#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8c n ALA 2 N 0.00 -0.11 -3.03 -5.12 0.00 -1.26 -4.99 120.51 106.00 1j8c n ALA 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1j8c n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1j8c n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j8c n GLU 3 N -1.16 -2.26 -2.96 0.00 1.02 -1.26 -4.90 120.64 109.12 1j8c n GLU 3 Ca 0.00 1.93 -0.41 0.00 -0.02 0.00 0.00 57.16 58.66 1j8c n GLU 3 Cb 0.00 -4.16 -0.04 0.00 -0.02 0.00 0.00 31.44 27.22 1j8c n GLU 3 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1j8c s ASN 4 N -1.93 6.92 0.00 1.62 0.01 -1.26 -4.95 114.94 115.35 1j8c s ASN 4 Ca 0.20 1.12 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 1j8c s ASN 4 Cb -0.04 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1j8c s ASN 4 CO 0.71 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 176.59 1j8c n GLY 5 N 3.44 3.38 2.62 0.66 0.00 -1.26 -5.12 105.19 108.92 1j8c n GLY 5 Ca 0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1j8c n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j8c s GLU 6 N 2.21 0.33 -0.36 1.61 2.12 -1.26 -5.00 118.70 118.35 1j8c s GLU 6 Ca 0.00 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 54.88 1j8c s GLU 6 Cb 0.00 -1.62 0.46 0.00 0.26 0.00 0.00 34.13 33.23 1j8c s GLU 6 CO 0.00 -0.87 1.37 0.43 -0.54 0.00 0.00 175.26 175.65 1j8c n SER 7 N 5.15 5.29 -3.35 -1.70 7.64 -1.26 -4.88 113.62 120.52 1j8c n SER 7 Ca -0.06 -3.76 -0.16 0.00 1.01 0.00 0.00 58.87 55.90 1j8c n SER 7 Cb 0.44 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.09 1j8c n SER 7 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j8c s SER 8 N -3.21 1.00 0.00 6.43 0.15 -1.26 -5.14 113.70 111.67 1j8c s SER 8 Ca 0.53 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.73 1j8c s SER 8 Cb 0.43 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1j8c s SER 8 CO 0.03 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1j8c n GLY 9 N 4.34 -2.35 3.76 9.45 0.00 -1.26 -4.97 105.19 114.17 1j8c n GLY 9 Ca 0.10 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1j8c n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j8c s PRO 10 N 0.00 1.69 -0.06 1.61 0.04 -1.26 -5.00 135.00 132.02 1j8c s PRO 10 Ca 0.00 0.71 -0.23 0.00 0.04 0.00 0.00 61.00 61.52 1j8c s PRO 10 Cb 0.00 -1.87 -0.18 0.00 0.04 0.00 0.00 34.50 32.49 1j8c s PRO 10 CO 0.00 -1.92 0.96 -1.00 0.04 0.00 0.00 177.00 175.08 1j8c h PRO 11 N -1.31 -0.12 -6.24 0.56 0.13 -2.07 -3.42 132.00 119.54 1j8c h PRO 11 Ca -0.48 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 1j8c h PRO 11 Cb 1.28 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 1j8c h PRO 11 CO 0.57 0.40 0.69 -0.98 -0.23 0.00 0.00 178.00 178.46 1j8c s ARG 12 N -3.46 3.81 0.67 0.86 1.04 -1.26 -5.02 118.95 115.59 1j8c s ARG 12 Ca -0.14 0.60 -0.13 0.00 -1.04 0.00 0.00 55.73 55.01 1j8c s ARG 12 Cb 0.00 -3.83 0.00 0.00 -2.04 0.00 0.00 34.95 29.09 1j8c s ARG 12 CO 0.56 -1.05 1.07 -1.25 -0.04 0.00 0.00 175.30 174.58 1j8c s PRO 13 N 3.71 2.91 0.35 3.89 0.04 -1.26 -4.96 135.00 139.67 1j8c s PRO 13 Ca 0.41 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1j8c s PRO 13 Cb -0.11 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1j8c s PRO 13 CO 0.21 -1.13 0.00 -1.13 0.04 0.00 0.00 177.00 174.99 1j8c n SER 14 N -2.77 -2.10 -0.00 6.66 3.41 -1.26 -5.05 113.62 112.50 1j8c n SER 14 Ca 0.09 0.64 -0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1j8c n SER 14 Cb 0.53 2.08 -0.00 0.00 -0.26 0.00 0.00 64.21 66.56 1j8c n SER 14 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1j8c n ARG 15 N -3.36 0.02 0.00 4.33 0.00 -1.26 -5.14 116.66 111.25 1j8c n ARG 15 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1j8c n ARG 15 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 32.46 32.13 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j8c n GLY 16 N 2.34 0.39 0.07 5.14 0.00 -1.26 -4.78 105.19 107.09 1j8c n GLY 16 Ca -0.00 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 1j8c n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j8c h PRO 17 N 0.00 -0.03 0.00 1.61 0.13 -2.08 -3.49 132.00 128.15 1j8c h PRO 17 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1j8c h PRO 17 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1j8c h PRO 17 CO 0.00 0.59 -0.05 0.00 -0.23 0.00 0.00 178.00 178.31 1j8c n ALA 18 N -2.44 -0.47 -3.51 -0.56 0.00 -1.26 -4.88 120.51 107.38 1j8c n ALA 18 Ca -0.09 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1j8c n ALA 18 Cb 0.31 -0.15 0.03 0.00 0.00 0.00 0.00 19.45 19.65 1j8c n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 19 N -0.25 -2.57 -2.73 0.00 0.00 -1.26 -4.86 120.51 108.84 1j8c n ALA 19 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1j8c n ALA 19 Cb 0.06 -3.50 -0.03 0.00 0.00 0.00 0.00 19.45 15.99 1j8c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c s ALA 20 N -3.30 3.01 0.00 0.00 0.00 -1.26 -4.58 121.76 115.62 1j8c s ALA 20 Ca 0.33 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1j8c s ALA 20 Cb -0.10 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1j8c s ALA 20 CO 0.83 -3.20 0.00 1.04 0.00 0.00 0.00 175.76 174.43 1j8c n GLN 21 N 7.98 0.00 0.00 0.00 6.02 -1.26 -5.09 117.38 125.03 1j8c n GLN 21 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1j8c n GLN 21 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1j8c n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j8c n GLY 22 N 0.40 1.36 3.23 1.08 0.00 -1.26 -4.75 105.19 105.25 1j8c n GLY 22 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1j8c n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j8c n SER 23 N 4.24 4.65 -2.85 1.61 3.41 -1.26 -4.65 113.62 118.76 1j8c n SER 23 Ca 0.00 -2.92 -0.12 0.00 -0.26 0.00 0.00 58.87 55.57 1j8c n SER 23 Cb 0.00 -1.68 0.03 0.00 -0.26 0.00 0.00 64.21 62.30 1j8c n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j8c n ALA 24 N 6.94 -0.44 -3.07 7.33 0.00 -1.26 -5.13 120.51 124.87 1j8c n ALA 24 Ca 0.48 -1.89 -0.12 0.00 0.00 0.00 0.00 53.44 51.91 1j8c n ALA 24 Cb 0.43 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 1j8c n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c s ALA 25 N 0.16 -0.38 -0.44 0.00 0.00 -1.26 -5.11 121.76 114.73 1j8c s ALA 25 Ca 0.32 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1j8c s ALA 25 Cb 0.23 -0.12 0.19 0.00 0.00 0.00 0.00 23.12 23.42 1j8c s ALA 25 CO -0.19 -0.13 0.78 0.00 0.00 0.00 0.00 175.76 176.22 1j8c s ALA 26 N -0.51 -2.75 -0.53 0.00 0.00 -1.26 -5.10 121.76 111.60 1j8c s ALA 26 Ca -0.06 0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1j8c s ALA 26 Cb -0.04 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 1j8c s ALA 26 CO 0.01 -2.30 1.60 -1.25 0.00 0.00 0.00 175.76 173.82 1j8c s PRO 27 N 1.27 3.14 -0.56 0.00 0.04 -1.26 -4.88 135.00 132.75 1j8c s PRO 27 Ca 0.24 0.67 0.04 0.00 0.04 0.00 0.00 61.00 61.98 1j8c s PRO 27 Cb 0.01 -4.20 0.38 0.00 0.04 0.00 0.00 34.50 30.73 1j8c s PRO 27 CO -0.07 -2.13 1.21 0.00 0.04 0.00 0.00 177.00 176.05 1j8c n ALA 28 N 10.52 5.18 -3.87 8.56 0.00 -1.26 -4.94 120.51 134.70 1j8c n ALA 28 Ca 0.16 -4.43 -0.32 0.00 0.00 0.00 0.00 53.44 48.85 1j8c n ALA 28 Cb 0.49 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 1j8c n ALA 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1j8c s GLU 29 N -3.63 2.20 0.00 0.00 2.12 -1.26 -5.01 118.70 113.12 1j8c s GLU 29 Ca 0.48 -2.60 0.00 0.00 0.36 0.00 0.00 54.97 53.22 1j8c s GLU 29 Cb 0.36 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1j8c s GLU 29 CO -0.20 -1.13 0.00 -0.35 -0.54 0.00 0.00 175.26 173.04 1j8c n PRO 30 N 3.24 0.00 -4.18 4.30 -0.04 -1.26 -3.84 135.00 133.22 1j8c n PRO 30 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1j8c n PRO 30 Cb 0.34 -0.12 -0.06 0.00 -0.04 0.00 0.00 33.50 33.62 1j8c n PRO 30 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j8c n LYS 31 N 0.00 -2.11 -1.64 0.54 5.02 -1.26 -0.19 118.16 118.53 1j8c n LYS 31 Ca 0.00 0.25 -0.45 0.00 -2.02 0.00 0.00 58.31 56.09 1j8c n LYS 31 Cb 0.00 -4.20 -0.04 0.00 -0.02 0.00 0.00 35.03 30.77 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1j8c n ILE 32 N -4.45 0.57 -2.55 -0.18 -0.00 -1.26 -1.84 119.36 109.65 1j8c n ILE 32 Ca -0.25 -0.20 -0.29 0.00 -0.00 0.00 0.00 62.75 62.00 1j8c n ILE 32 Cb 0.66 -2.16 -0.01 0.00 -0.00 0.00 0.00 39.64 38.12 1j8c n ILE 32 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 1j8c s ILE 33 N 5.38 4.80 0.10 1.39 -4.36 0.14 -4.76 121.20 123.89 1j8c s ILE 33 Ca 0.95 0.56 -0.14 0.00 -0.26 0.00 0.00 60.65 61.76 1j8c s ILE 33 Cb -0.54 -3.81 -0.06 0.00 1.25 0.00 0.00 42.46 39.30 1j8c s ILE 33 CO 0.45 -0.78 0.51 -0.54 0.24 0.00 0.00 174.94 174.82 1j8c s LYS 34 N -4.45 3.97 -0.18 0.37 1.02 -1.26 -2.64 119.74 116.56 1j8c s LYS 34 Ca 0.51 0.46 -0.01 0.00 0.02 0.00 0.00 55.97 56.96 1j8c s LYS 34 Cb -0.10 -3.03 0.05 0.00 -0.52 0.00 0.00 37.83 34.22 1j8c s LYS 34 CO 0.41 0.55 -0.04 0.08 -0.92 0.00 0.00 175.35 175.42 1j8c s VAL 35 N -1.34 1.09 -0.72 3.17 1.01 -0.36 -1.92 120.40 121.32 1j8c s VAL 35 Ca 0.34 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1j8c s VAL 35 Cb -0.16 -1.32 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1j8c s VAL 35 CO 0.18 0.05 1.08 -0.89 0.00 0.00 0.00 175.10 175.52 1j8c s THR 36 N 1.63 4.20 -0.17 3.92 2.01 -1.07 -0.09 115.64 126.06 1j8c s THR 36 Ca -0.01 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1j8c s THR 36 Cb -0.16 -4.77 -0.04 0.00 0.01 0.00 0.00 72.50 67.54 1j8c s THR 36 CO -0.07 -1.58 0.38 -0.69 -0.69 0.00 0.00 174.62 171.96 1j8c s VAL 37 N 4.37 5.23 -0.22 3.82 1.01 -0.91 -2.54 120.40 131.17 1j8c s VAL 37 Ca 0.27 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 1j8c s VAL 37 Cb -0.13 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1j8c s VAL 37 CO 0.08 0.31 0.01 -0.54 0.00 0.00 0.00 175.10 174.96 1j8c s LYS 38 N 0.91 3.56 0.34 2.72 -0.14 -1.19 -2.31 119.74 123.63 1j8c s LYS 38 Ca 0.19 -0.54 0.10 0.00 -1.36 0.00 0.00 55.97 54.36 1j8c s LYS 38 Cb -0.14 -3.12 -0.06 0.00 -1.68 0.00 0.00 37.83 32.83 1j8c s LYS 38 CO 0.07 -0.09 -0.10 0.95 -0.76 0.00 0.00 175.35 175.41 1j8c s THR 39 N 1.27 2.28 -0.91 2.17 -4.23 -1.08 -2.62 115.64 112.52 1j8c s THR 39 Ca 0.04 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.25 1j8c s THR 39 Cb -0.15 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 1j8c s THR 39 CO 0.01 -0.22 2.10 -0.81 -0.54 0.00 0.00 174.62 175.16 1j8c n PRO 40 N -0.78 2.06 0.00 3.99 -0.04 -1.26 -2.97 135.00 136.00 1j8c n PRO 40 Ca -0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1j8c n PRO 40 Cb 0.63 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1j8c n PRO 40 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j8c n LYS 41 N 4.43 0.00 -3.85 0.54 3.00 -1.26 -5.16 118.16 115.86 1j8c n LYS 41 Ca 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.74 1j8c n LYS 41 Cb 0.15 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.19 1j8c n LYS 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1j8c s GLU 42 N -1.29 1.11 -0.17 1.64 -6.30 -1.16 -5.15 118.70 107.38 1j8c s GLU 42 Ca 0.00 -0.69 -0.03 0.00 -2.50 0.00 0.00 54.97 51.75 1j8c s GLU 42 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 34.13 34.44 1j8c s GLU 42 CO 0.00 -0.52 -0.05 0.21 0.02 0.00 0.00 175.26 174.92 1j8c s LYS 43 N -2.38 3.52 -0.04 4.30 2.20 -1.26 -2.62 119.74 123.47 1j8c s LYS 43 Ca 0.20 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 1j8c s LYS 43 Cb -0.01 -2.90 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1j8c s LYS 43 CO 0.03 0.08 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.86 1j8c s GLU 44 N 0.76 0.68 0.24 4.03 2.02 -0.98 -5.03 118.70 120.42 1j8c s GLU 44 Ca -0.02 -0.08 -0.15 0.00 0.02 0.00 0.00 54.97 54.73 1j8c s GLU 44 Cb -0.15 -0.71 -0.08 0.00 0.10 0.00 0.00 34.13 33.29 1j8c s GLU 44 CO 0.02 -0.06 0.66 -1.21 0.02 0.00 0.00 175.26 174.69 1j8c s GLU 45 N 0.78 4.01 0.05 1.61 2.02 -1.26 -2.14 118.70 123.77 1j8c s GLU 45 Ca -0.10 0.60 0.08 0.00 0.02 0.00 0.00 54.97 55.57 1j8c s GLU 45 Cb -0.13 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 1j8c s GLU 45 CO -0.00 0.31 -0.24 -0.06 0.02 0.00 0.00 175.26 175.29 1j8c s PHE 46 N -1.74 2.08 -0.17 1.61 0.40 0.88 -4.91 117.98 116.12 1j8c s PHE 46 Ca 0.47 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.32 1j8c s PHE 46 Cb -0.13 -1.24 -0.05 0.00 0.51 0.00 0.00 43.02 42.12 1j8c s PHE 46 CO 0.19 0.12 0.13 0.00 0.70 0.00 0.00 175.22 176.36 1j8c s ALA 47 N -0.82 3.73 -0.03 5.36 0.00 -1.26 -1.22 121.76 127.51 1j8c s ALA 47 Ca 0.10 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1j8c s ALA 47 Cb -0.09 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.94 1j8c s ALA 47 CO 0.02 0.31 0.12 0.14 0.00 0.00 0.00 175.76 176.35 1j8c s VAL 48 N -0.08 0.03 0.08 0.00 -7.23 -1.08 -4.98 120.40 107.13 1j8c s VAL 48 Ca 0.10 -0.23 -0.31 0.00 -1.81 0.00 0.00 61.98 59.73 1j8c s VAL 48 Cb -0.11 -0.25 -0.08 0.00 0.56 0.00 0.00 36.38 36.50 1j8c s VAL 48 CO -0.00 -0.13 1.46 -2.16 -0.31 0.00 0.00 175.10 173.96 1j8c s PRO 49 N -0.39 4.28 0.56 4.82 0.04 -1.26 0.28 135.00 143.33 1j8c s PRO 49 Ca -0.05 2.12 0.24 0.00 0.04 0.00 0.00 61.00 63.35 1j8c s PRO 49 Cb -0.03 -3.38 0.81 0.00 0.04 0.00 0.00 34.50 31.94 1j8c s PRO 49 CO 0.00 -0.54 1.19 -1.91 0.04 0.00 0.00 177.00 175.78 1j8c n GLU 50 N 4.58 0.01 -2.90 4.56 0.00 0.74 -1.11 120.64 126.53 1j8c n GLU 50 Ca 0.13 0.94 -0.32 0.00 0.00 0.00 0.00 57.16 57.91 1j8c n GLU 50 Cb 0.42 -2.35 -0.02 0.00 0.00 0.00 0.00 31.44 29.49 1j8c n GLU 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1j8c n ASN 51 N -3.07 5.35 0.00 4.31 5.15 -1.25 -4.61 115.26 121.15 1j8c n ASN 51 Ca 0.21 -3.66 0.00 0.00 -0.60 0.00 0.00 54.58 50.53 1j8c n ASN 51 Cb 1.41 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1j8c n SER 52 N -0.04 0.77 -3.47 1.20 2.88 -0.26 -5.02 113.62 109.68 1j8c n SER 52 Ca 0.35 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.78 1j8c n SER 52 Cb 0.35 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.79 1j8c n SER 52 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1j8c s SER 53 N 1.00 -0.53 0.37 -3.46 0.01 -1.26 -4.58 113.70 105.25 1j8c s SER 53 Ca 0.00 -0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.25 1j8c s SER 53 Cb 0.00 0.60 0.71 0.00 0.21 0.00 0.00 66.02 67.54 1j8c s SER 53 CO 0.00 -0.98 1.99 0.58 0.41 0.00 0.00 173.24 175.24 1j8c h VAL 54 N 2.00 1.15 -0.69 3.43 2.07 -1.82 -1.81 116.25 120.58 1j8c h VAL 54 Ca -0.32 -0.39 0.15 0.00 0.82 0.00 0.00 66.70 66.96 1j8c h VAL 54 Cb 1.30 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 31.49 1j8c h VAL 54 CO 0.36 0.17 0.10 1.56 0.02 0.00 0.00 177.57 179.78 1j8c h GLN 55 N 0.65 0.20 0.07 1.57 4.20 -1.90 1.29 115.11 121.18 1j8c h GLN 55 Ca 0.17 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.70 1j8c h GLN 55 Cb 0.03 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 27.78 1j8c h GLN 55 CO -0.03 0.13 -0.69 0.37 -0.67 0.00 0.00 178.83 177.94 1j8c h GLN 56 N 0.20 0.34 0.12 1.46 4.15 -1.88 -2.91 115.11 116.59 1j8c h GLN 56 Ca 0.38 -0.46 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1j8c h GLN 56 Cb 0.64 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1j8c h GLN 56 CO -0.52 1.17 -0.06 0.35 -1.93 0.00 0.00 178.83 177.84 1j8c h PHE 57 N -0.26 -0.15 -0.34 3.99 3.57 -0.63 0.79 116.94 123.90 1j8c h PHE 57 Ca -0.11 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.45 1j8c h PHE 57 Cb 1.47 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1j8c h PHE 57 CO 0.17 0.06 0.23 1.57 -2.23 0.00 0.00 178.31 178.12 1j8c h LYS 58 N -0.34 0.21 0.00 1.11 5.09 0.15 -0.24 116.57 122.55 1j8c h LYS 58 Ca -0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 60.65 60.63 1j8c h LYS 58 Cb 0.28 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.55 1j8c h LYS 58 CO 0.03 0.14 -0.55 1.49 -2.09 0.00 0.00 179.45 178.46 1j8c h GLU 59 N 0.21 0.00 -0.38 0.07 4.22 -1.27 -3.31 114.58 114.13 1j8c h GLU 59 Ca 0.15 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.51 1j8c h GLU 59 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1j8c h GLU 59 CO -0.03 0.30 -0.07 0.00 -2.18 0.00 0.00 179.01 177.03 1j8c h ALA 60 N 1.66 0.52 -0.66 2.92 0.00 0.10 -2.95 119.26 120.85 1j8c h ALA 60 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1j8c h ALA 60 Cb 1.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1j8c h ALA 60 CO 0.04 0.36 0.38 0.82 0.00 0.00 0.00 179.25 180.84 1j8c h ILE 61 N 0.52 1.19 -0.36 0.00 2.04 -1.59 -2.60 117.51 116.72 1j8c h ILE 61 Ca 0.10 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.57 1j8c h ILE 61 Cb 0.58 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1j8c h ILE 61 CO 0.03 0.21 -0.03 0.77 0.00 0.00 0.00 178.15 179.13 1j8c h SER 62 N 0.91 -0.20 0.25 1.72 4.64 -1.61 1.01 113.55 120.27 1j8c h SER 62 Ca 0.24 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1j8c h SER 62 Cb -0.00 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1j8c h SER 62 CO -0.04 -0.06 -0.12 0.50 -0.87 0.00 0.00 176.83 176.23 1j8c h LYS 63 N 0.07 -0.33 0.16 4.77 3.64 -1.51 0.19 116.57 123.56 1j8c h LYS 63 Ca 0.17 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1j8c h LYS 63 Cb 0.25 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1j8c h LYS 63 CO -0.31 0.02 -0.08 -0.09 -2.27 0.00 0.00 179.45 176.71 1j8c h ARG 64 N -0.75 -0.21 -0.31 1.90 9.65 -1.36 -3.30 114.38 120.00 1j8c h ARG 64 Ca -0.03 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 1j8c h ARG 64 Cb 0.50 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1j8c h ARG 64 CO 0.06 0.22 -0.28 0.35 2.80 0.00 0.00 179.97 183.12 1j8c h PHE 65 N -0.83 0.74 -3.93 2.20 3.04 0.89 -3.49 116.94 115.57 1j8c h PHE 65 Ca -0.02 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.75 1j8c h PHE 65 Cb 0.53 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1j8c h PHE 65 CO 0.08 0.86 -0.22 1.17 -2.02 0.00 0.00 178.31 178.18 1j8c n LYS 66 N -4.09 -1.01 -0.60 1.11 4.81 0.66 -5.00 118.16 114.05 1j8c n LYS 66 Ca -0.01 1.19 0.00 0.00 -0.87 0.00 0.00 58.31 58.62 1j8c n LYS 66 Cb 0.45 -3.19 0.00 0.00 0.02 0.00 0.00 35.03 32.31 1j8c n LYS 66 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1j8c n SER 67 N -0.37 0.00 -4.15 3.14 7.64 -1.22 -5.04 113.62 113.62 1j8c n SER 67 Ca 0.05 -0.45 -0.29 0.00 1.01 0.00 0.00 58.87 59.18 1j8c n SER 67 Cb 0.18 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.61 1j8c n SER 67 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1j8c s GLN 68 N -0.35 -1.05 0.08 1.43 0.74 -1.26 -4.77 119.66 114.48 1j8c s GLN 68 Ca 0.00 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.73 1j8c s GLN 68 Cb 0.00 -1.58 0.00 0.00 1.10 0.00 0.00 33.01 32.53 1j8c s GLN 68 CO 0.00 -3.68 0.00 2.41 -0.55 0.00 0.00 175.29 173.47 1j8c n THR 69 N -4.81 0.01 0.45 -0.34 -1.04 -1.26 -4.66 114.28 102.63 1j8c n THR 69 Ca 0.08 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.92 1j8c n THR 69 Cb 0.58 -0.53 -0.09 0.00 -1.82 0.00 0.00 70.33 68.47 1j8c n THR 69 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1j8c h ASP 70 N 0.00 -1.02 0.08 8.00 1.82 -1.95 -2.47 116.42 120.88 1j8c h ASP 70 Ca 0.00 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1j8c h ASP 70 Cb 0.02 0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 1j8c h ASP 70 CO 0.00 -0.70 -0.03 1.56 -1.61 0.00 0.00 179.24 178.45 1j8c h GLN 71 N -1.15 0.00 -5.86 0.28 4.20 -1.92 -3.42 115.11 107.24 1j8c h GLN 71 Ca -0.11 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.96 1j8c h GLN 71 Cb 0.89 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1j8c h GLN 71 CO 0.17 0.03 1.48 -0.11 -0.67 0.00 0.00 178.83 179.73 1j8c n LEU 72 N -3.83 2.02 -4.12 1.46 7.94 -0.93 -1.78 117.00 117.77 1j8c n LEU 72 Ca -0.03 0.28 -0.24 0.00 -1.11 0.00 0.00 56.01 54.91 1j8c n LEU 72 Cb 0.12 -1.28 -0.16 0.00 0.53 0.00 0.00 43.42 42.63 1j8c n LEU 72 CO 0.28 -0.83 -0.49 -0.69 -1.11 0.00 0.00 177.39 174.56 1j8c s VAL 73 N 8.05 1.28 0.19 1.96 1.01 -1.05 -4.94 120.40 126.89 1j8c s VAL 73 Ca 1.10 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1j8c s VAL 73 Cb -0.80 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1j8c s VAL 73 CO 0.46 0.37 0.08 -0.76 0.00 0.00 0.00 175.10 175.25 1j8c s LEU 74 N -0.09 3.56 -0.56 3.92 1.02 -1.14 -0.56 118.68 124.82 1j8c s LEU 74 Ca -0.00 -0.30 -0.05 0.00 0.02 0.00 0.00 54.13 53.80 1j8c s LEU 74 Cb -0.09 -2.16 0.15 0.00 0.02 0.00 0.00 46.19 44.10 1j8c s LEU 74 CO 0.01 0.06 0.40 -0.63 0.02 0.00 0.00 176.35 176.21 1j8c s ILE 75 N -1.84 3.91 -0.74 -0.59 -1.09 0.19 0.12 121.20 121.15 1j8c s ILE 75 Ca 0.30 -2.47 -0.23 0.00 -2.23 0.00 0.00 60.65 56.02 1j8c s ILE 75 Cb -0.09 -3.56 -0.17 0.00 -1.58 0.00 0.00 42.46 37.06 1j8c s ILE 75 CO 0.21 -0.83 1.90 0.33 -1.23 0.00 0.00 174.94 175.33 1j8c n PHE 76 N 4.07 1.80 -3.08 3.97 7.35 -0.85 -2.75 117.46 127.97 1j8c n PHE 76 Ca 0.03 -1.70 -0.16 0.00 -0.76 0.00 0.00 57.45 54.86 1j8c n PHE 76 Cb 0.40 -1.70 -0.04 0.00 0.35 0.00 0.00 39.48 38.49 1j8c n PHE 76 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1j8c n ALA 77 N 8.02 -1.03 0.00 3.13 0.00 -1.26 -2.78 120.51 126.59 1j8c n ALA 77 Ca 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1j8c n ALA 77 Cb 0.41 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1j8c n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j8c n GLY 78 N -1.26 0.50 0.00 0.00 0.00 -1.26 -5.13 105.19 98.03 1j8c n GLY 78 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1j8c n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1j8c n LYS 79 N 0.00 3.12 -3.70 1.61 2.85 -1.12 -5.08 118.16 115.84 1j8c n LYS 79 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 1j8c n LYS 79 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 1j8c n LYS 79 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1j8c s ILE 80 N 1.61 4.12 -0.93 0.58 -1.09 -1.26 -2.01 121.20 122.22 1j8c s ILE 80 Ca 0.00 -0.90 -0.23 0.00 -2.23 0.00 0.00 60.65 57.29 1j8c s ILE 80 Cb 0.00 -3.26 -0.14 0.00 -1.58 0.00 0.00 42.46 37.48 1j8c s ILE 80 CO 0.00 -0.12 1.92 -0.11 -1.23 0.00 0.00 174.94 175.40 1j8c n LEU 81 N 4.89 3.50 0.00 2.97 0.00 0.33 -4.74 117.00 123.95 1j8c n LEU 81 Ca -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 56.01 52.91 1j8c n LEU 81 Cb 0.46 -1.38 0.00 0.00 0.00 0.00 0.00 43.42 42.50 1j8c n LEU 81 CO 0.33 -1.11 0.00 1.17 0.00 0.00 0.00 177.39 177.78 1j8c n LYS 82 N 7.63 1.94 0.10 1.96 4.81 -1.26 -2.89 118.16 130.45 1j8c n LYS 82 Ca 0.47 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.03 1j8c n LYS 82 Cb 0.43 0.00 0.46 0.00 0.02 0.00 0.00 35.03 35.94 1j8c n LYS 82 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1j8c n ASP 83 N 0.00 0.58 -0.19 3.14 5.75 -1.26 -3.31 116.55 121.26 1j8c n ASP 83 Ca 0.00 0.61 0.23 0.00 -0.01 0.00 0.00 54.79 55.62 1j8c n ASP 83 Cb 0.00 -0.75 0.61 0.00 -1.03 0.00 0.00 41.12 39.96 1j8c n ASP 83 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1j8c h GLN 84 N 0.00 0.20 0.00 0.11 4.15 -1.95 -3.43 115.11 114.19 1j8c h GLN 84 Ca 0.00 -0.01 -0.26 0.00 0.77 0.00 0.00 58.65 59.15 1j8c h GLN 84 Cb 0.46 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 1j8c h GLN 84 CO 0.00 0.13 -0.23 -3.47 -1.93 0.00 0.00 178.83 173.33 1j8c n ASP 85 N -4.41 0.54 -4.83 -0.69 -0.08 -1.21 -5.14 116.55 100.73 1j8c n ASP 85 Ca 0.18 -2.08 -0.37 0.00 -1.51 0.00 0.00 54.79 51.01 1j8c n ASP 85 Cb 0.79 0.63 -0.07 0.00 2.34 0.00 0.00 41.12 44.81 1j8c n ASP 85 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1j8c s THR 86 N -2.44 5.44 0.16 5.18 2.01 -1.26 -4.26 115.64 120.47 1j8c s THR 86 Ca 0.14 0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.25 1j8c s THR 86 Cb 0.01 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 69.11 1j8c s THR 86 CO 0.10 0.56 1.73 0.25 -0.69 0.00 0.00 174.62 176.57 1j8c h LEU 87 N 5.49 0.05 -0.49 4.42 5.85 -1.85 0.29 115.31 129.09 1j8c h LEU 87 Ca -0.50 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1j8c h LEU 87 Cb 1.21 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1j8c h LEU 87 CO 0.64 0.06 0.00 0.16 -0.34 0.00 0.00 178.44 178.96 1j8c h ILE 88 N 0.23 0.00 -0.44 4.05 -0.00 -1.82 1.30 117.51 120.83 1j8c h ILE 88 Ca 0.18 -0.36 0.00 0.00 -0.00 0.00 0.00 64.86 64.69 1j8c h ILE 88 Cb 0.20 1.20 0.00 0.00 -0.00 0.00 0.00 36.82 38.23 1j8c h ILE 88 CO -0.22 0.00 0.00 1.67 -0.00 0.00 0.00 178.15 179.60 1j8c n GLN 89 N -2.32 2.50 0.00 0.16 7.27 -0.08 -4.78 117.38 120.13 1j8c n GLN 89 Ca 0.03 -2.22 0.00 0.00 0.07 0.00 0.00 57.00 54.89 1j8c n GLN 89 Cb 0.31 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.54 1j8c n GLN 89 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1j8c n HIS 90 N 1.14 -0.27 -0.31 3.69 -0.00 -0.23 -4.77 115.22 114.48 1j8c n HIS 90 Ca 0.17 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.32 1j8c n HIS 90 Cb 0.52 0.05 0.09 0.00 -0.12 0.00 0.00 29.99 30.54 1j8c n HIS 90 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1j8c h GLY 91 N 0.00 1.21 -6.11 1.57 0.00 -1.23 -3.42 103.07 95.08 1j8c h GLY 91 Ca 0.00 -0.43 -0.37 0.00 0.00 0.00 0.00 47.33 46.53 1j8c h GLY 91 CO 0.00 0.39 -0.76 -0.42 0.00 0.00 0.00 176.54 175.75 1j8c s ILE 92 N -6.12 0.39 -0.20 2.60 -1.09 0.44 -4.87 121.20 112.35 1j8c s ILE 92 Ca -0.13 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1j8c s ILE 92 Cb 0.16 -0.42 -0.21 0.00 -1.58 0.00 0.00 42.46 40.42 1j8c s ILE 92 CO 0.79 0.18 0.02 1.41 -1.23 0.00 0.00 174.94 176.10 1j8c n HIS 93 N 3.86 0.44 -1.97 3.97 8.25 -1.26 -4.34 115.22 124.18 1j8c n HIS 93 Ca -0.24 0.10 -0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1j8c n HIS 93 Cb 0.52 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.57 1j8c n HIS 93 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1j8c n ASP 94 N -3.29 -0.09 0.00 0.41 2.03 -1.26 -4.98 116.55 109.37 1j8c n ASP 94 Ca -0.39 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1j8c n ASP 94 Cb 1.02 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 1j8c n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j8c n GLY 95 N -0.05 0.67 0.00 0.27 0.00 -0.81 -4.46 105.19 100.81 1j8c n GLY 95 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1j8c n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8c n LEU 96 N 0.00 0.00 -4.58 0.99 4.32 -1.26 -4.88 117.00 111.59 1j8c n LEU 96 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 1j8c n LEU 96 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1j8c n LEU 96 CO 0.00 -0.25 -0.40 -0.89 -1.22 0.00 0.00 177.39 174.63 1j8c s THR 97 N 0.18 3.56 -0.01 -5.08 2.01 -1.26 -2.61 115.64 112.42 1j8c s THR 97 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1j8c s THR 97 Cb 0.00 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1j8c s THR 97 CO 0.00 0.38 -0.02 0.68 -0.69 0.00 0.00 174.62 174.97 1j8c s VAL 98 N -1.00 0.23 -0.34 3.82 -7.23 -1.05 -4.57 120.40 110.26 1j8c s VAL 98 Ca 0.17 -0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.06 1j8c s VAL 98 Cb -0.11 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.60 1j8c s VAL 98 CO 0.08 0.09 0.65 -1.00 -0.31 0.00 0.00 175.10 174.61 1j8c s HIS 99 N 0.25 3.16 0.04 2.82 3.76 -1.11 -3.14 115.29 121.08 1j8c s HIS 99 Ca -0.02 0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 55.06 1j8c s HIS 99 Cb -0.05 -3.13 -0.05 0.00 1.11 0.00 0.00 32.58 30.46 1j8c s HIS 99 CO -0.01 -0.60 0.83 -1.17 -0.85 0.00 0.00 174.74 172.95 1j8c s LEU 100 N 2.72 4.44 -0.30 0.89 0.20 -1.08 0.53 118.68 126.09 1j8c s LEU 100 Ca 0.25 1.53 -0.09 0.00 0.69 0.00 0.00 54.13 56.51 1j8c s LEU 100 Cb -0.14 -3.34 0.15 0.00 -0.43 0.00 0.00 46.19 42.42 1j8c s LEU 100 CO 0.14 -0.05 0.72 0.54 -0.29 0.00 0.00 176.35 177.41 1j8c s VAL 101 N 0.17 -0.88 0.18 1.68 0.11 0.27 -4.84 120.40 117.09 1j8c s VAL 101 Ca 0.42 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.17 1j8c s VAL 101 Cb -0.21 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.57 1j8c s VAL 101 CO 0.25 0.00 1.00 0.27 -3.33 0.00 0.00 175.10 173.28 1j8c s ILE 102 N 2.81 4.14 -2.99 7.04 -0.00 -1.26 -2.51 121.20 128.43 1j8c s ILE 102 Ca 0.00 1.93 0.24 0.00 -0.00 0.00 0.00 60.65 62.82 1j8c s ILE 102 Cb -0.11 -4.23 0.20 0.00 -0.00 0.00 0.00 42.46 38.31 1j8c s ILE 102 CO -0.19 0.37 1.27 0.29 -0.00 0.00 0.00 174.94 176.68