.74 1ot4 s SER 72 N -6.87 6.52 -0.02 0.00 0.15 -1.25 -5.06 113.70 107.18 1ot4 s SER 72 Ca -0.06 0.62 -0.30 0.00 0.70 0.00 0.00 55.95 56.91 1ot4 s SER 72 Cb 0.13 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 1ot4 s SER 72 CO 0.80 0.14 1.20 -2.16 1.20 0.00 0.00 173.24 174.41 1ot4 s PRO 73 N -2.25 4.38 -0.08 5.44 0.04 -1.26 -4.96 135.00 136.31 1ot4 s PRO 73 Ca 0.35 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1ot4 s PRO 73 Cb -0.13 -3.50 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 1ot4 s PRO 73 CO 0.21 -0.39 1.84 -0.51 0.04 0.00 0.00 177.00 178.19 1ot4 s LEU 74 N 1.88 4.15 0.49 -3.56 1.43 -1.26 -4.97 118.68 116.84 1ot4 s LEU 74 Ca 0.57 2.22 -0.05 0.00 -1.03 0.00 0.00 54.13 55.83 1ot4 s LEU 74 Cb -0.26 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1ot4 s LEU 74 CO 0.24 -1.19 0.80 0.42 0.23 0.00 0.00 176.35 176.85 1ot4 s THR 75 N 5.04 4.83 0.61 5.49 -4.23 -1.26 -4.18 115.64 121.94 1ot4 s THR 75 Ca 0.82 0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 61.36 1ot4 s THR 75 Cb -0.35 -3.84 -0.11 0.00 1.34 0.00 0.00 72.50 69.54 1ot4 s THR 75 CO 0.35 -0.83 0.15 0.00 -0.54 0.00 0.00 174.62 173.74 1ot4 n ALA 76 N -2.29 -2.37 0.00 3.99 0.00 -1.26 -4.79 120.51 113.79 1ot4 n ALA 76 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ot4 n ALA 76 Cb 0.55 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 2.20 0.82 3.18 0.00 0.00 0.15 -4.96 105.19 106.58 1ot4 n GLY 77 Ca 0.09 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.91 1.54 0.25 2.61 2.01 -1.26 -0.35 115.64 118.53 1ot4 s THR 78 Ca 0.00 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1ot4 s THR 78 Cb 0.00 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1ot4 s THR 78 CO 0.00 0.44 0.22 -0.31 -0.69 0.00 0.00 174.62 174.28 1ot4 s TYR 79 N -0.25 1.28 -0.21 4.92 1.51 -0.67 -1.54 117.35 122.38 1ot4 s TYR 79 Ca 0.02 -1.41 -0.08 0.00 -1.01 0.00 0.00 57.07 54.60 1ot4 s TYR 79 Cb -0.09 -0.52 0.10 0.00 -0.11 0.00 0.00 41.96 41.33 1ot4 s TYR 79 CO 0.01 -0.77 0.46 -1.59 -1.11 0.00 0.00 175.55 172.55 1ot4 s LYS 80 N -3.87 0.37 -0.52 -0.62 0.00 -0.34 -0.61 119.74 114.15 1ot4 s LYS 80 Ca 0.38 1.10 -0.25 0.00 0.00 0.00 0.00 55.97 57.20 1ot4 s LYS 80 Cb 0.05 0.41 0.03 0.00 0.00 0.00 0.00 37.83 38.32 1ot4 s LYS 80 CO 0.17 -0.24 0.97 0.08 0.00 0.00 0.00 175.35 176.33 1ot4 s VAL 81 N 2.61 4.37 -0.29 1.79 1.01 0.55 -2.48 120.40 127.96 1ot4 s VAL 81 Ca -0.03 0.55 -0.20 0.00 0.00 0.00 0.00 61.98 62.30 1ot4 s VAL 81 Cb -0.12 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 1ot4 s VAL 81 CO -0.14 -1.04 0.62 -1.81 0.00 0.00 0.00 175.10 172.73 1ot4 s ASP 82 N 2.63 6.51 0.11 3.32 1.11 -0.28 -0.16 116.67 129.90 1ot4 s ASP 82 Ca 0.35 0.50 0.09 0.00 0.18 0.00 0.00 52.55 53.67 1ot4 s ASP 82 Cb -0.11 -2.33 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 1ot4 s ASP 82 CO 0.23 -0.43 -0.19 -1.66 1.18 0.00 0.00 175.17 174.29 1ot4 s TRP 83 N 2.55 2.50 -0.04 4.23 1.48 0.26 0.06 118.94 129.99 1ot4 s TRP 83 Ca 0.25 -0.28 0.01 0.00 -1.06 0.00 0.00 56.10 55.02 1ot4 s TRP 83 Cb -0.15 -1.35 0.02 0.00 -1.16 0.00 0.00 33.47 30.83 1ot4 s TRP 83 CO 0.11 0.36 -0.05 1.03 -4.06 0.00 0.00 176.95 174.33 1ot4 s ARG 84 N -2.01 0.85 -0.17 3.25 3.00 0.78 0.29 118.95 124.94 1ot4 s ARG 84 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 55.73 55.77 1ot4 s ARG 84 Cb -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 34.95 34.03 1ot4 s ARG 84 CO 0.09 -0.05 -0.18 0.00 0.00 0.00 0.00 175.30 175.16 1ot4 s ALA 85 N 0.79 2.17 -0.47 2.13 0.00 -0.14 -1.14 121.76 125.09 1ot4 s ALA 85 Ca -0.11 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 1ot4 s ALA 85 Cb -0.14 -1.15 0.07 0.00 0.00 0.00 0.00 23.12 21.91 1ot4 s ALA 85 CO 0.00 -0.38 0.40 0.08 0.00 0.00 0.00 175.76 175.86 1ot4 s VAL 86 N 1.36 5.23 0.88 0.00 1.01 -1.26 -1.25 120.40 126.36 1ot4 s VAL 86 Ca 0.05 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1ot4 s VAL 86 Cb -0.13 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 32.23 1ot4 s VAL 86 CO -0.12 -0.59 1.10 -0.44 0.00 0.00 0.00 175.10 175.05 1ot4 s SER 87 N 2.63 3.70 -0.92 3.32 0.01 -1.26 -4.71 113.70 116.48 1ot4 s SER 87 Ca 0.04 1.39 -0.15 0.00 1.31 0.00 0.00 55.95 58.54 1ot4 s SER 87 Cb -0.24 -2.08 -0.10 0.00 0.21 0.00 0.00 66.02 63.81 1ot4 s SER 87 CO 0.07 -2.48 2.06 -1.54 0.41 0.00 0.00 173.24 171.75 1ot4 n SER 88 N -3.77 3.73 -3.61 2.44 3.41 -1.26 -4.70 113.62 109.86 1ot4 n SER 88 Ca 0.07 -2.56 0.01 0.00 -0.26 0.00 0.00 58.87 56.13 1ot4 n SER 88 Cb 0.56 -1.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.33 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ot4 s ASP 89 N 4.16 -0.06 -1.50 4.04 2.15 -1.26 -5.04 116.67 119.16 1ot4 s ASP 89 Ca 0.50 -0.10 -0.10 0.00 0.43 0.00 0.00 52.55 53.28 1ot4 s ASP 89 Cb 0.13 0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 1ot4 s ASP 89 CO 0.04 -0.25 2.62 0.35 -0.17 0.00 0.00 175.17 177.75 1ot4 n THR 90 N -0.45 4.37 -2.77 1.71 -2.24 -1.26 -4.49 114.28 109.15 1ot4 n THR 90 Ca -0.08 -3.19 -0.02 0.00 -2.27 0.00 0.00 64.05 58.49 1ot4 n THR 90 Cb 0.62 -2.48 0.02 0.00 -2.10 0.00 0.00 70.33 66.39 1ot4 n THR 90 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ot4 s HIS 91 N 1.49 -0.97 0.49 4.78 5.04 -1.26 -5.16 115.29 119.70 1ot4 s HIS 91 Ca 0.60 -0.23 -0.20 0.00 -1.54 0.00 0.00 55.06 53.69 1ot4 s HIS 91 Cb 0.17 0.19 -0.08 0.00 0.04 0.00 0.00 32.58 32.89 1ot4 s HIS 91 CO -0.07 -0.74 1.04 -1.25 -2.34 0.00 0.00 174.74 171.38 1ot4 s PRO 92 N 1.14 3.78 -0.02 2.88 0.04 -1.26 -4.45 135.00 137.11 1ot4 s PRO 92 Ca 0.24 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.68 1ot4 s PRO 92 Cb 0.05 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1ot4 s PRO 92 CO -0.09 -0.44 -0.18 0.42 0.04 0.00 0.00 177.00 176.75 1ot4 s ILE 93 N -2.01 2.75 0.01 0.56 1.09 -0.38 -5.00 121.20 118.21 1ot4 s ILE 93 Ca 0.67 -0.92 0.08 0.00 -1.10 0.00 0.00 60.65 59.38 1ot4 s ILE 93 Cb -0.16 -2.06 -0.02 0.00 -1.06 0.00 0.00 42.46 39.15 1ot4 s ILE 93 CO 0.21 0.54 -0.24 0.42 -0.10 0.00 0.00 174.94 175.76 1ot4 s THR 94 N -0.74 1.93 0.14 2.92 -4.23 -1.26 -0.97 115.64 113.43 1ot4 s THR 94 Ca 0.12 -1.18 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1ot4 s THR 94 Cb -0.10 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 1ot4 s THR 94 CO 0.01 0.42 0.19 -0.83 -0.54 0.00 0.00 174.62 173.87 1ot4 s GLY 95 N -0.91 0.54 -0.03 3.99 0.00 0.15 -4.59 107.32 106.47 1ot4 s GLY 95 Ca 0.10 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.60 1ot4 s GLY 95 CO 0.01 -0.99 0.46 -0.56 0.00 0.00 0.00 173.10 172.01 1ot4 s SER 96 N -2.97 -0.38 -0.26 1.64 0.01 -1.26 0.93 113.70 111.42 1ot4 s SER 96 Ca 0.16 0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.77 1ot4 s SER 96 Cb 0.05 0.41 0.07 0.00 0.21 0.00 0.00 66.02 66.76 1ot4 s SER 96 CO -0.02 -0.51 -0.01 -0.69 0.41 0.00 0.00 173.24 172.42 1ot4 s VAL 97 N -1.26 1.48 0.02 3.43 1.01 0.77 -4.92 120.40 120.93 1ot4 s VAL 97 Ca -0.12 -1.38 -0.22 0.00 0.00 0.00 0.00 61.98 60.25 1ot4 s VAL 97 Cb -0.03 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1ot4 s VAL 97 CO 0.06 -0.28 0.64 0.28 0.00 0.00 0.00 175.10 175.80 1ot4 s THR 98 N 1.38 4.84 0.10 3.92 -1.32 -1.26 -0.33 115.64 122.97 1ot4 s THR 98 Ca -0.00 1.35 -0.08 0.00 -1.21 0.00 0.00 61.69 61.74 1ot4 s THR 98 Cb -0.19 -3.98 -0.00 0.00 -1.51 0.00 0.00 72.50 66.82 1ot4 s THR 98 CO -0.10 0.42 0.19 0.72 -2.21 0.00 0.00 174.62 173.64 1ot4 s PHE 99 N -0.24 0.20 0.28 9.09 -0.12 0.22 0.27 117.98 127.68 1ot4 s PHE 99 Ca 0.33 -0.62 0.07 0.00 -0.05 0.00 0.00 56.93 56.65 1ot4 s PHE 99 Cb -0.19 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1ot4 s PHE 99 CO 0.19 -0.56 0.31 0.15 -0.05 0.00 0.00 175.22 175.26 1ot4 s LYS 100 N -3.88 3.05 -0.18 1.99 3.01 -0.41 -1.68 119.74 121.64 1ot4 s LYS 100 Ca 0.07 -1.02 -0.04 0.00 -1.01 0.00 0.00 55.97 53.96 1ot4 s LYS 100 Cb 0.05 -2.67 0.09 0.00 -1.01 0.00 0.00 37.83 34.28 1ot4 s LYS 100 CO -0.10 0.28 0.23 0.08 0.51 0.00 0.00 175.35 176.35 1ot4 s VAL 101 N -2.14 -0.34 -2.53 3.17 1.01 0.53 -3.17 120.40 116.92 1ot4 s VAL 101 Ca 0.37 -0.01 0.28 0.00 0.00 0.00 0.00 61.98 62.61 1ot4 s VAL 101 Cb -0.08 -0.62 0.53 0.00 0.00 0.00 0.00 36.38 36.21 1ot4 s VAL 101 CO 0.27 -0.12 1.71 0.29 0.00 0.00 0.00 175.10 177.25