#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8c h ALA 2 N 0.00 0.68 -2.14 -5.12 0.00 -2.10 -3.46 119.26 107.13 1j8c h ALA 2 Ca 0.00 -0.54 -0.44 0.00 0.00 0.00 0.00 54.91 53.93 1j8c h ALA 2 Cb 0.00 -0.09 0.22 0.00 0.00 0.00 0.00 17.79 17.91 1j8c h ALA 2 CO 0.00 0.74 0.01 -1.83 0.00 0.00 0.00 179.25 178.17 1j8c s GLU 3 N -3.06 -0.95 -0.14 0.00 -1.05 -1.26 -4.97 118.70 107.28 1j8c s GLU 3 Ca 0.02 0.93 0.12 0.00 -0.15 0.00 0.00 54.97 55.89 1j8c s GLU 3 Cb 0.09 -1.54 -0.16 0.00 -0.44 0.00 0.00 34.13 32.07 1j8c s GLU 3 CO 0.75 -3.77 0.04 -1.71 0.95 0.00 0.00 175.26 171.52 1j8c n ASN 4 N -4.96 1.70 0.00 0.83 2.85 -1.26 -4.99 115.26 109.43 1j8c n ASN 4 Ca 0.03 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1j8c n ASN 4 Cb 0.54 0.79 0.00 0.00 1.24 0.00 0.00 39.78 42.35 1j8c n ASN 4 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j8c n GLY 5 N 2.19 -1.05 3.01 8.20 0.00 -1.26 -5.06 105.19 111.21 1j8c n GLY 5 Ca -0.22 0.84 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 1j8c n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j8c n GLU 6 N 0.00 -2.22 0.00 1.61 1.02 -1.26 -4.84 120.64 114.95 1j8c n GLU 6 Ca 0.00 1.93 0.15 0.00 -0.02 0.00 0.00 57.16 59.21 1j8c n GLU 6 Cb 0.00 -3.91 0.77 0.00 -0.02 0.00 0.00 31.44 28.28 1j8c n GLU 6 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1j8c n SER 7 N 0.39 0.00 -0.07 1.62 7.64 -1.26 -3.55 113.62 118.38 1j8c n SER 7 Ca 0.02 -0.27 -0.08 0.00 1.01 0.00 0.00 58.87 59.54 1j8c n SER 7 Cb 0.36 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 63.22 1j8c n SER 7 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1j8c n SER 8 N -1.24 1.76 0.00 6.43 2.88 -1.26 -5.12 113.62 117.07 1j8c n SER 8 Ca 0.15 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1j8c n SER 8 Cb 0.21 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1j8c n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j8c n GLY 9 N 2.24 -0.53 3.69 0.46 0.00 -1.23 -4.86 105.19 104.96 1j8c n GLY 9 Ca -0.25 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.36 4.34 0.98 1.61 0.04 -1.26 -5.02 135.00 134.32 1j8c s PRO 10 Ca 0.00 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1j8c s PRO 10 Cb 0.00 -3.51 0.17 0.00 0.04 0.00 0.00 34.50 31.20 1j8c s PRO 10 CO 0.00 -0.47 1.13 -1.25 0.04 0.00 0.00 177.00 176.45 1j8c s PRO 11 N 2.04 0.61 -1.07 0.56 0.04 -1.26 -4.29 135.00 131.63 1j8c s PRO 11 Ca 0.60 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.76 1j8c s PRO 11 Cb -0.29 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1j8c s PRO 11 CO 0.25 -2.56 0.80 0.54 0.04 0.00 0.00 177.00 176.07 1j8c n ARG 12 N -4.01 -1.40 0.00 4.56 5.12 -1.26 -4.84 116.66 114.83 1j8c n ARG 12 Ca 0.07 0.64 0.09 0.00 -1.93 0.00 0.00 57.85 56.72 1j8c n ARG 12 Cb 0.59 -4.42 0.44 0.00 -1.16 0.00 0.00 32.46 27.91 1j8c n ARG 12 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1j8c n PRO 13 N -3.71 0.12 -1.55 5.56 -0.04 -1.26 -4.76 135.00 129.35 1j8c n PRO 13 Ca -0.09 0.14 -0.44 0.00 -0.04 0.00 0.00 63.50 63.07 1j8c n PRO 13 Cb 0.59 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1j8c n PRO 13 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j8c n SER 14 N -1.41 2.79 0.12 3.54 3.41 -1.26 -4.55 113.62 116.26 1j8c n SER 14 Ca 0.07 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1j8c n SER 14 Cb 0.20 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 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 8.66 0.00 0.00 4.33 0.63 -1.26 -5.13 116.66 123.89 1j8c n ARG 15 Ca 0.34 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1j8c n ARG 15 Cb 0.40 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.31 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j8c n GLY 16 N 0.20 -2.21 3.79 5.14 0.00 -1.26 -5.14 105.19 105.72 1j8c n GLY 16 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 46.02 46.54 1j8c n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j8c s PRO 17 N 0.00 2.24 0.00 1.61 0.04 -1.26 -4.96 135.00 132.67 1j8c s PRO 17 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1j8c s PRO 17 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1j8c s PRO 17 CO 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 177.00 175.48 1j8c n ALA 18 N -3.42 0.00 -0.04 8.56 0.00 -1.26 -4.97 120.51 119.37 1j8c n ALA 18 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1j8c n ALA 18 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.89 1.52 -0.64 0.00 0.00 -1.26 -5.05 120.51 113.19 1j8c n ALA 19 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1j8c n ALA 19 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1j8c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 20 N -2.60 0.00 -3.76 0.00 0.00 -1.26 -4.86 120.51 108.03 1j8c n ALA 20 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1j8c n ALA 20 Cb 1.07 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.54 1j8c n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1j8c n GLN 21 N -0.17 -4.71 -2.32 0.00 7.27 -1.26 -4.89 117.38 111.30 1j8c n GLN 21 Ca 0.00 0.58 -0.42 0.00 0.07 0.00 0.00 57.00 57.23 1j8c n GLN 21 Cb 0.00 -5.10 -0.03 0.00 2.41 0.00 0.00 30.24 27.52 1j8c n GLN 21 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1j8c s GLY 22 N -4.26 2.21 -0.03 1.69 0.00 -1.26 -4.96 107.32 100.71 1j8c s GLY 22 Ca 0.07 0.94 -0.01 0.00 0.00 0.00 0.00 44.72 45.72 1j8c s GLY 22 CO 0.83 2.18 -0.02 1.76 0.00 0.00 0.00 173.10 177.85 1j8c h SER 23 N 6.88 0.00 -0.05 1.64 0.02 -2.03 -3.46 113.55 116.54 1j8c h SER 23 Ca -0.41 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.29 1j8c h SER 23 Cb 1.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.59 1j8c h SER 23 CO 0.84 0.16 -0.46 0.00 -1.14 0.00 0.00 176.83 176.23 1j8c n ALA 24 N -2.37 -0.73 -3.06 3.77 0.00 -1.26 -5.03 120.51 111.84 1j8c n ALA 24 Ca -0.01 -1.51 -0.18 0.00 0.00 0.00 0.00 53.44 51.75 1j8c n ALA 24 Cb 0.03 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 1j8c n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 25 N 0.40 1.24 -2.73 0.00 0.00 -1.26 -4.94 120.51 113.22 1j8c n ALA 25 Ca 0.07 -2.82 -0.09 0.00 0.00 0.00 0.00 53.44 50.60 1j8c n ALA 25 Cb 0.70 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1j8c n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c s ALA 26 N -1.06 -0.49 -1.19 0.00 0.00 -1.26 -5.06 121.76 112.70 1j8c s ALA 26 Ca 0.34 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 1j8c s ALA 26 Cb 0.25 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1j8c s ALA 26 CO -0.12 -0.56 1.89 -0.35 0.00 0.00 0.00 175.76 176.62 1j8c n PRO 27 N -0.13 2.08 0.09 0.00 -0.04 -1.26 -4.38 135.00 131.37 1j8c n PRO 27 Ca -0.15 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.66 1j8c n PRO 27 Cb 0.63 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 1j8c n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c n ALA 28 N 11.85 3.00 -3.81 0.55 0.00 -1.26 -5.01 120.51 125.83 1j8c n ALA 28 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 1j8c n ALA 28 Cb 0.46 0.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 1j8c n ALA 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j8c s GLU 29 N -1.99 1.24 0.00 0.00 8.01 -1.26 -5.04 118.70 119.65 1j8c s GLU 29 Ca 0.00 -1.77 0.00 0.00 0.01 0.00 0.00 54.97 53.21 1j8c s GLU 29 Cb 0.00 -2.53 0.00 0.00 -4.31 0.00 0.00 34.13 27.29 1j8c s GLU 29 CO 0.00 -1.06 0.00 -0.35 0.01 0.00 0.00 175.26 173.86 1j8c n PRO 30 N 4.04 0.00 -4.32 0.39 -0.04 -1.26 -4.32 135.00 129.49 1j8c n PRO 30 Ca 0.04 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 1j8c n PRO 30 Cb 0.38 -0.14 -0.05 0.00 -0.04 0.00 0.00 33.50 33.65 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 -2.16 -1.74 0.54 5.02 -1.26 -1.28 118.16 117.29 1j8c n LYS 31 Ca 0.00 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.14 1j8c n LYS 31 Cb 0.00 -4.78 -0.01 0.00 -0.02 0.00 0.00 35.03 30.22 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 -4.30 1.47 -4.16 -0.18 -0.00 -1.26 -1.90 119.36 109.03 1j8c n ILE 32 Ca 0.02 -0.37 -0.22 0.00 -0.00 0.00 0.00 62.75 62.18 1j8c n ILE 32 Cb 0.52 -1.84 -0.05 0.00 -0.00 0.00 0.00 39.64 38.27 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 -0.53 4.17 -0.10 1.39 -4.36 0.10 -4.81 121.20 117.06 1j8c s ILE 33 Ca 0.60 -1.54 -0.15 0.00 -0.26 0.00 0.00 60.65 59.30 1j8c s ILE 33 Cb -0.52 -3.25 -0.05 0.00 1.25 0.00 0.00 42.46 39.89 1j8c s ILE 33 CO 0.56 -0.36 0.36 -0.54 0.24 0.00 0.00 174.94 175.20 1j8c s LYS 34 N -3.80 4.12 -0.13 0.37 1.02 -1.26 -2.65 119.74 117.40 1j8c s LYS 34 Ca 0.33 0.25 -0.00 0.00 0.02 0.00 0.00 55.97 56.56 1j8c s LYS 34 Cb -0.07 -3.35 0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1j8c s LYS 34 CO 0.24 0.39 -0.08 0.54 -0.92 0.00 0.00 175.35 175.51 1j8c s VAL 35 N -0.05 1.14 -0.35 3.17 0.11 -0.40 -2.10 120.40 121.92 1j8c s VAL 35 Ca 0.21 -0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 58.66 1j8c s VAL 35 Cb -0.14 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1j8c s VAL 35 CO 0.08 0.33 0.42 -0.89 -3.33 0.00 0.00 175.10 171.71 1j8c s THR 36 N 1.65 5.11 -0.18 5.04 2.01 -0.51 0.31 115.64 129.07 1j8c s THR 36 Ca 0.04 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 1j8c s THR 36 Cb -0.13 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1j8c s THR 36 CO -0.09 -0.17 0.04 -0.69 -0.69 0.00 0.00 174.62 173.03 1j8c s VAL 37 N 2.15 4.59 -0.24 3.82 1.01 -0.81 -2.52 120.40 128.39 1j8c s VAL 37 Ca 0.14 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1j8c s VAL 37 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1j8c s VAL 37 CO 0.12 0.46 0.33 -0.75 0.00 0.00 0.00 175.10 175.27 1j8c s LYS 38 N 0.45 4.07 0.39 2.72 2.36 -1.05 -2.66 119.74 126.02 1j8c s LYS 38 Ca 0.02 0.02 0.06 0.00 -2.55 0.00 0.00 55.97 53.51 1j8c s LYS 38 Cb -0.13 -3.60 -0.07 0.00 -1.05 0.00 0.00 37.83 32.98 1j8c s LYS 38 CO 0.01 -0.14 0.03 0.95 1.55 0.00 0.00 175.35 177.75 1j8c s THR 39 N 1.65 1.66 -0.67 3.43 -4.23 -1.07 -2.34 115.64 114.07 1j8c s THR 39 Ca 0.14 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.84 1j8c s THR 39 Cb -0.15 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 70.99 1j8c s THR 39 CO 0.08 0.00 1.56 -0.81 -0.54 0.00 0.00 174.62 174.91 1j8c n PRO 40 N -0.90 0.10 -0.11 3.99 -0.04 -1.26 -3.21 135.00 133.58 1j8c n PRO 40 Ca -0.05 0.40 -0.22 0.00 -0.04 0.00 0.00 63.50 63.58 1j8c n PRO 40 Cb 0.67 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1j8c n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j8c n LYS 41 N -1.92 0.56 -3.92 0.54 4.01 -1.26 -5.09 118.16 111.09 1j8c n LYS 41 Ca 0.02 0.47 0.01 0.00 -0.51 0.00 0.00 58.31 58.30 1j8c n LYS 41 Cb 0.17 -1.66 0.01 0.00 -0.51 0.00 0.00 35.03 33.04 1j8c n LYS 41 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1j8c s GLU 42 N -2.41 0.69 -0.23 1.97 -1.05 -1.20 -5.14 118.70 111.34 1j8c s GLU 42 Ca -0.30 -0.44 -0.12 0.00 -0.15 0.00 0.00 54.97 53.96 1j8c s GLU 42 Cb 0.08 0.20 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 1j8c s GLU 42 CO 0.52 -0.33 0.20 0.15 0.95 0.00 0.00 175.26 176.76 1j8c s LYS 43 N -2.12 4.11 -0.02 -4.83 3.01 -1.26 -2.60 119.74 116.03 1j8c s LYS 43 Ca 0.25 -0.17 0.01 0.00 -1.01 0.00 0.00 55.97 55.06 1j8c s LYS 43 Cb -0.01 -3.52 0.01 0.00 -1.01 0.00 0.00 37.83 33.30 1j8c s LYS 43 CO 0.01 0.08 -0.05 -1.21 0.51 0.00 0.00 175.35 174.69 1j8c s GLU 44 N 1.00 0.62 0.26 1.68 2.02 -1.09 -5.00 118.70 118.19 1j8c s GLU 44 Ca 0.10 -0.15 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 1j8c s GLU 44 Cb -0.13 -0.63 -0.07 0.00 0.10 0.00 0.00 34.13 33.40 1j8c s GLU 44 CO 0.04 0.02 0.58 -1.21 0.02 0.00 0.00 175.26 174.72 1j8c s GLU 45 N 0.39 3.79 0.10 1.61 2.02 -1.26 -1.93 118.70 123.42 1j8c s GLU 45 Ca -0.05 0.28 0.06 0.00 0.02 0.00 0.00 54.97 55.28 1j8c s GLU 45 Cb -0.08 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 1j8c s GLU 45 CO -0.00 0.26 -0.15 -0.06 0.02 0.00 0.00 175.26 175.33 1j8c s PHE 46 N -1.91 1.38 -0.15 1.61 0.08 0.15 -4.92 117.98 114.22 1j8c s PHE 46 Ca 0.48 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.98 1j8c s PHE 46 Cb -0.11 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 1j8c s PHE 46 CO 0.23 0.12 0.03 0.00 -0.10 0.00 0.00 175.22 175.50 1j8c s ALA 47 N -1.68 3.31 -0.03 5.36 0.00 -1.26 -1.28 121.76 126.19 1j8c s ALA 47 Ca 0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 1j8c s ALA 47 Cb -0.08 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.33 1j8c s ALA 47 CO 0.03 0.33 0.11 0.14 0.00 0.00 0.00 175.76 176.37 1j8c s VAL 48 N -0.07 0.03 0.12 0.00 -7.23 -1.09 -4.95 120.40 107.21 1j8c s VAL 48 Ca 0.05 -0.28 -0.31 0.00 -1.81 0.00 0.00 61.98 59.63 1j8c s VAL 48 Cb -0.12 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 1j8c s VAL 48 CO 0.02 -0.15 1.50 -2.16 -0.31 0.00 0.00 175.10 173.99 1j8c s PRO 49 N -0.48 4.26 0.64 4.82 0.04 -1.26 0.01 135.00 143.03 1j8c s PRO 49 Ca -0.06 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1j8c s PRO 49 Cb -0.04 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1j8c s PRO 49 CO 0.00 -0.56 0.97 -1.91 0.04 0.00 0.00 177.00 175.55 1j8c n GLU 50 N 4.33 0.03 -1.54 4.56 0.00 -0.40 0.44 120.64 128.06 1j8c n GLU 50 Ca 0.13 0.92 -0.24 0.00 0.00 0.00 0.00 57.16 57.97 1j8c n GLU 50 Cb 0.41 -2.50 0.08 0.00 0.00 0.00 0.00 31.44 29.43 1j8c n GLU 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1j8c n ASN 51 N -2.45 5.44 -0.52 4.31 6.94 -1.26 -4.59 115.26 123.13 1j8c n ASN 51 Ca 0.00 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 50.79 1j8c n ASN 51 Cb 0.98 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1j8c n ASN 51 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1j8c n SER 52 N -0.87 0.00 -3.47 0.53 3.41 0.17 -4.98 113.62 108.41 1j8c n SER 52 Ca 0.49 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.98 1j8c n SER 52 Cb 0.89 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 1j8c n SER 52 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j8c s SER 53 N -1.00 -0.54 0.34 4.04 0.15 -1.26 -4.61 113.70 110.82 1j8c s SER 53 Ca 0.00 0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.87 1j8c s SER 53 Cb 0.00 0.53 0.60 0.00 -1.71 0.00 0.00 66.02 65.44 1j8c s SER 53 CO 0.00 -0.79 1.89 0.58 1.20 0.00 0.00 173.24 176.13 1j8c h VAL 54 N 2.25 1.19 -0.68 4.45 2.07 -1.80 -2.43 116.25 121.30 1j8c h VAL 54 Ca -0.29 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 66.68 1j8c h VAL 54 Cb 1.25 0.81 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 1j8c h VAL 54 CO 0.36 0.25 0.08 -0.61 0.02 0.00 0.00 177.57 177.67 1j8c h GLN 55 N 0.57 0.18 0.00 1.57 4.15 -1.90 1.16 115.11 120.85 1j8c h GLN 55 Ca 0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1j8c h GLN 55 Cb 0.26 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1j8c h GLN 55 CO 0.00 0.12 -0.05 0.37 -1.93 0.00 0.00 178.83 177.34 1j8c h GLN 56 N 0.18 0.03 0.03 1.69 4.15 -1.94 -2.90 115.11 116.36 1j8c h GLN 56 Ca 0.37 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.75 1j8c h GLN 56 Cb 0.61 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1j8c h GLN 56 CO -0.53 0.84 -0.01 0.35 -1.93 0.00 0.00 178.83 177.55 1j8c h PHE 57 N -0.76 -0.03 -0.25 3.99 3.57 -0.96 0.32 116.94 122.82 1j8c h PHE 57 Ca -0.01 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1j8c h PHE 57 Cb 0.86 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1j8c h PHE 57 CO 0.21 -0.01 0.17 1.57 -2.23 0.00 0.00 178.31 178.03 1j8c h LYS 58 N -0.05 0.07 0.00 1.11 5.09 0.12 -0.59 116.57 122.32 1j8c h LYS 58 Ca -0.00 -0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.56 1j8c h LYS 58 Cb 0.04 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.33 1j8c h LYS 58 CO 0.01 0.04 -1.08 1.49 -2.09 0.00 0.00 179.45 177.82 1j8c h GLU 59 N 0.07 0.00 -0.42 0.07 4.22 -1.16 -3.33 114.58 114.03 1j8c h GLU 59 Ca 0.11 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.45 1j8c h GLU 59 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1j8c h GLU 59 CO -0.01 0.51 -0.16 0.00 -2.18 0.00 0.00 179.01 177.17 1j8c h ALA 60 N 1.32 0.59 0.00 2.92 0.00 0.12 -2.81 119.26 121.39 1j8c h ALA 60 Ca -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1j8c h ALA 60 Cb 1.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1j8c h ALA 60 CO 0.07 0.52 -0.03 0.97 0.00 0.00 0.00 179.25 180.78 1j8c h ILE 61 N 0.67 1.01 -0.52 0.00 2.10 -1.49 -2.38 117.51 116.89 1j8c h ILE 61 Ca 0.10 -0.10 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 1j8c h ILE 61 Cb 0.71 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 37.47 1j8c h ILE 61 CO 0.05 0.03 0.25 -1.28 -1.08 0.00 0.00 178.15 176.13 1j8c h SER 62 N 0.00 0.68 -0.24 2.19 0.87 -1.60 -0.49 113.55 114.96 1j8c h SER 62 Ca -0.00 -0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1j8c h SER 62 Cb 0.05 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1j8c h SER 62 CO 0.00 0.62 0.07 0.11 -0.53 0.00 0.00 176.83 177.10 1j8c h LYS 63 N 0.70 0.17 0.13 2.24 1.79 -1.46 1.35 116.57 121.48 1j8c h LYS 63 Ca 0.18 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1j8c h LYS 63 Cb 0.11 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1j8c h LYS 63 CO -0.02 0.11 -0.06 -0.09 -1.08 0.00 0.00 179.45 178.31 1j8c h ARG 64 N 0.18 -0.16 -0.34 3.15 2.43 -1.54 -3.27 114.38 114.82 1j8c h ARG 64 Ca 0.11 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1j8c h ARG 64 Cb 0.08 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1j8c h ARG 64 CO -0.12 0.29 -0.20 0.74 -1.51 0.00 0.00 179.97 179.17 1j8c h PHE 65 N -0.73 0.72 -4.18 2.20 0.04 -1.07 -3.48 116.94 110.45 1j8c h PHE 65 Ca -0.02 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1j8c h PHE 65 Cb 0.53 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1j8c h PHE 65 CO 0.09 0.80 -0.30 1.63 -0.60 0.00 0.00 178.31 179.93 1j8c n LYS 66 N -4.13 -1.33 0.00 1.51 5.02 0.46 -5.06 118.16 114.63 1j8c n LYS 66 Ca 0.00 1.40 0.00 0.00 -2.02 0.00 0.00 58.31 57.69 1j8c n LYS 66 Cb 0.40 -3.63 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 1j8c n LYS 66 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1j8c n SER 67 N -0.29 0.00 -4.81 4.39 3.41 -1.24 -5.06 113.62 110.02 1j8c n SER 67 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.35 1j8c n SER 67 Cb 0.20 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 1j8c n SER 67 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1j8c s GLN 68 N 1.52 3.14 0.00 4.33 -1.52 -1.26 -4.96 119.66 120.92 1j8c s GLN 68 Ca 0.00 1.06 0.00 0.00 -1.95 0.00 0.00 55.36 54.47 1j8c s GLN 68 Cb 0.00 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 1j8c s GLN 68 CO 0.00 -0.94 0.00 2.41 -0.25 0.00 0.00 175.29 176.51 1j8c n THR 69 N -2.60 0.00 0.29 -0.19 -1.04 -1.26 -4.47 114.28 105.01 1j8c n THR 69 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1j8c n THR 69 Cb 0.53 -0.42 -0.07 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.95 0.68 8.00 3.58 -1.94 -2.73 116.42 123.06 1j8c h ASP 70 Ca 0.00 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1j8c h ASP 70 Cb 0.57 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1j8c h ASP 70 CO 0.00 -0.54 -0.26 1.56 -2.88 0.00 0.00 179.24 177.12 1j8c h GLN 71 N -0.86 0.00 -6.27 0.28 1.08 -1.89 -3.43 115.11 104.03 1j8c h GLN 71 Ca -0.07 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.58 1j8c h GLN 71 Cb 0.70 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1j8c h GLN 71 CO 0.05 0.26 1.19 -1.17 -0.95 0.00 0.00 178.83 178.21 1j8c s LEU 72 N -7.17 4.19 0.19 1.46 0.20 -1.03 -2.49 118.68 114.02 1j8c s LEU 72 Ca -0.01 2.24 -0.01 0.00 0.69 0.00 0.00 54.13 57.05 1j8c s LEU 72 Cb 0.12 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.31 1j8c s LEU 72 CO 0.65 -1.14 0.10 0.68 -0.29 0.00 0.00 176.35 176.34 1j8c s VAL 73 N 4.86 0.14 0.04 1.68 -7.23 -1.08 -4.85 120.40 113.96 1j8c s VAL 73 Ca 0.81 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 1j8c s VAL 73 Cb -0.35 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1j8c s VAL 73 CO 0.34 -0.15 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.19 1j8c s LEU 74 N -3.15 3.35 -0.71 1.32 2.01 -1.12 -1.65 118.68 118.73 1j8c s LEU 74 Ca 0.34 -0.14 -0.12 0.00 0.01 0.00 0.00 54.13 54.22 1j8c s LEU 74 Cb 0.07 -2.00 0.18 0.00 0.01 0.00 0.00 46.19 44.46 1j8c s LEU 74 CO 0.09 0.24 0.63 -0.63 1.01 0.00 0.00 176.35 177.68 1j8c s ILE 75 N -1.15 5.10 -1.12 -0.59 -1.09 0.20 0.12 121.20 122.67 1j8c s ILE 75 Ca 0.21 -2.31 -0.12 0.00 -2.23 0.00 0.00 60.65 56.20 1j8c s ILE 75 Cb -0.11 -4.21 -0.07 0.00 -1.58 0.00 0.00 42.46 36.49 1j8c s ILE 75 CO 0.12 -0.95 2.25 0.33 -1.23 0.00 0.00 174.94 175.47 1j8c n PHE 76 N 4.21 2.10 -3.22 3.97 7.35 -0.62 -2.77 117.46 128.48 1j8c n PHE 76 Ca 0.06 -2.33 -0.25 0.00 -0.76 0.00 0.00 57.45 54.17 1j8c n PHE 76 Cb 0.44 -2.01 0.03 0.00 0.35 0.00 0.00 39.48 38.29 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 5.30 -2.62 0.00 3.13 0.00 -1.26 -2.62 120.51 122.43 1j8c n ALA 77 Ca 0.54 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.68 1j8c n ALA 77 Cb 0.27 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 -0.27 2.03 3.81 0.00 0.00 -1.26 -4.96 105.19 104.53 1j8c n GLY 78 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1j8c n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j8c s LYS 79 N 0.00 -0.10 -0.32 1.61 1.02 -1.08 -5.03 119.74 115.83 1j8c s LYS 79 Ca 0.00 -0.30 -0.00 0.00 0.02 0.00 0.00 55.97 55.68 1j8c s LYS 79 Cb 0.00 -1.75 0.07 0.00 -0.52 0.00 0.00 37.83 35.63 1j8c s LYS 79 CO 0.00 -2.93 0.03 0.42 -0.92 0.00 0.00 175.35 171.95 1j8c s ILE 80 N -3.57 2.82 -0.80 2.17 -1.09 -1.26 -1.60 121.20 117.88 1j8c s ILE 80 Ca 0.73 -1.69 -0.23 0.00 -2.23 0.00 0.00 60.65 57.23 1j8c s ILE 80 Cb -0.06 -2.75 -0.16 0.00 -1.58 0.00 0.00 42.46 37.91 1j8c s ILE 80 CO 0.54 -0.28 1.90 -0.11 -1.23 0.00 0.00 174.94 175.76 1j8c n LEU 81 N 4.53 3.64 0.00 2.97 0.00 0.31 -4.71 117.00 123.74 1j8c n LEU 81 Ca -0.09 -2.84 0.00 0.00 0.00 0.00 0.00 56.01 53.08 1j8c n LEU 81 Cb 0.43 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.65 1j8c n LEU 81 CO 0.26 -0.80 0.00 1.17 0.00 0.00 0.00 177.39 178.02 1j8c n LYS 82 N 7.34 2.80 0.17 1.96 4.81 -1.26 -2.80 118.16 131.17 1j8c n LYS 82 Ca 0.48 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 58.06 1j8c n LYS 82 Cb 0.42 0.00 0.48 0.00 0.02 0.00 0.00 35.03 35.94 1j8c n LYS 82 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1j8c h ASP 83 N 0.00 0.00 -0.79 3.14 2.03 -1.87 -3.14 116.42 115.80 1j8c h ASP 83 Ca 0.00 0.00 0.20 0.00 -0.73 0.00 0.00 57.03 56.50 1j8c h ASP 83 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 1j8c h ASP 83 CO 0.00 0.00 0.54 -0.61 -1.03 0.00 0.00 179.24 178.14 1j8c h GLN 84 N 0.00 0.20 -5.01 4.15 4.15 -1.95 -3.43 115.11 113.22 1j8c h GLN 84 Ca 0.00 -0.01 -0.39 0.00 0.77 0.00 0.00 58.65 59.02 1j8c h GLN 84 Cb 0.57 -0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.08 1j8c h GLN 84 CO 0.00 0.13 -0.62 0.34 -1.93 0.00 0.00 178.83 176.76 1j8c s ASP 85 N -5.83 1.63 0.03 -0.69 2.15 -1.19 -5.13 116.67 107.64 1j8c s ASP 85 Ca -0.07 -1.37 -0.20 0.00 0.43 0.00 0.00 52.55 51.34 1j8c s ASP 85 Cb 0.21 0.07 -0.06 0.00 -0.30 0.00 0.00 42.92 42.84 1j8c s ASP 85 CO 0.77 -0.67 0.60 -0.89 -0.17 0.00 0.00 175.17 174.80 1j8c s THR 86 N -3.58 4.82 0.17 1.71 2.01 -1.26 -4.28 115.64 115.22 1j8c s THR 86 Ca 0.37 1.27 -0.15 0.00 0.31 0.00 0.00 61.69 63.48 1j8c s THR 86 Cb 0.08 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.71 1j8c s THR 86 CO 0.14 0.47 1.74 0.25 -0.69 0.00 0.00 174.62 176.53 1j8c h LEU 87 N 5.18 0.11 -0.52 4.42 5.85 -1.86 -0.13 115.31 128.35 1j8c h LEU 87 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1j8c h LEU 87 Cb 1.21 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1j8c h LEU 87 CO 0.67 0.10 0.00 0.16 -0.34 0.00 0.00 178.44 179.03 1j8c h ILE 88 N 0.27 0.00 -0.00 4.05 -2.65 -1.81 0.54 117.51 117.91 1j8c h ILE 88 Ca 0.19 -0.37 0.00 0.00 1.03 0.00 0.00 64.86 65.71 1j8c h ILE 88 Cb 0.19 1.23 0.00 0.00 -2.05 0.00 0.00 36.82 36.19 1j8c h ILE 88 CO -0.21 0.00 -0.48 1.67 0.03 0.00 0.00 178.15 179.16 1j8c n GLN 89 N -2.37 0.11 0.00 0.16 7.27 -0.13 -4.78 117.38 117.64 1j8c n GLN 89 Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1j8c n GLN 89 Cb 0.31 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.47 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 -1.38 0.00 -0.27 3.69 -0.00 -0.81 -4.90 115.22 111.55 1j8c n HIS 90 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1j8c n HIS 90 Cb 0.34 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.41 1j8c n HIS 90 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1j8c h GLY 91 N 0.00 1.07 -5.66 1.57 0.00 -1.20 -3.43 103.07 95.42 1j8c h GLY 91 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 47.33 46.70 1j8c h GLY 91 CO 0.00 0.31 -0.73 -0.42 0.00 0.00 0.00 176.54 175.70 1j8c s ILE 92 N -6.12 0.13 -0.19 2.60 -1.09 0.18 -4.81 121.20 111.90 1j8c s ILE 92 Ca -0.13 -0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.32 1j8c s ILE 92 Cb 0.16 -0.14 -0.16 0.00 -1.58 0.00 0.00 42.46 40.73 1j8c s ILE 92 CO 0.78 0.05 -0.09 1.41 -1.23 0.00 0.00 174.94 175.86 1j8c n HIS 93 N 3.24 0.00 0.00 3.97 8.25 -1.26 -4.49 115.22 124.92 1j8c n HIS 93 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1j8c n HIS 93 Cb 0.58 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1j8c n HIS 93 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1j8c n ASP 94 N -2.92 0.00 0.00 0.41 5.75 -1.26 -4.97 116.55 113.56 1j8c n ASP 94 Ca -0.33 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 1j8c n ASP 94 Cb 0.95 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 1j8c n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j8c n GLY 95 N 0.00 0.54 3.73 6.12 0.00 -0.89 -4.52 105.19 110.16 1j8c n GLY 95 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1j8c n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8c s LEU 96 N 0.00 3.16 0.08 0.99 1.02 -1.21 -4.94 118.68 117.78 1j8c s LEU 96 Ca 0.00 -0.95 0.09 0.00 0.02 0.00 0.00 54.13 53.29 1j8c s LEU 96 Cb 0.00 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 1j8c s LEU 96 CO 0.00 -0.42 -0.23 -0.89 0.02 0.00 0.00 176.35 174.83 1j8c s THR 97 N -2.52 2.47 0.01 5.49 2.01 -1.26 -1.42 115.64 120.41 1j8c s THR 97 Ca 0.39 -1.46 -0.07 0.00 0.31 0.00 0.00 61.69 60.86 1j8c s THR 97 Cb 0.01 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1j8c s THR 97 CO 0.22 0.23 0.13 0.54 -0.69 0.00 0.00 174.62 175.05 1j8c s VAL 98 N -0.97 0.09 -0.22 3.82 0.11 -1.05 -4.83 120.40 117.36 1j8c s VAL 98 Ca 0.14 -0.75 -0.19 0.00 -2.93 0.00 0.00 61.98 58.25 1j8c s VAL 98 Cb -0.10 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1j8c s VAL 98 CO 0.05 -0.41 0.57 -2.28 -3.33 0.00 0.00 175.10 169.71 1j8c s HIS 99 N -1.53 3.34 0.38 1.54 2.46 -1.12 -2.51 115.29 117.84 1j8c s HIS 99 Ca -0.14 0.81 -0.18 0.00 0.47 0.00 0.00 55.06 56.02 1j8c s HIS 99 Cb -0.07 -2.75 -0.10 0.00 -0.13 0.00 0.00 32.58 29.53 1j8c s HIS 99 CO 0.01 -0.20 0.84 -1.17 -2.47 0.00 0.00 174.74 171.75 1j8c s LEU 100 N 1.99 4.00 -0.29 8.88 0.20 -0.99 0.60 118.68 133.08 1j8c s LEU 100 Ca 0.25 1.48 -0.17 0.00 0.69 0.00 0.00 54.13 56.38 1j8c s LEU 100 Cb -0.16 -4.31 0.13 0.00 -0.43 0.00 0.00 46.19 41.43 1j8c s LEU 100 CO 0.10 -0.28 0.95 0.54 -0.29 0.00 0.00 176.35 177.36 1j8c s VAL 101 N -2.08 0.00 -0.13 1.68 0.11 -0.66 -4.89 120.40 114.44 1j8c s VAL 101 Ca 0.58 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.48 1j8c s VAL 101 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1j8c s VAL 101 CO 0.15 0.00 0.35 0.27 -3.33 0.00 0.00 175.10 172.54 1j8c s ILE 102 N 1.22 5.25 -2.46 7.04 -5.25 -1.26 -2.63 121.20 123.11 1j8c s ILE 102 Ca -0.07 0.67 0.28 0.00 -0.99 0.00 0.00 60.65 60.54 1j8c s ILE 102 Cb -0.04 -3.68 0.58 0.00 2.95 0.00 0.00 42.46 42.27 1j8c s ILE 102 CO -0.14 0.40 1.78 1.17 -1.79 0.00 0.00 174.94 176.36