#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8c s ALA 2 N 0.00 3.52 0.01 -5.12 0.00 -1.26 -4.89 121.76 114.02 1j8c s ALA 2 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.08 1j8c s ALA 2 Cb 0.00 -3.66 -0.22 0.00 0.00 0.00 0.00 23.12 19.23 1j8c s ALA 2 CO 0.00 -1.44 0.87 0.93 0.00 0.00 0.00 175.76 176.12 1j8c h GLU 3 N 8.12 0.01 -1.98 0.00 5.08 -2.07 -3.34 114.58 120.40 1j8c h GLU 3 Ca -0.21 -0.01 -0.72 0.00 -1.00 0.00 0.00 59.36 57.42 1j8c h GLU 3 Cb 1.07 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.00 1j8c h GLU 3 CO 1.02 0.67 0.49 0.09 -1.00 0.00 0.00 179.01 180.29 1j8c n ASN 4 N -3.16 6.56 0.00 1.42 3.02 -1.26 -4.77 115.26 117.08 1j8c n ASN 4 Ca -0.11 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.67 1j8c n ASN 4 Cb 1.01 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1j8c n ASN 4 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j8c n GLY 5 N -0.39 0.72 3.68 7.41 0.00 -1.26 -5.14 105.19 110.21 1j8c n GLY 5 Ca 0.47 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1j8c n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j8c s GLU 6 N 0.00 0.74 0.84 1.61 1.03 -1.25 -4.71 118.70 116.95 1j8c s GLU 6 Ca 0.00 0.69 -0.12 0.00 0.03 0.00 0.00 54.97 55.57 1j8c s GLU 6 Cb 0.00 -1.76 0.11 0.00 -0.80 0.00 0.00 34.13 31.68 1j8c s GLU 6 CO 0.00 -2.56 1.20 -1.12 -1.33 0.00 0.00 175.26 171.44 1j8c s SER 7 N -3.37 4.16 -0.22 0.83 0.01 -1.26 -5.06 113.70 108.79 1j8c s SER 7 Ca 0.65 0.58 -0.03 0.00 1.31 0.00 0.00 55.95 58.45 1j8c s SER 7 Cb -0.19 -0.97 0.11 0.00 0.21 0.00 0.00 66.02 65.19 1j8c s SER 7 CO 0.58 -2.09 0.30 -0.55 0.41 0.00 0.00 173.24 171.88 1j8c s SER 8 N -4.66 0.79 0.00 2.44 0.15 -1.26 -5.06 113.70 106.10 1j8c s SER 8 Ca 0.65 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1j8c s SER 8 Cb -0.09 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1j8c s SER 8 CO 0.49 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1j8c n GLY 9 N 5.34 0.14 3.62 9.45 0.00 -1.26 -4.98 105.19 117.50 1j8c n GLY 9 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.09 3.73 0.33 1.61 0.04 -1.26 -4.88 135.00 134.48 1j8c s PRO 10 Ca 0.00 1.29 0.15 0.00 0.04 0.00 0.00 61.00 62.48 1j8c s PRO 10 Cb 0.00 -3.99 0.54 0.00 0.04 0.00 0.00 34.50 31.09 1j8c s PRO 10 CO 0.00 -1.36 1.68 -1.00 0.04 0.00 0.00 177.00 176.36 1j8c h PRO 11 N 10.41 0.00 -5.21 0.56 0.13 -2.04 -3.42 132.00 132.44 1j8c h PRO 11 Ca -0.29 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.21 1j8c h PRO 11 Cb 1.12 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.06 1j8c h PRO 11 CO 1.04 0.48 -0.60 1.03 -0.23 0.00 0.00 178.00 179.72 1j8c s ARG 12 N -3.63 3.83 0.00 0.86 0.52 -1.26 -5.10 118.95 114.16 1j8c s ARG 12 Ca -0.01 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1j8c s ARG 12 Cb 0.12 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1j8c s ARG 12 CO 0.72 0.16 0.00 -0.35 0.02 0.00 0.00 175.30 175.85 1j8c n PRO 13 N 3.86 0.34 -2.17 3.54 -0.04 -1.26 -4.90 135.00 134.38 1j8c n PRO 13 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1j8c n PRO 13 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1j8c n PRO 13 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j8c n SER 14 N -1.15 -8.98 0.00 3.54 2.88 -1.26 -5.04 113.62 103.62 1j8c n SER 14 Ca 0.00 1.59 0.00 0.00 -1.33 0.00 0.00 58.87 59.13 1j8c n SER 14 Cb 0.00 -4.95 0.00 0.00 -0.75 0.00 0.00 64.21 58.51 1j8c n SER 14 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1j8c n ARG 15 N 1.77 0.00 0.02 -1.46 0.63 -1.26 -5.02 116.66 111.33 1j8c n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1j8c n ARG 15 Cb 0.00 -0.13 0.00 0.00 0.45 0.00 0.00 32.46 32.78 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 1.83 -1.90 0.15 5.14 0.00 -1.26 -4.94 105.19 104.22 1j8c n GLY 16 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 -0.50 1.61 0.13 -1.98 -3.21 132.00 128.05 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 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1j8c h PRO 17 CO 0.00 0.53 0.25 0.00 -0.23 0.00 0.00 178.00 178.56 1j8c h ALA 18 N 1.47 0.64 -2.15 -0.56 0.00 -1.96 -3.43 119.26 113.27 1j8c h ALA 18 Ca -0.01 0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.50 1j8c h ALA 18 Cb 1.06 -0.07 0.18 0.00 0.00 0.00 0.00 17.79 18.96 1j8c h ALA 18 CO 0.07 -0.09 0.17 0.00 0.00 0.00 0.00 179.25 179.39 1j8c s ALA 19 N -6.13 0.79 1.00 0.00 0.00 -1.21 -5.01 121.76 111.20 1j8c s ALA 19 Ca -0.13 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1j8c s ALA 19 Cb 0.14 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1j8c s ALA 19 CO 0.73 -3.28 0.00 0.00 0.00 0.00 0.00 175.76 173.22 1j8c n ALA 20 N -4.51 0.00 -2.57 0.00 0.00 -1.26 -4.87 120.51 107.30 1j8c n ALA 20 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1j8c n ALA 20 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 1j8c n ALA 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j8c s GLN 21 N -2.05 3.95 -0.35 0.00 1.11 -1.26 -4.67 119.66 116.39 1j8c s GLN 21 Ca 0.00 -1.95 0.14 0.00 0.01 0.00 0.00 55.36 53.56 1j8c s GLN 21 Cb 0.00 -5.53 0.40 0.00 -1.01 0.00 0.00 33.01 26.87 1j8c s GLN 21 CO 0.00 -2.28 0.84 0.41 0.01 0.00 0.00 175.29 174.27 1j8c n GLY 22 N 5.47 2.61 0.00 3.09 0.00 -1.26 -4.98 105.19 110.12 1j8c n GLY 22 Ca 0.48 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.12 0.00 -2.70 1.61 3.41 -1.26 -4.96 113.62 109.85 1j8c n SER 23 Ca 0.17 0.28 -0.06 0.00 -0.26 0.00 0.00 58.87 59.00 1j8c n SER 23 Cb 0.73 -0.35 0.09 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.67 -2.15 -3.38 7.33 0.00 -1.26 -5.09 120.51 114.29 1j8c n ALA 24 Ca 0.00 -0.89 -0.45 0.00 0.00 0.00 0.00 53.44 52.09 1j8c n ALA 24 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.20 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 0.22 3.88 -0.07 0.00 0.00 -1.26 -4.91 121.76 119.62 1j8c s ALA 25 Ca 0.23 -3.07 -0.18 0.00 0.00 0.00 0.00 51.96 48.94 1j8c s ALA 25 Cb 0.27 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.93 1j8c s ALA 25 CO -0.14 -2.17 0.69 0.00 0.00 0.00 0.00 175.76 174.14 1j8c h ALA 26 N 8.02 -0.17 -2.25 0.00 0.00 -2.05 -3.43 119.26 119.37 1j8c h ALA 26 Ca -0.03 -0.22 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 1j8c h ALA 26 Cb 1.05 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1j8c h ALA 26 CO 0.82 -0.22 0.81 -1.25 0.00 0.00 0.00 179.25 179.42 1j8c s PRO 27 N -2.91 4.29 -0.04 0.00 0.04 -1.26 -5.01 135.00 130.10 1j8c s PRO 27 Ca -0.11 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1j8c s PRO 27 Cb -0.00 -3.66 0.03 0.00 0.04 0.00 0.00 34.50 30.91 1j8c s PRO 27 CO 0.41 -0.58 0.09 0.00 0.04 0.00 0.00 177.00 176.95 1j8c s ALA 28 N 2.82 -0.11 -0.67 8.56 0.00 -1.26 -4.94 121.76 126.15 1j8c s ALA 28 Ca 0.57 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 1j8c s ALA 28 Cb -0.25 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1j8c s ALA 28 CO 0.20 -0.12 0.65 0.39 0.00 0.00 0.00 175.76 176.88 1j8c n GLU 29 N 4.04 -1.66 -0.47 0.00 4.71 -1.26 -4.81 120.64 121.19 1j8c n GLU 29 Ca -0.25 1.39 -0.03 0.00 -0.01 0.00 0.00 57.16 58.26 1j8c n GLU 29 Cb 0.52 -4.29 0.01 0.00 -1.01 0.00 0.00 31.44 26.67 1j8c n GLU 29 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1j8c n PRO 30 N -1.55 1.14 -1.08 3.49 -0.04 -1.26 -4.51 135.00 131.18 1j8c n PRO 30 Ca -0.08 -0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 62.73 1j8c n PRO 30 Cb 0.57 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 1j8c n PRO 30 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j8c n LYS 31 N 1.10 1.78 -1.55 0.54 4.81 -1.26 -4.85 118.16 118.73 1j8c n LYS 31 Ca 0.05 -1.80 -0.35 0.00 -0.87 0.00 0.00 58.31 55.34 1j8c n LYS 31 Cb 0.53 -2.82 -0.04 0.00 0.02 0.00 0.00 35.03 32.72 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1j8c n ILE 32 N 5.43 -0.08 -2.68 3.15 -0.00 -1.26 -1.78 119.36 122.15 1j8c n ILE 32 Ca 0.49 -0.74 -0.33 0.00 -0.00 0.00 0.00 62.75 62.17 1j8c n ILE 32 Cb 0.33 -2.60 -0.06 0.00 -0.00 0.00 0.00 39.64 37.31 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 12.13 4.28 0.07 1.39 -4.36 0.49 -4.65 121.20 130.55 1j8c s ILE 33 Ca 1.01 1.36 -0.10 0.00 -0.26 0.00 0.00 60.65 62.65 1j8c s ILE 33 Cb -0.25 -3.58 -0.06 0.00 1.25 0.00 0.00 42.46 39.82 1j8c s ILE 33 CO 0.27 -0.37 0.39 -0.54 0.24 0.00 0.00 174.94 174.94 1j8c s LYS 34 N -3.35 3.77 -0.13 0.37 1.02 -1.26 -2.66 119.74 117.49 1j8c s LYS 34 Ca 0.63 0.19 -0.03 0.00 0.02 0.00 0.00 55.97 56.77 1j8c s LYS 34 Cb -0.11 -3.02 0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1j8c s LYS 34 CO 0.18 0.58 0.06 0.54 -0.92 0.00 0.00 175.35 175.78 1j8c s VAL 35 N -1.36 0.13 -0.40 3.17 0.11 -1.06 -1.61 120.40 119.37 1j8c s VAL 35 Ca 0.32 -0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.05 1j8c s VAL 35 Cb -0.14 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1j8c s VAL 35 CO 0.17 -0.07 0.86 -0.89 -3.33 0.00 0.00 175.10 171.85 1j8c s THR 36 N 2.05 4.61 -0.21 5.04 2.01 -0.50 -1.40 115.64 127.24 1j8c s THR 36 Ca 0.03 0.89 -0.09 0.00 0.31 0.00 0.00 61.69 62.82 1j8c s THR 36 Cb -0.15 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 1j8c s THR 36 CO -0.07 -0.60 0.12 -0.69 -0.69 0.00 0.00 174.62 172.69 1j8c s VAL 37 N 3.41 5.20 -0.25 3.82 1.01 -0.97 -2.59 120.40 130.02 1j8c s VAL 37 Ca 0.35 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1j8c s VAL 37 Cb -0.12 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1j8c s VAL 37 CO 0.21 0.41 0.15 -0.54 0.00 0.00 0.00 175.10 175.32 1j8c s LYS 38 N 0.64 3.93 0.38 2.72 -0.14 -1.07 -2.59 119.74 123.61 1j8c s LYS 38 Ca 0.07 -0.34 0.05 0.00 -1.36 0.00 0.00 55.97 54.39 1j8c s LYS 38 Cb -0.12 -3.51 -0.07 0.00 -1.68 0.00 0.00 37.83 32.45 1j8c s LYS 38 CO 0.01 -0.06 0.04 0.95 -0.76 0.00 0.00 175.35 175.52 1j8c s THR 39 N 1.38 1.53 -0.29 2.17 -4.23 -1.06 -1.94 115.64 113.20 1j8c s THR 39 Ca 0.07 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.84 1j8c s THR 39 Cb -0.15 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.14 1j8c s THR 39 CO 0.07 0.00 1.79 1.55 -0.54 0.00 0.00 174.62 177.49 1j8c h PRO 40 N 1.91 0.00 0.01 3.99 0.13 -1.98 -3.17 132.00 132.89 1j8c h PRO 40 Ca -0.42 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.47 1j8c h PRO 40 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1j8c h PRO 40 CO 0.74 0.00 -1.28 0.87 -0.23 0.00 0.00 178.00 178.10 1j8c h LYS 41 N 0.00 0.03 -1.95 0.86 1.57 -2.01 -3.50 116.57 111.56 1j8c h LYS 41 Ca 0.00 -0.04 0.29 0.00 -1.87 0.00 0.00 60.65 59.02 1j8c h LYS 41 Cb 0.36 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 1j8c h LYS 41 CO 0.00 1.02 0.77 -1.83 -0.57 0.00 0.00 179.45 178.84 1j8c s GLU 42 N -2.38 0.65 -0.25 3.15 -1.05 -1.20 -5.14 118.70 112.49 1j8c s GLU 42 Ca -0.28 -0.39 -0.09 0.00 -0.15 0.00 0.00 54.97 54.06 1j8c s GLU 42 Cb 0.06 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1j8c s GLU 42 CO 0.61 -0.30 0.12 0.21 0.95 0.00 0.00 175.26 176.85 1j8c s LYS 43 N -2.36 3.85 -0.02 -4.83 2.20 -1.26 -2.58 119.74 114.74 1j8c s LYS 43 Ca 0.20 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 1j8c s LYS 43 Cb 0.01 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1j8c s LYS 43 CO -0.01 -0.09 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.63 1j8c s GLU 44 N 1.42 0.60 0.26 4.03 0.41 -1.07 -5.00 118.70 119.35 1j8c s GLU 44 Ca 0.06 -0.16 -0.09 0.00 -0.41 0.00 0.00 54.97 54.37 1j8c s GLU 44 Cb -0.15 -0.61 -0.07 0.00 -1.78 0.00 0.00 34.13 31.52 1j8c s GLU 44 CO 0.06 0.04 0.58 -2.00 -0.49 0.00 0.00 175.26 173.44 1j8c s GLU 45 N 0.33 3.79 -0.09 1.61 2.12 -1.26 -2.29 118.70 122.91 1j8c s GLU 45 Ca -0.04 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.60 1j8c s GLU 45 Cb -0.08 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.71 1j8c s GLU 45 CO -0.00 0.26 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.77 1j8c s PHE 46 N -1.91 1.88 -0.19 5.30 0.40 -0.49 -4.94 117.98 118.04 1j8c s PHE 46 Ca 0.48 -0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 55.83 1j8c s PHE 46 Cb -0.11 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1j8c s PHE 46 CO 0.23 -0.39 0.51 0.00 0.70 0.00 0.00 175.22 176.27 1j8c s ALA 47 N 0.74 3.54 0.04 5.36 0.00 -1.26 -2.58 121.76 127.59 1j8c s ALA 47 Ca -0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1j8c s ALA 47 Cb -0.16 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 1j8c s ALA 47 CO 0.03 -0.40 0.07 0.14 0.00 0.00 0.00 175.76 175.60 1j8c s VAL 48 N 1.54 0.14 -0.02 0.00 -7.23 -1.09 -4.97 120.40 108.76 1j8c s VAL 48 Ca 0.24 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 1j8c s VAL 48 Cb -0.15 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.85 1j8c s VAL 48 CO 0.10 -0.63 1.64 -2.16 -0.31 0.00 0.00 175.10 173.74 1j8c s PRO 49 N -2.59 4.19 0.32 4.82 0.04 -1.26 -0.38 135.00 140.15 1j8c s PRO 49 Ca -0.05 2.22 0.20 0.00 0.04 0.00 0.00 61.00 63.41 1j8c s PRO 49 Cb -0.01 -3.87 1.14 0.00 0.04 0.00 0.00 34.50 31.80 1j8c s PRO 49 CO -0.05 -0.80 1.29 -0.85 0.04 0.00 0.00 177.00 176.63 1j8c n GLU 50 N 6.63 -0.04 -1.46 4.56 0.28 -0.74 -0.46 120.64 129.41 1j8c n GLU 50 Ca 0.17 1.10 -0.27 0.00 -0.16 0.00 0.00 57.16 57.99 1j8c n GLU 50 Cb 0.42 -2.03 -0.07 0.00 1.43 0.00 0.00 31.44 31.19 1j8c n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j8c n ASN 51 N -4.71 6.73 -4.44 -1.84 3.02 -1.26 -4.34 115.26 108.42 1j8c n ASN 51 Ca 0.32 -2.96 -0.27 0.00 -0.03 0.00 0.00 54.58 51.64 1j8c n ASN 51 Cb 1.12 -1.34 -0.11 0.00 -0.61 0.00 0.00 39.78 38.83 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j8c s SER 52 N 0.93 3.54 0.04 6.41 1.04 0.39 -5.14 113.70 120.92 1j8c s SER 52 Ca 0.61 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1j8c s SER 52 Cb 0.31 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 1j8c s SER 52 CO -0.13 0.12 0.13 -0.55 0.98 0.00 0.00 173.24 173.79 1j8c s SER 53 N -2.66 5.90 0.40 7.02 0.15 -1.26 -4.33 113.70 118.92 1j8c s SER 53 Ca 0.21 0.16 0.07 0.00 0.70 0.00 0.00 55.95 57.09 1j8c s SER 53 Cb -0.08 -1.72 0.85 0.00 -1.71 0.00 0.00 66.02 63.36 1j8c s SER 53 CO 0.10 0.22 2.04 0.58 1.20 0.00 0.00 173.24 177.38 1j8c h VAL 54 N 2.69 1.08 -0.74 4.45 2.07 -1.80 -2.64 116.25 121.36 1j8c h VAL 54 Ca -0.47 -0.20 0.16 0.00 0.82 0.00 0.00 66.70 67.01 1j8c h VAL 54 Cb 1.17 0.45 -0.11 0.00 -1.52 0.00 0.00 31.29 31.27 1j8c h VAL 54 CO 0.68 0.11 0.14 -0.61 0.02 0.00 0.00 177.57 177.91 1j8c h GLN 55 N 0.58 0.22 0.09 1.57 4.15 -1.91 1.15 115.11 120.96 1j8c h GLN 55 Ca 0.18 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1j8c h GLN 55 Cb 0.03 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1j8c h GLN 55 CO -0.04 0.15 -0.04 0.37 -1.93 0.00 0.00 178.83 177.33 1j8c h GLN 56 N 0.23 -0.11 -0.70 1.69 4.15 -1.89 -2.92 115.11 115.55 1j8c h GLN 56 Ca 0.42 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.85 1j8c h GLN 56 Cb 0.73 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 1j8c h GLN 56 CO -0.54 0.26 0.46 0.35 -1.93 0.00 0.00 178.83 177.43 1j8c h PHE 57 N -0.50 0.88 -0.93 3.99 3.57 -1.25 -1.74 116.94 120.95 1j8c h PHE 57 Ca -0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1j8c h PHE 57 Cb 0.42 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 1j8c h PHE 57 CO 0.05 0.55 0.61 0.87 -2.23 0.00 0.00 178.31 178.16 1j8c h LYS 58 N 0.94 1.05 0.00 1.11 1.57 0.14 -0.09 116.57 121.29 1j8c h LYS 58 Ca 0.26 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1j8c h LYS 58 Cb -0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 1j8c h LYS 58 CO -0.06 0.70 -0.20 1.49 -0.57 0.00 0.00 179.45 180.81 1j8c h GLU 59 N 1.08 0.00 -0.14 3.15 4.81 -1.16 -3.29 114.58 119.04 1j8c h GLU 59 Ca 0.40 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1j8c h GLU 59 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1j8c h GLU 59 CO -0.15 0.20 0.05 0.00 -0.73 0.00 0.00 179.01 178.38 1j8c h ALA 60 N 1.80 0.18 -0.84 2.92 0.00 -0.28 -2.78 119.26 120.27 1j8c h ALA 60 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j8c h ALA 60 Cb 1.08 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1j8c h ALA 60 CO 0.03 -0.22 0.51 0.82 0.00 0.00 0.00 179.25 180.38 1j8c h ILE 61 N 0.07 1.23 -0.09 0.00 2.04 -1.57 -1.70 117.51 117.48 1j8c h ILE 61 Ca 0.05 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.44 1j8c h ILE 61 Cb 0.18 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 1j8c h ILE 61 CO -0.00 0.24 -0.22 -1.28 0.00 0.00 0.00 178.15 176.89 1j8c h SER 62 N 1.16 -0.66 0.28 1.72 0.87 -1.56 1.02 113.55 116.37 1j8c h SER 62 Ca 0.30 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1j8c h SER 62 Cb -0.05 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1j8c h SER 62 CO -0.06 -0.27 -0.13 0.50 -0.53 0.00 0.00 176.83 176.34 1j8c h LYS 63 N -0.29 -0.36 0.17 2.24 1.63 -1.31 0.72 116.57 119.37 1j8c h LYS 63 Ca 0.09 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1j8c h LYS 63 Cb 0.42 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1j8c h LYS 63 CO -0.26 -0.02 -0.08 0.00 -3.45 0.00 0.00 179.45 175.64 1j8c h ARG 64 N -0.80 -0.22 -0.31 1.90 2.47 -1.26 -3.31 114.38 112.84 1j8c h ARG 64 Ca -0.04 0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.58 1j8c h ARG 64 Cb 0.51 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1j8c h ARG 64 CO 0.06 0.19 -0.29 0.35 0.56 0.00 0.00 179.97 180.84 1j8c h PHE 65 N -0.86 0.75 -3.96 3.04 3.04 0.86 -3.48 116.94 116.33 1j8c h PHE 65 Ca -0.02 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1j8c h PHE 65 Cb 0.52 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1j8c h PHE 65 CO 0.08 0.87 -0.08 1.17 -2.02 0.00 0.00 178.31 178.34 1j8c n LYS 66 N -4.09 -0.70 0.00 1.11 4.81 0.24 -4.99 118.16 114.55 1j8c n LYS 66 Ca -0.01 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1j8c n LYS 66 Cb 0.46 -3.24 0.00 0.00 0.02 0.00 0.00 35.03 32.27 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 -0.98 0.00 -2.90 3.14 7.64 -1.23 -5.04 113.62 114.26 1j8c n SER 67 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 1j8c n SER 67 Cb 0.38 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.68 1j8c n SER 67 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1j8c n GLN 68 N 0.00 -1.66 0.15 1.43 7.27 -1.26 -4.76 117.38 118.56 1j8c n GLN 68 Ca 0.00 -0.71 0.00 0.00 0.07 0.00 0.00 57.00 56.36 1j8c n GLN 68 Cb 0.00 -0.63 0.00 0.00 2.41 0.00 0.00 30.24 32.02 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 -3.33 0.00 0.33 1.69 -1.04 -1.26 -4.46 114.28 106.21 1j8c n THR 69 Ca 0.06 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.94 1j8c n THR 69 Cb 0.23 -0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.44 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 -0.71 -0.05 8.00 3.58 -1.96 -2.75 116.42 122.53 1j8c h ASP 70 Ca 0.00 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1j8c h ASP 70 Cb 0.00 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1j8c h ASP 70 CO 0.00 -0.49 0.04 1.56 -2.88 0.00 0.00 179.24 177.47 1j8c h GLN 71 N -0.86 0.00 -5.93 0.28 7.50 -1.93 -3.40 115.11 110.76 1j8c h GLN 71 Ca -0.09 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.53 1j8c h GLN 71 Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.16 1j8c h GLN 71 CO 0.14 0.00 1.48 -1.17 -1.50 0.00 0.00 178.83 177.78 1j8c s LEU 72 N -8.18 3.42 0.20 1.46 2.96 -1.04 -3.55 118.68 113.96 1j8c s LEU 72 Ca -0.05 1.36 0.06 0.00 -0.22 0.00 0.00 54.13 55.28 1j8c s LEU 72 Cb 0.16 -3.11 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 1j8c s LEU 72 CO 0.60 -2.24 -0.10 -0.69 -1.32 0.00 0.00 176.35 172.60 1j8c s VAL 73 N 9.31 1.43 -0.05 1.68 1.01 -1.08 -4.87 120.40 127.83 1j8c s VAL 73 Ca 0.92 -2.12 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1j8c s VAL 73 Cb -0.24 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1j8c s VAL 73 CO 0.30 -0.56 -0.13 -0.76 0.00 0.00 0.00 175.10 173.95 1j8c s LEU 74 N -3.28 2.79 -0.72 3.92 1.43 -1.10 -1.04 118.68 120.66 1j8c s LEU 74 Ca 0.22 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1j8c s LEU 74 Cb 0.02 -1.57 0.19 0.00 0.03 0.00 0.00 46.19 44.85 1j8c s LEU 74 CO 0.06 0.34 0.66 -0.63 0.23 0.00 0.00 176.35 177.01 1j8c s ILE 75 N -0.71 5.41 -0.34 -0.59 -1.09 0.12 0.10 121.20 124.11 1j8c s ILE 75 Ca 0.11 -2.15 -0.15 0.00 -2.23 0.00 0.00 60.65 56.22 1j8c s ILE 75 Cb -0.11 -4.39 -0.01 0.00 -1.58 0.00 0.00 42.46 36.37 1j8c s ILE 75 CO 0.01 -0.97 0.37 0.12 -1.23 0.00 0.00 174.94 173.24 1j8c s PHE 76 N 0.65 3.21 -1.31 3.97 5.36 -0.93 -2.64 117.98 126.29 1j8c s PHE 76 Ca 0.13 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 1j8c s PHE 76 Cb -0.17 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1j8c s PHE 76 CO -0.05 -0.44 0.00 0.00 -1.46 0.00 0.00 175.22 173.27 1j8c n ALA 77 N 5.40 -0.61 0.00 11.12 0.00 -1.26 -0.72 120.51 134.44 1j8c n ALA 77 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1j8c n ALA 77 Cb 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.72 2.99 1.98 0.00 0.00 -1.26 -5.03 105.19 103.15 1j8c n GLY 78 Ca -0.17 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.49 -3.82 1.61 5.02 0.10 -4.94 118.16 112.65 1j8c n LYS 79 Ca 0.00 -0.93 -0.34 0.00 -2.02 0.00 0.00 58.31 55.03 1j8c n LYS 79 Cb 0.00 -1.13 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 1j8c n LYS 79 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1j8c s ILE 80 N -1.78 3.24 -0.75 -0.18 -5.25 -1.26 -2.18 121.20 113.04 1j8c s ILE 80 Ca 0.41 -3.05 -0.26 0.00 -0.99 0.00 0.00 60.65 56.77 1j8c s ILE 80 Cb -0.07 -3.16 -0.11 0.00 2.95 0.00 0.00 42.46 42.07 1j8c s ILE 80 CO 0.34 -0.83 2.33 -0.22 -1.79 0.00 0.00 174.94 174.76 1j8c s LEU 81 N -0.08 3.01 0.00 0.37 0.20 0.29 -4.65 118.68 117.82 1j8c s LEU 81 Ca 0.16 0.14 0.00 0.00 0.69 0.00 0.00 54.13 55.13 1j8c s LEU 81 Cb -0.22 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.99 1j8c s LEU 81 CO -0.02 -3.51 0.00 1.17 -0.29 0.00 0.00 176.35 173.70 1j8c n LYS 82 N 8.87 0.00 0.14 1.98 4.81 -1.26 -2.72 118.16 129.98 1j8c n LYS 82 Ca 0.43 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.00 1j8c n LYS 82 Cb 0.46 0.00 0.48 0.00 0.02 0.00 0.00 35.03 35.99 1j8c n LYS 82 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1j8c h ASP 83 N 0.00 0.00 -0.76 3.14 3.58 -1.88 -2.99 116.42 117.50 1j8c h ASP 83 Ca 0.00 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.64 1j8c h ASP 83 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1j8c h ASP 83 CO 0.00 0.00 0.52 -0.61 -2.88 0.00 0.00 179.24 176.27 1j8c h GLN 84 N 0.00 0.22 -3.21 0.28 5.75 -1.95 -3.43 115.11 112.77 1j8c h GLN 84 Ca 0.00 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1j8c h GLN 84 Cb 0.46 -0.05 -0.12 0.00 1.07 0.00 0.00 27.48 28.84 1j8c h GLN 84 CO 0.00 0.15 0.07 0.34 -2.65 0.00 0.00 178.83 176.73 1j8c s ASP 85 N -5.88 -0.37 0.73 -0.69 -1.08 -1.13 -5.16 116.67 103.09 1j8c s ASP 85 Ca -0.07 -0.25 -0.11 0.00 -0.52 0.00 0.00 52.55 51.60 1j8c s ASP 85 Cb 0.21 0.55 0.03 0.00 -1.46 0.00 0.00 42.92 42.25 1j8c s ASP 85 CO 0.76 -0.96 1.10 0.42 0.52 0.00 0.00 175.17 177.02 1j8c s THR 86 N -3.80 3.30 0.08 1.71 -4.23 -1.26 -4.42 115.64 107.01 1j8c s THR 86 Ca 0.04 0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 60.78 1j8c s THR 86 Cb -0.00 -3.38 -0.09 0.00 1.34 0.00 0.00 72.50 70.37 1j8c s THR 86 CO -0.10 -0.55 1.51 -0.07 -0.54 0.00 0.00 174.62 174.87 1j8c h LEU 87 N -0.76 0.39 -2.06 4.79 4.07 -1.88 -2.05 115.31 117.81 1j8c h LEU 87 Ca -0.45 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.20 1j8c h LEU 87 Cb 1.26 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1j8c h LEU 87 CO 0.63 0.60 0.00 0.16 -1.08 0.00 0.00 178.44 178.76 1j8c h ILE 88 N 0.16 0.00 0.00 1.22 3.07 -1.76 0.32 117.51 120.53 1j8c h ILE 88 Ca 0.06 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.27 1j8c h ILE 88 Cb 0.41 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1j8c h ILE 88 CO 0.01 0.00 -0.96 0.00 -1.05 0.00 0.00 178.15 176.16 1j8c n GLN 89 N -2.92 0.36 0.00 0.16 1.13 -0.98 -4.86 117.38 110.27 1j8c n GLN 89 Ca -0.01 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1j8c n GLN 89 Cb 0.17 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1j8c n GLN 89 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1j8c n HIS 90 N -2.13 0.00 0.01 1.08 8.25 -0.74 -4.92 115.22 116.77 1j8c n HIS 90 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1j8c n HIS 90 Cb 0.46 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 1j8c n HIS 90 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1j8c h GLY 91 N 0.00 0.04 -2.20 -1.41 0.00 -0.63 -3.46 103.07 95.42 1j8c h GLY 91 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 1j8c h GLY 91 CO 0.00 -0.05 -0.23 -0.26 0.00 0.00 0.00 176.54 176.01 1j8c s ILE 92 N -6.19 0.00 -0.01 2.60 -5.25 0.10 -4.95 121.20 107.49 1j8c s ILE 92 Ca -0.13 -1.56 0.01 0.00 -0.99 0.00 0.00 60.65 57.98 1j8c s ILE 92 Cb 0.08 -2.35 -0.02 0.00 2.95 0.00 0.00 42.46 43.12 1j8c s ILE 92 CO 0.67 0.00 -0.00 1.41 -1.79 0.00 0.00 174.94 175.23 1j8c n HIS 93 N -0.39 0.00 0.00 1.37 8.25 -1.26 -3.96 115.22 119.22 1j8c n HIS 93 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1j8c n HIS 93 Cb 0.63 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -2.21 0.00 0.00 0.41 2.03 -1.26 -4.98 116.55 110.53 1j8c n ASP 94 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1j8c n ASP 94 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.63 0.82 0.27 0.00 -0.64 -4.49 105.19 101.79 1j8c n GLY 95 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.12 0.99 4.77 -1.24 -4.91 117.00 112.49 1j8c n LEU 96 Ca 0.00 -0.66 -0.19 0.00 -0.03 0.00 0.00 56.01 55.13 1j8c n LEU 96 Cb 0.00 0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1j8c n LEU 96 CO 0.00 -0.23 -0.45 -0.89 -1.33 0.00 0.00 177.39 174.49 1j8c s THR 97 N -0.93 0.98 0.00 -5.08 2.01 -1.26 -1.41 115.64 109.95 1j8c s THR 97 Ca 0.04 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 61.00 1j8c s THR 97 Cb -0.00 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1j8c s THR 97 CO 0.03 -0.07 0.10 0.68 -0.69 0.00 0.00 174.62 174.67 1j8c s VAL 98 N -0.91 0.09 -0.28 3.82 -7.23 -1.07 -4.77 120.40 110.05 1j8c s VAL 98 Ca -0.00 -0.71 -0.20 0.00 -1.81 0.00 0.00 61.98 59.26 1j8c s VAL 98 Cb -0.08 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 1j8c s VAL 98 CO 0.01 -0.39 0.60 -1.00 -0.31 0.00 0.00 175.10 174.02 1j8c s HIS 99 N -1.34 3.25 0.45 2.82 3.76 -1.08 -2.59 115.29 120.56 1j8c s HIS 99 Ca -0.14 0.66 -0.21 0.00 -0.15 0.00 0.00 55.06 55.22 1j8c s HIS 99 Cb -0.08 -2.89 -0.10 0.00 1.11 0.00 0.00 32.58 30.63 1j8c s HIS 99 CO 0.01 -0.39 1.00 -1.17 -0.85 0.00 0.00 174.74 173.34 1j8c s LEU 100 N 2.51 3.93 -0.29 0.89 0.20 -0.82 0.12 118.68 125.22 1j8c s LEU 100 Ca 0.25 1.83 -0.24 0.00 0.69 0.00 0.00 54.13 56.65 1j8c s LEU 100 Cb -0.15 -4.51 0.15 0.00 -0.43 0.00 0.00 46.19 41.25 1j8c s LEU 100 CO 0.10 -0.55 1.15 0.54 -0.29 0.00 0.00 176.35 177.30 1j8c s VAL 101 N -2.03 0.00 -0.22 1.68 0.11 -0.21 -4.89 120.40 114.84 1j8c s VAL 101 Ca 0.64 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 1j8c s VAL 101 Cb -0.14 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1j8c s VAL 101 CO 0.17 0.00 0.18 0.27 -3.33 0.00 0.00 175.10 172.40 1j8c s ILE 102 N 0.28 5.35 -2.39 7.04 -5.25 -1.26 -2.62 121.20 122.36 1j8c s ILE 102 Ca 0.03 0.25 0.19 0.00 -0.99 0.00 0.00 60.65 60.13 1j8c s ILE 102 Cb -0.05 -3.52 0.15 0.00 2.95 0.00 0.00 42.46 41.99 1j8c s ILE 102 CO -0.10 0.36 1.10 0.29 -1.79 0.00 0.00 174.94 174.81