#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 1.49 -0.77 -5.12 0.00 -1.26 -5.16 120.51 109.70 1j8c n ALA 2 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1j8c n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.98 -1.03 -3.28 0.00 1.02 -1.26 -4.14 120.64 109.98 1j8c n GLU 3 Ca 0.00 0.68 -0.45 0.00 -0.02 0.00 0.00 57.16 57.37 1j8c n GLU 3 Cb 0.00 -1.26 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 -4.45 7.23 0.00 1.62 0.01 -1.26 -4.93 114.94 113.17 1j8c s ASN 4 Ca 0.00 -3.42 0.00 0.00 -0.71 0.00 0.00 52.86 48.73 1j8c s ASN 4 Cb 0.00 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1j8c s ASN 4 CO 0.00 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 1j8c n GLY 5 N 3.05 0.66 2.95 0.66 0.00 -1.26 -5.04 105.19 106.21 1j8c n GLY 5 Ca 0.25 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 1j8c n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j8c s GLU 6 N -3.70 0.48 -0.55 1.61 2.02 -1.26 -5.01 118.70 112.28 1j8c s GLU 6 Ca 0.00 0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.07 1j8c s GLU 6 Cb 0.00 -0.25 0.56 0.00 0.10 0.00 0.00 34.13 34.54 1j8c s GLU 6 CO 0.00 -1.06 1.97 0.43 0.02 0.00 0.00 175.26 176.62 1j8c n SER 7 N 5.20 5.66 -4.69 -0.19 7.64 -1.26 -4.94 113.62 121.05 1j8c n SER 7 Ca 0.03 -3.70 -0.35 0.00 1.01 0.00 0.00 58.87 55.86 1j8c n SER 7 Cb 0.50 -0.90 -0.09 0.00 -1.01 0.00 0.00 64.21 62.71 1j8c n SER 7 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j8c s SER 8 N -1.57 5.84 0.14 6.43 0.01 -1.26 -5.10 113.70 118.19 1j8c s SER 8 Ca 0.61 0.16 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1j8c s SER 8 Cb 0.49 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1j8c s SER 8 CO 0.05 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1j8c n GLY 9 N 3.33 -0.24 3.76 3.44 0.00 -1.26 -5.01 105.19 109.21 1j8c n GLY 9 Ca -0.17 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 0.03 4.53 0.93 1.61 0.04 -1.26 -5.03 135.00 135.85 1j8c s PRO 10 Ca 0.00 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1j8c s PRO 10 Cb 0.00 -3.10 0.15 0.00 0.04 0.00 0.00 34.50 31.59 1j8c s PRO 10 CO 0.00 0.10 1.11 -1.25 0.04 0.00 0.00 177.00 177.01 1j8c s PRO 11 N -1.61 0.99 0.05 0.56 0.04 -1.26 -4.98 135.00 128.79 1j8c s PRO 11 Ca 0.47 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 1j8c s PRO 11 Cb -0.32 -1.81 -0.18 0.00 0.04 0.00 0.00 34.50 32.23 1j8c s PRO 11 CO 0.42 -2.33 1.51 0.00 0.04 0.00 0.00 177.00 176.63 1j8c h ARG 12 N -1.60 -0.73 0.00 4.56 -0.00 -2.07 -3.44 114.38 111.11 1j8c h ARG 12 Ca -0.52 0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.01 1j8c h ARG 12 Cb 1.32 0.16 0.00 0.00 0.00 0.00 0.00 29.97 31.46 1j8c h ARG 12 CO 0.60 -0.45 0.00 -0.35 0.00 0.00 0.00 179.97 179.77 1j8c n PRO 13 N -5.38 -0.55 -3.07 0.04 -0.04 -1.26 -5.08 135.00 119.66 1j8c n PRO 13 Ca -0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1j8c n PRO 13 Cb 0.33 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.78 1j8c n PRO 13 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1j8c s SER 14 N -1.32 -1.05 0.01 3.54 1.04 -1.26 -5.12 113.70 109.54 1j8c s SER 14 Ca 0.00 -0.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 1j8c s SER 14 Cb 0.00 1.46 -0.08 0.00 0.10 0.00 0.00 66.02 67.50 1j8c s SER 14 CO 0.00 -0.15 1.83 -0.60 0.98 0.00 0.00 173.24 175.30 1j8c s ARG 15 N 2.31 4.16 0.00 4.02 6.06 -1.26 -4.96 118.95 129.28 1j8c s ARG 15 Ca 0.16 2.45 0.00 0.00 -2.50 0.00 0.00 55.73 55.84 1j8c s ARG 15 Cb -0.03 -4.04 0.00 0.00 0.06 0.00 0.00 34.95 30.94 1j8c s ARG 15 CO -0.16 -0.90 0.00 0.41 -2.50 0.00 0.00 175.30 172.15 1j8c n GLY 16 N 4.35 5.70 3.74 8.12 0.00 -1.26 -5.09 105.19 120.75 1j8c n GLY 16 Ca 0.19 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 1.76 4.49 0.00 1.61 0.04 -1.26 -5.01 135.00 136.64 1j8c s PRO 17 Ca 0.00 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1j8c s PRO 17 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1j8c s PRO 17 CO 0.00 -0.09 0.00 0.00 0.04 0.00 0.00 177.00 176.95 1j8c n ALA 18 N 2.47 0.00 -2.11 8.56 0.00 -1.26 -5.04 120.51 123.12 1j8c n ALA 18 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 1j8c n ALA 18 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.00 6.54 0.28 0.00 0.00 -1.26 -4.69 120.51 118.37 1j8c n ALA 19 Ca 0.00 -4.18 0.13 0.00 0.00 0.00 0.00 53.44 49.40 1j8c n ALA 19 Cb 0.00 -2.74 0.80 0.00 0.00 0.00 0.00 19.45 17.52 1j8c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c h ALA 20 N 4.72 1.45 -1.60 0.00 0.00 -1.98 -3.48 119.26 118.38 1j8c h ALA 20 Ca 0.64 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.61 1j8c h ALA 20 Cb 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1j8c h ALA 20 CO 1.47 0.08 -0.16 1.04 0.00 0.00 0.00 179.25 181.68 1j8c n GLN 21 N -3.82 -0.87 0.00 0.00 6.02 -1.26 -4.97 117.38 112.48 1j8c n GLN 21 Ca -0.02 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1j8c n GLN 21 Cb 0.16 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.35 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 -1.36 1.60 2.58 1.08 0.00 -1.26 -5.02 105.19 102.82 1j8c n GLY 22 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1j8c n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j8c n SER 23 N 0.00 4.03 -2.79 1.61 7.64 -1.26 -4.86 113.62 117.98 1j8c n SER 23 Ca 0.00 -3.52 -0.02 0.00 1.01 0.00 0.00 58.87 56.33 1j8c n SER 23 Cb 0.00 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 62.57 1j8c n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j8c s ALA 24 N -2.80 -3.24 -0.36 -0.43 0.00 -1.26 -5.04 121.76 108.63 1j8c s ALA 24 Ca 0.43 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 1j8c s ALA 24 Cb 0.19 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1j8c s ALA 24 CO -0.05 -2.37 0.42 0.00 0.00 0.00 0.00 175.76 173.77 1j8c n ALA 25 N 3.11 -2.81 -3.41 0.00 0.00 -1.26 -5.01 120.51 111.14 1j8c n ALA 25 Ca 0.13 0.69 -0.18 0.00 0.00 0.00 0.00 53.44 54.08 1j8c n ALA 25 Cb 0.60 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 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 -1.93 -0.33 1.07 0.00 0.00 -1.26 -5.09 121.76 114.21 1j8c s ALA 26 Ca 0.20 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 1j8c s ALA 26 Cb -0.04 -1.80 0.10 0.00 0.00 0.00 0.00 23.12 21.38 1j8c s ALA 26 CO 0.71 -1.78 0.43 -0.35 0.00 0.00 0.00 175.76 174.76 1j8c n PRO 27 N 5.11 -1.46 -0.92 0.00 -0.04 -1.26 -5.03 135.00 131.40 1j8c n PRO 27 Ca 0.00 -0.68 -0.03 0.00 -0.04 0.00 0.00 63.50 62.75 1j8c n PRO 27 Cb 0.46 -0.58 -0.03 0.00 -0.04 0.00 0.00 33.50 33.30 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 -3.59 3.00 -3.10 0.55 0.00 -1.26 -5.06 120.51 111.05 1j8c n ALA 28 Ca -0.08 -0.79 -0.19 0.00 0.00 0.00 0.00 53.44 52.38 1j8c n ALA 28 Cb 0.22 -0.32 0.02 0.00 0.00 0.00 0.00 19.45 19.36 1j8c n ALA 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j8c n GLU 29 N 0.07 -2.20 -0.52 0.00 1.02 -1.26 -4.79 120.64 112.96 1j8c n GLU 29 Ca -0.14 1.85 -0.03 0.00 -0.02 0.00 0.00 57.16 58.82 1j8c n GLU 29 Cb 0.72 -4.11 0.01 0.00 -0.02 0.00 0.00 31.44 28.04 1j8c n GLU 29 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1j8c n PRO 30 N -0.13 1.16 -1.15 3.49 -0.04 -1.26 -4.30 135.00 132.77 1j8c n PRO 30 Ca 0.03 -0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 62.82 1j8c n PRO 30 Cb 0.52 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.15 2.37 -1.55 0.54 4.76 -1.26 -4.86 118.16 119.30 1j8c n LYS 31 Ca 0.06 -1.93 -0.36 0.00 -2.87 0.00 0.00 58.31 53.21 1j8c n LYS 31 Cb 0.53 -2.81 -0.04 0.00 -1.84 0.00 0.00 35.03 30.86 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1j8c n ILE 32 N 4.78 -0.08 -2.73 -0.18 -0.00 -1.26 -1.59 119.36 118.30 1j8c n ILE 32 Ca 0.54 -0.73 -0.36 0.00 -0.00 0.00 0.00 62.75 62.20 1j8c n ILE 32 Cb 0.28 -2.58 -0.06 0.00 -0.00 0.00 0.00 39.64 37.27 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 12.00 4.13 -0.07 1.39 -4.36 0.17 -4.72 121.20 129.73 1j8c s ILE 33 Ca 1.02 1.60 -0.18 0.00 -0.26 0.00 0.00 60.65 62.83 1j8c s ILE 33 Cb -0.28 -3.82 -0.05 0.00 1.25 0.00 0.00 42.46 39.57 1j8c s ILE 33 CO 0.28 -0.01 0.49 -0.54 0.24 0.00 0.00 174.94 175.40 1j8c s LYS 34 N -2.47 4.27 -0.21 0.37 1.02 -1.26 -2.61 119.74 118.84 1j8c s LYS 34 Ca 0.55 0.50 0.01 0.00 0.02 0.00 0.00 55.97 57.06 1j8c s LYS 34 Cb -0.17 -3.38 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1j8c s LYS 34 CO 0.22 0.29 -0.11 0.54 -0.92 0.00 0.00 175.35 175.37 1j8c s VAL 35 N 0.16 1.78 -0.50 3.17 0.11 -0.43 -1.87 120.40 122.82 1j8c s VAL 35 Ca 0.27 -1.12 -0.24 0.00 -2.93 0.00 0.00 61.98 57.95 1j8c s VAL 35 Cb -0.16 -1.83 0.03 0.00 -1.53 0.00 0.00 36.38 32.89 1j8c s VAL 35 CO 0.12 0.17 0.91 -0.89 -3.33 0.00 0.00 175.10 172.08 1j8c s THR 36 N 1.33 4.47 -0.20 5.04 2.01 -0.80 -0.46 115.64 127.03 1j8c s THR 36 Ca -0.02 0.48 -0.09 0.00 0.31 0.00 0.00 61.69 62.37 1j8c s THR 36 Cb -0.17 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 1j8c s THR 36 CO -0.08 -0.94 0.10 -0.69 -0.69 0.00 0.00 174.62 172.31 1j8c s VAL 37 N 3.76 5.02 -0.25 3.82 1.01 -0.74 -2.59 120.40 130.43 1j8c s VAL 37 Ca 0.33 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1j8c s VAL 37 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1j8c s VAL 37 CO 0.22 0.43 0.29 -0.54 0.00 0.00 0.00 175.10 175.50 1j8c s LYS 38 N 0.58 4.06 0.38 2.72 1.02 -0.98 -2.64 119.74 124.87 1j8c s LYS 38 Ca 0.05 -0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.05 1j8c s LYS 38 Cb -0.12 -3.59 -0.07 0.00 -0.52 0.00 0.00 37.83 33.52 1j8c s LYS 38 CO 0.01 -0.11 -0.03 0.95 -0.92 0.00 0.00 175.35 175.25 1j8c s THR 39 N 1.55 2.03 -0.84 2.17 -4.23 -1.08 -1.62 115.64 113.62 1j8c s THR 39 Ca 0.13 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 1j8c s THR 39 Cb -0.15 -2.84 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 1j8c s THR 39 CO 0.08 -0.08 2.01 -0.81 -0.54 0.00 0.00 174.62 175.28 1j8c n PRO 40 N -0.88 1.84 0.00 3.99 -0.04 -1.26 -2.95 135.00 135.71 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 0.66 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.92 0.00 -3.79 0.54 3.00 -1.26 -5.16 118.16 116.41 1j8c n LYS 41 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 1j8c n LYS 41 Cb 0.19 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.24 1j8c n LYS 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j8c n GLU 42 N -1.66 0.34 -3.69 1.64 1.02 -1.15 -5.13 120.64 112.01 1j8c n GLU 42 Ca 0.00 -0.98 -0.38 0.00 -0.02 0.00 0.00 57.16 55.78 1j8c n GLU 42 Cb 0.00 1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 32.75 1j8c n GLU 42 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1j8c s LYS 43 N -2.03 3.25 -0.06 3.49 2.20 -1.26 -2.63 119.74 122.70 1j8c s LYS 43 Ca 0.25 -0.77 0.05 0.00 -0.36 0.00 0.00 55.97 55.14 1j8c s LYS 43 Cb -0.01 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1j8c s LYS 43 CO 0.02 -0.43 -0.21 -1.21 -0.36 0.00 0.00 175.35 173.16 1j8c s GLU 44 N 1.58 2.24 0.21 4.03 8.01 -1.08 -5.00 118.70 128.68 1j8c s GLU 44 Ca 0.04 -0.74 -0.06 0.00 0.01 0.00 0.00 54.97 54.22 1j8c s GLU 44 Cb -0.17 -1.87 -0.06 0.00 -4.31 0.00 0.00 34.13 27.72 1j8c s GLU 44 CO 0.05 0.26 0.47 -2.00 0.01 0.00 0.00 175.26 174.05 1j8c s GLU 45 N 0.07 3.67 0.10 1.61 2.12 -1.26 -1.80 118.70 123.20 1j8c s GLU 45 Ca -0.07 0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.35 1j8c s GLU 45 Cb -0.14 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 1j8c s GLU 45 CO 0.04 0.36 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.86 1j8c s PHE 46 N -1.83 1.65 -0.16 5.30 0.40 0.40 -4.92 117.98 118.81 1j8c s PHE 46 Ca 0.43 -0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1j8c s PHE 46 Cb -0.11 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1j8c s PHE 46 CO 0.25 0.17 0.09 0.00 0.70 0.00 0.00 175.22 176.44 1j8c s ALA 47 N -1.21 3.58 -0.01 5.36 0.00 -1.26 -1.31 121.76 126.92 1j8c s ALA 47 Ca 0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 1j8c s ALA 47 Cb -0.10 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1j8c s ALA 47 CO 0.04 0.32 0.12 0.14 0.00 0.00 0.00 175.76 176.38 1j8c s VAL 48 N -0.10 0.07 0.06 0.00 -7.23 -1.07 -4.98 120.40 107.14 1j8c s VAL 48 Ca 0.08 -0.56 -0.31 0.00 -1.81 0.00 0.00 61.98 59.39 1j8c s VAL 48 Cb -0.12 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.39 1j8c s VAL 48 CO 0.01 -0.31 1.53 -2.16 -0.31 0.00 0.00 175.10 173.86 1j8c s PRO 49 N -1.05 4.24 0.66 4.82 0.04 -1.26 -0.65 135.00 141.79 1j8c s PRO 49 Ca -0.11 2.18 0.07 0.00 0.04 0.00 0.00 61.00 63.18 1j8c s PRO 49 Cb -0.06 -3.50 0.37 0.00 0.04 0.00 0.00 34.50 31.35 1j8c s PRO 49 CO 0.01 -0.63 1.19 1.49 0.04 0.00 0.00 177.00 179.10 1j8c h GLU 50 N 7.80 0.00 -2.31 4.56 4.81 -1.48 -1.71 114.58 126.25 1j8c h GLU 50 Ca -0.41 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.17 1j8c h GLU 50 Cb 1.20 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.19 1j8c h GLU 50 CO 0.91 0.00 -0.23 0.27 -0.73 0.00 0.00 179.01 179.23 1j8c n ASN 51 N -2.64 4.95 -4.22 1.04 6.94 -1.26 -4.60 115.26 115.47 1j8c n ASN 51 Ca 0.02 -3.61 -0.17 0.00 -0.02 0.00 0.00 54.58 50.80 1j8c n ASN 51 Cb 0.93 -0.75 -0.11 0.00 -2.36 0.00 0.00 39.78 37.49 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1j8c s SER 52 N -2.73 1.82 0.20 0.53 0.15 -0.64 -5.12 113.70 107.90 1j8c s SER 52 Ca 0.44 -0.82 0.02 0.00 0.70 0.00 0.00 55.95 56.29 1j8c s SER 52 Cb 0.21 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1j8c s SER 52 CO -0.08 -0.19 0.35 -0.44 1.20 0.00 0.00 173.24 174.08 1j8c s SER 53 N -2.47 6.34 0.39 5.45 0.01 -1.26 -4.29 113.70 117.87 1j8c s SER 53 Ca 0.08 0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.62 1j8c s SER 53 Cb -0.04 -1.93 0.78 0.00 0.21 0.00 0.00 66.02 65.04 1j8c s SER 53 CO 0.02 -0.03 2.01 0.58 0.41 0.00 0.00 173.24 176.24 1j8c h VAL 54 N 1.43 1.13 -0.83 3.43 2.07 -1.79 -2.72 116.25 118.97 1j8c h VAL 54 Ca -0.49 -0.34 0.19 0.00 0.82 0.00 0.00 66.70 66.88 1j8c h VAL 54 Cb 1.20 0.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.44 1j8c h VAL 54 CO 0.66 0.15 0.29 -0.61 0.02 0.00 0.00 177.57 178.08 1j8c h GLN 55 N 0.57 0.33 0.09 1.57 4.15 -1.90 1.04 115.11 120.96 1j8c h GLN 55 Ca 0.15 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1j8c h GLN 55 Cb 0.03 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1j8c h GLN 55 CO -0.02 0.22 -0.04 0.37 -1.93 0.00 0.00 178.83 177.43 1j8c h GLN 56 N 0.34 -0.11 -0.72 1.69 5.75 -1.90 -2.92 115.11 117.25 1j8c h GLN 56 Ca 0.49 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 59.01 1j8c h GLN 56 Cb 0.89 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 1j8c h GLN 56 CO -0.52 0.33 0.48 0.35 -2.65 0.00 0.00 178.83 176.81 1j8c h PHE 57 N -0.60 0.90 -0.47 3.99 3.57 -1.27 -1.95 116.94 121.11 1j8c h PHE 57 Ca -0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1j8c h PHE 57 Cb 0.49 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1j8c h PHE 57 CO 0.08 0.56 0.24 0.87 -2.23 0.00 0.00 178.31 177.83 1j8c h LYS 58 N 0.96 0.46 0.00 1.11 1.57 0.11 -0.75 116.57 120.04 1j8c h LYS 58 Ca 0.27 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1j8c h LYS 58 Cb -0.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1j8c h LYS 58 CO -0.06 0.31 0.00 1.49 -0.57 0.00 0.00 179.45 180.62 1j8c h GLU 59 N 0.48 0.00 0.17 3.15 4.81 -1.24 -3.12 114.58 118.82 1j8c h GLU 59 Ca 0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1j8c h GLU 59 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1j8c h GLU 59 CO -0.14 0.00 -0.08 0.00 -0.73 0.00 0.00 179.01 178.06 1j8c h ALA 60 N 2.02 -0.22 -0.62 2.92 0.00 -0.39 -2.43 119.26 120.54 1j8c h ALA 60 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1j8c h ALA 60 Cb 0.65 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1j8c h ALA 60 CO 0.00 -0.48 0.22 0.82 0.00 0.00 0.00 179.25 179.80 1j8c h ILE 61 N -0.51 1.24 -0.17 0.00 2.04 -1.52 -0.89 117.51 117.70 1j8c h ILE 61 Ca -0.02 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1j8c h ILE 61 Cb 0.39 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1j8c h ILE 61 CO 0.04 0.31 -0.17 0.77 0.00 0.00 0.00 178.15 179.10 1j8c h SER 62 N 0.89 -0.53 0.23 1.72 4.64 -1.51 1.22 113.55 120.21 1j8c h SER 62 Ca 0.20 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1j8c h SER 62 Cb 0.26 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1j8c h SER 62 CO -0.01 -0.21 -0.11 0.50 -0.87 0.00 0.00 176.83 176.13 1j8c h LYS 63 N -0.19 -0.30 0.17 4.77 1.63 -1.30 0.13 116.57 121.49 1j8c h LYS 63 Ca 0.11 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1j8c h LYS 63 Cb 0.35 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1j8c h LYS 63 CO -0.29 0.06 -0.08 0.00 -3.45 0.00 0.00 179.45 175.70 1j8c h ARG 64 N -0.74 -0.22 -0.32 1.90 2.47 -1.07 -3.30 114.38 113.10 1j8c h ARG 64 Ca -0.03 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.59 1j8c h ARG 64 Cb 0.50 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1j8c h ARG 64 CO 0.05 0.20 -0.27 0.35 0.56 0.00 0.00 179.97 180.87 1j8c h PHE 65 N -0.84 0.75 -4.28 3.04 3.04 0.13 -3.49 116.94 115.30 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 0.52 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1j8c h PHE 65 CO 0.08 0.86 -0.32 1.17 -2.02 0.00 0.00 178.31 178.08 1j8c n LYS 66 N -4.10 -1.43 0.10 1.11 4.81 0.45 -4.99 118.16 114.10 1j8c n LYS 66 Ca -0.00 1.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.91 1j8c n LYS 66 Cb 0.44 -3.82 0.00 0.00 0.02 0.00 0.00 35.03 31.68 1j8c n LYS 66 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1j8c n SER 67 N -0.28 -1.37 -2.59 3.14 2.88 -1.23 -5.05 113.62 109.11 1j8c n SER 67 Ca 0.06 0.37 -0.02 0.00 -1.33 0.00 0.00 58.87 57.94 1j8c n SER 67 Cb 0.23 1.48 0.02 0.00 -0.75 0.00 0.00 64.21 65.18 1j8c n SER 67 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1j8c n GLN 68 N -2.96 0.48 0.11 -1.46 7.27 -1.26 -5.08 117.38 114.48 1j8c n GLN 68 Ca 0.00 -1.08 0.00 0.00 0.07 0.00 0.00 57.00 55.99 1j8c n GLN 68 Cb 0.00 1.45 0.00 0.00 2.41 0.00 0.00 30.24 34.10 1j8c n GLN 68 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1j8c n THR 69 N -0.50 0.00 0.19 1.69 -1.04 -1.26 -4.03 114.28 109.33 1j8c n THR 69 Ca -0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.87 1j8c n THR 69 Cb 0.41 -0.21 -0.06 0.00 -1.82 0.00 0.00 70.33 68.64 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 -0.91 0.57 8.00 1.82 -1.98 -2.41 116.42 121.50 1j8c h ASP 70 Ca 0.00 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1j8c h ASP 70 Cb 0.00 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1j8c h ASP 70 CO 0.00 -0.43 -0.21 1.56 -1.61 0.00 0.00 179.24 178.54 1j8c h GLN 71 N -0.65 0.00 -6.50 0.28 4.20 -1.94 -3.43 115.11 107.07 1j8c h GLN 71 Ca -0.04 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.14 1j8c h GLN 71 Cb 0.57 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.38 1j8c h GLN 71 CO -0.05 0.21 1.09 -1.17 -0.67 0.00 0.00 178.83 178.25 1j8c s LEU 72 N -7.25 4.39 0.21 1.46 0.20 -0.91 -2.14 118.68 114.64 1j8c s LEU 72 Ca -0.02 2.71 -0.11 0.00 0.69 0.00 0.00 54.13 57.40 1j8c s LEU 72 Cb 0.12 -3.57 -0.00 0.00 -0.43 0.00 0.00 46.19 42.31 1j8c s LEU 72 CO 0.63 -0.98 0.40 -0.69 -0.29 0.00 0.00 176.35 175.42 1j8c s VAL 73 N 2.72 0.02 -0.06 1.68 1.01 -0.81 -4.82 120.40 120.14 1j8c s VAL 73 Ca 0.79 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1j8c s VAL 73 Cb -0.45 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1j8c s VAL 73 CO 0.36 -0.11 -0.22 -0.76 0.00 0.00 0.00 175.10 174.37 1j8c s LEU 74 N -2.99 2.25 -0.66 3.92 2.01 -1.10 -1.95 118.68 120.16 1j8c s LEU 74 Ca 0.20 -0.43 -0.17 0.00 0.01 0.00 0.00 54.13 53.74 1j8c s LEU 74 Cb 0.01 -1.43 0.14 0.00 0.01 0.00 0.00 46.19 44.92 1j8c s LEU 74 CO 0.05 0.26 0.69 -0.63 1.01 0.00 0.00 176.35 177.73 1j8c s ILE 75 N -0.24 5.12 -0.52 -0.59 -1.09 0.12 0.14 121.20 124.14 1j8c s ILE 75 Ca -0.01 -1.54 -0.18 0.00 -2.23 0.00 0.00 60.65 56.68 1j8c s ILE 75 Cb -0.13 -4.46 0.07 0.00 -1.58 0.00 0.00 42.46 36.36 1j8c s ILE 75 CO 0.03 -1.05 0.60 0.12 -1.23 0.00 0.00 174.94 173.41 1j8c s PHE 76 N 1.76 3.07 -1.38 3.97 5.36 -1.01 -2.71 117.98 127.05 1j8c s PHE 76 Ca 0.12 -0.70 -0.09 0.00 -0.96 0.00 0.00 56.93 55.30 1j8c s PHE 76 Cb -0.21 -3.59 0.06 0.00 -0.34 0.00 0.00 43.02 38.94 1j8c s PHE 76 CO 0.00 -1.05 0.57 0.00 -1.46 0.00 0.00 175.22 173.28 1j8c n ALA 77 N 6.04 -1.06 0.00 11.12 0.00 -1.26 -0.72 120.51 134.62 1j8c n ALA 77 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1j8c n ALA 77 Cb 0.44 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 -1.31 2.80 2.72 0.00 0.00 -1.26 -5.03 105.19 103.11 1j8c n GLY 78 Ca -0.03 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1j8c n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j8c n LYS 79 N 0.00 -4.46 -3.89 1.61 4.01 0.10 -4.97 118.16 110.56 1j8c n LYS 79 Ca 0.00 -1.24 -0.33 0.00 -0.51 0.00 0.00 58.31 56.23 1j8c n LYS 79 Cb 0.00 -1.62 -0.13 0.00 -0.51 0.00 0.00 35.03 32.77 1j8c n LYS 79 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1j8c s ILE 80 N -1.94 2.88 -1.10 -0.18 -5.25 -1.26 -2.39 121.20 111.96 1j8c s ILE 80 Ca 0.57 -2.77 -0.25 0.00 -0.99 0.00 0.00 60.65 57.22 1j8c s ILE 80 Cb -0.10 -2.99 -0.15 0.00 2.95 0.00 0.00 42.46 42.17 1j8c s ILE 80 CO 0.48 -0.75 2.05 -0.22 -1.79 0.00 0.00 174.94 174.71 1j8c s LEU 81 N 0.32 2.73 0.00 0.37 2.96 0.37 -4.68 118.68 120.76 1j8c s LEU 81 Ca 0.14 -1.20 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 1j8c s LEU 81 Cb -0.22 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1j8c s LEU 81 CO -0.04 -3.88 0.00 1.17 -1.32 0.00 0.00 176.35 172.28 1j8c n LYS 82 N 8.30 0.40 0.25 1.98 4.81 -1.26 -2.70 118.16 129.94 1j8c n LYS 82 Ca 0.43 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 58.03 1j8c n LYS 82 Cb 0.46 0.00 0.54 0.00 0.02 0.00 0.00 35.03 36.06 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 -0.74 3.14 3.04 -1.88 -3.04 116.42 116.94 1j8c h ASP 83 Ca 0.00 0.00 0.17 0.00 -3.24 0.00 0.00 57.03 53.96 1j8c h ASP 83 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 1j8c h ASP 83 CO 0.00 0.00 0.50 1.56 -2.04 0.00 0.00 179.24 179.26 1j8c h GLN 84 N 0.00 0.26 0.00 4.15 4.20 -1.95 -3.44 115.11 118.33 1j8c h GLN 84 Ca 0.00 -0.02 -0.30 0.00 0.06 0.00 0.00 58.65 58.39 1j8c h GLN 84 Cb 0.63 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1j8c h GLN 84 CO 0.00 0.17 -0.27 -0.40 -0.67 0.00 0.00 178.83 177.66 1j8c n ASP 85 N -4.43 0.63 -4.59 1.46 5.75 -1.15 -5.14 116.55 109.07 1j8c n ASP 85 Ca 0.14 -2.24 -0.34 0.00 -0.01 0.00 0.00 54.79 52.34 1j8c n ASP 85 Cb 0.62 0.70 -0.11 0.00 -1.03 0.00 0.00 41.12 41.31 1j8c n ASP 85 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1j8c s THR 86 N -2.53 4.43 0.18 2.12 -4.23 -1.26 -4.25 115.64 110.10 1j8c s THR 86 Ca 0.15 -0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 1j8c s THR 86 Cb 0.01 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.95 1j8c s THR 86 CO 0.11 0.48 1.75 0.25 -0.54 0.00 0.00 174.62 176.66 1j8c h LEU 87 N 6.63 0.15 -0.54 4.79 5.85 -1.85 0.12 115.31 130.45 1j8c h LEU 87 Ca -0.35 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1j8c h LEU 87 Cb 1.18 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1j8c h LEU 87 CO 0.67 0.12 0.00 2.30 -0.34 0.00 0.00 178.44 181.19 1j8c n ILE 88 N -5.02 0.76 0.93 4.05 -6.64 -1.26 0.22 119.36 112.40 1j8c n ILE 88 Ca 0.04 0.08 0.12 0.00 -1.77 0.00 0.00 62.75 61.23 1j8c n ILE 88 Cb 0.19 -1.01 0.29 0.00 -1.44 0.00 0.00 39.64 37.67 1j8c n ILE 88 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 1j8c n GLN 89 N -2.29 0.05 0.00 6.28 -0.06 0.37 -4.79 117.38 116.94 1j8c n GLN 89 Ca 0.03 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1j8c n GLN 89 Cb 0.29 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 1j8c n GLN 89 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1j8c n HIS 90 N -1.60 -0.13 -0.31 3.69 -0.00 -0.89 -4.93 115.22 111.05 1j8c n HIS 90 Ca 0.05 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.21 1j8c n HIS 90 Cb 0.35 0.03 0.10 0.00 -0.12 0.00 0.00 29.99 30.35 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 1.22 -7.16 1.57 0.00 -1.48 -3.40 103.07 93.82 1j8c h GLY 91 Ca 0.00 -0.42 -0.50 0.00 0.00 0.00 0.00 47.33 46.41 1j8c h GLY 91 CO 0.00 0.37 -0.77 -0.42 0.00 0.00 0.00 176.54 175.72 1j8c s ILE 92 N -6.11 0.54 -0.02 2.60 -1.09 0.13 -4.69 121.20 112.56 1j8c s ILE 92 Ca -0.13 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 1j8c s ILE 92 Cb 0.17 -0.90 -0.25 0.00 -1.58 0.00 0.00 42.46 39.89 1j8c s ILE 92 CO 0.79 -0.03 0.75 0.45 -1.23 0.00 0.00 174.94 175.67 1j8c h HIS 93 N 8.26 0.23 0.00 3.97 3.86 -1.83 -3.40 115.15 126.24 1j8c h HIS 93 Ca -0.18 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1j8c h HIS 93 Cb 1.12 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1j8c h HIS 93 CO 0.36 1.26 -0.00 -3.47 0.86 0.00 0.00 177.93 176.94 1j8c n ASP 94 N -3.29 -0.00 0.00 2.45 2.03 -1.26 -4.94 116.55 111.53 1j8c n ASP 94 Ca -0.17 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1j8c n ASP 94 Cb 1.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.44 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 -0.00 0.32 3.77 0.27 0.00 -0.78 -4.48 105.19 104.29 1j8c n GLY 95 Ca -0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 3.49 -0.10 0.99 1.43 -1.23 -4.91 118.68 118.34 1j8c s LEU 96 Ca 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1j8c s LEU 96 Cb 0.00 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1j8c s LEU 96 CO 0.00 -0.18 -0.10 0.42 0.23 0.00 0.00 176.35 176.72 1j8c s THR 97 N -2.29 3.39 0.02 5.49 -4.23 -1.26 -1.91 115.64 114.85 1j8c s THR 97 Ca 0.36 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.29 1j8c s THR 97 Cb -0.06 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1j8c s THR 97 CO 0.24 0.55 -0.01 0.68 -0.54 0.00 0.00 174.62 175.54 1j8c s VAL 98 N -0.16 0.13 0.14 2.29 -7.23 -1.07 -4.77 120.40 109.72 1j8c s VAL 98 Ca 0.01 -1.05 -0.15 0.00 -1.81 0.00 0.00 61.98 58.98 1j8c s VAL 98 Cb -0.13 -0.52 -0.07 0.00 0.56 0.00 0.00 36.38 36.22 1j8c s VAL 98 CO 0.03 -0.58 0.55 -2.28 -0.31 0.00 0.00 175.10 172.51 1j8c s HIS 99 N -1.93 3.63 -0.21 2.82 2.46 -1.10 -2.33 115.29 118.63 1j8c s HIS 99 Ca -0.11 1.09 -0.09 0.00 0.47 0.00 0.00 55.06 56.41 1j8c s HIS 99 Cb -0.06 -2.39 -0.05 0.00 -0.13 0.00 0.00 32.58 29.95 1j8c s HIS 99 CO -0.02 0.45 0.12 -1.17 -2.47 0.00 0.00 174.74 171.65 1j8c s LEU 100 N -1.83 4.05 -0.01 8.88 0.20 -0.64 0.15 118.68 129.48 1j8c s LEU 100 Ca 0.36 0.14 -0.03 0.00 0.69 0.00 0.00 54.13 55.29 1j8c s LEU 100 Cb -0.16 -2.06 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 1j8c s LEU 100 CO 0.19 0.13 0.06 0.68 -0.29 0.00 0.00 176.35 177.12 1j8c s VAL 101 N 0.65 0.03 -0.41 1.68 -7.23 -0.82 -4.84 120.40 109.47 1j8c s VAL 101 Ca 0.07 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.87 1j8c s VAL 101 Cb -0.12 -0.19 0.08 0.00 0.56 0.00 0.00 36.38 36.71 1j8c s VAL 101 CO 0.01 -0.16 0.23 0.27 -0.31 0.00 0.00 175.10 175.15 1j8c s ILE 102 N -0.48 4.07 -1.29 -0.62 -0.00 -1.26 -1.92 121.20 119.70 1j8c s ILE 102 Ca -0.05 -1.44 0.10 0.00 -0.00 0.00 0.00 60.65 59.26 1j8c s ILE 102 Cb -0.03 -3.50 0.08 0.00 -0.00 0.00 0.00 42.46 39.01 1j8c s ILE 102 CO 0.00 -0.48 0.83 0.29 -0.00 0.00 0.00 174.94 175.57