#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 1.92 -0.68 3.17 0.00 -1.26 -5.05 121.76 119.87 1j8c s ALA 2 Ca 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.09 1j8c s ALA 2 Cb 0.00 0.99 0.32 0.00 0.00 0.00 0.00 23.12 24.43 1j8c s ALA 2 CO 0.00 -0.44 2.16 0.39 0.00 0.00 0.00 175.76 177.87 1j8c n GLU 3 N -0.54 2.58 -1.87 0.00 4.71 -1.26 -4.35 120.64 119.90 1j8c n GLU 3 Ca -0.00 -3.06 0.02 0.00 -0.01 0.00 0.00 57.16 54.11 1j8c n GLU 3 Cb 0.66 -2.19 0.04 0.00 -1.01 0.00 0.00 31.44 28.94 1j8c n GLU 3 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1j8c n ASN 4 N -0.32 1.38 0.00 1.62 2.85 -1.26 -4.93 115.26 114.60 1j8c n ASN 4 Ca 0.53 -2.21 0.00 0.00 -0.11 0.00 0.00 54.58 52.80 1j8c n ASN 4 Cb 0.45 -0.37 0.00 0.00 1.24 0.00 0.00 39.78 41.09 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 -0.00 -0.49 0.32 8.20 0.00 -1.26 -5.04 105.19 106.91 1j8c n GLY 5 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1j8c n GLY 5 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j8c h GLU 6 N 0.00 0.95 0.00 1.61 3.07 -1.92 -3.44 114.58 114.85 1j8c h GLU 6 Ca 0.00 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1j8c h GLU 6 Cb 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 1j8c h GLU 6 CO 0.00 0.82 0.00 -1.13 -1.40 0.00 0.00 179.01 177.30 1j8c n SER 7 N -4.27 0.00 -4.90 1.42 3.41 -1.26 -5.05 113.62 102.96 1j8c n SER 7 Ca 0.05 -0.50 -0.31 0.00 -0.26 0.00 0.00 58.87 57.84 1j8c n SER 7 Cb 0.22 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1j8c n SER 7 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j8c s SER 8 N -1.00 6.47 0.00 4.04 0.15 -1.26 -5.09 113.70 117.00 1j8c s SER 8 Ca 0.00 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1j8c s SER 8 Cb 0.00 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1j8c s SER 8 CO 0.00 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1j8c n GLY 9 N 0.04 -1.70 3.79 9.45 0.00 -1.26 -4.93 105.19 110.58 1j8c n GLY 9 Ca -0.03 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 2.85 1.05 1.61 0.04 -1.26 -5.03 135.00 134.25 1j8c s PRO 10 Ca 0.00 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 1j8c s PRO 10 Cb 0.00 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 32.78 1j8c s PRO 10 CO 0.00 -1.18 1.14 -1.25 0.04 0.00 0.00 177.00 175.74 1j8c s PRO 11 N -4.45 0.04 -0.33 0.56 0.04 -1.26 -5.04 135.00 124.56 1j8c s PRO 11 Ca 0.63 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.81 1j8c s PRO 11 Cb -0.17 -1.73 0.10 0.00 0.04 0.00 0.00 34.50 32.75 1j8c s PRO 11 CO 0.46 -2.91 0.10 1.03 0.04 0.00 0.00 177.00 175.72 1j8c s ARG 12 N -5.31 0.95 -0.32 4.56 0.52 -1.26 -5.08 118.95 113.01 1j8c s ARG 12 Ca 0.68 -1.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 1j8c s ARG 12 Cb -0.13 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.02 1j8c s ARG 12 CO 0.55 -1.00 1.53 -1.25 0.02 0.00 0.00 175.30 175.16 1j8c s PRO 13 N 1.31 3.65 0.00 3.54 0.04 -1.26 -4.86 135.00 137.42 1j8c s PRO 13 Ca 0.11 1.30 0.29 0.00 0.04 0.00 0.00 61.00 62.74 1j8c s PRO 13 Cb -0.18 -4.04 1.25 0.00 0.04 0.00 0.00 34.50 31.57 1j8c s PRO 13 CO -0.19 -1.46 1.86 0.43 0.04 0.00 0.00 177.00 177.68 1j8c n SER 14 N 8.79 0.70 -0.29 6.66 7.64 -1.26 -4.01 113.62 131.84 1j8c n SER 14 Ca 0.18 -0.91 -0.02 0.00 1.01 0.00 0.00 58.87 59.14 1j8c n SER 14 Cb 0.47 -0.02 0.10 0.00 -1.01 0.00 0.00 64.21 63.75 1j8c n SER 14 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1j8c h ARG 15 N 0.97 0.96 -1.17 1.43 2.43 -2.04 -3.45 114.38 113.53 1j8c h ARG 15 Ca 0.00 -0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.29 1j8c h ARG 15 Cb 0.35 -0.22 -0.32 0.00 -0.42 0.00 0.00 29.97 29.36 1j8c h ARG 15 CO 0.00 0.64 0.72 0.20 -1.51 0.00 0.00 179.97 180.02 1j8c s GLY 16 N -3.03 0.41 -1.03 2.80 0.00 -1.26 -5.08 107.32 100.14 1j8c s GLY 16 Ca -0.13 3.57 -0.23 0.00 0.00 0.00 0.00 44.72 47.93 1j8c s GLY 16 CO 0.78 2.41 1.78 2.56 0.00 0.00 0.00 173.10 180.63 1j8c s PRO 17 N 0.69 3.00 1.61 2.90 0.04 -1.26 -4.87 135.00 137.10 1j8c s PRO 17 Ca -0.02 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1j8c s PRO 17 Cb -0.03 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1j8c s PRO 17 CO -0.12 -3.02 0.00 0.00 0.04 0.00 0.00 177.00 173.90 1j8c n ALA 18 N 11.97 0.00 -0.96 8.56 0.00 -1.26 -4.72 120.51 134.10 1j8c n ALA 18 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 1j8c n ALA 18 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 0.89 -0.35 -2.31 0.00 0.00 -1.26 -5.07 120.51 112.42 1j8c n ALA 19 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 1j8c n ALA 19 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.28 1.69 -0.18 0.00 0.00 -1.26 -5.14 121.76 114.59 1j8c s ALA 20 Ca 0.05 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.18 1j8c s ALA 20 Cb -0.01 1.10 0.03 0.00 0.00 0.00 0.00 23.12 24.24 1j8c s ALA 20 CO 0.04 -0.48 -0.13 -1.14 0.00 0.00 0.00 175.76 174.05 1j8c s GLN 21 N -4.02 2.28 0.00 0.00 0.74 -1.26 -5.05 119.66 112.35 1j8c s GLN 21 Ca 0.38 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 55.06 1j8c s GLN 21 Cb 0.07 -2.31 0.00 0.00 1.10 0.00 0.00 33.01 31.87 1j8c s GLN 21 CO 0.14 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 1j8c n GLY 22 N 4.71 1.73 2.10 2.59 0.00 -1.26 -4.71 105.19 110.34 1j8c n GLY 22 Ca -0.16 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.14 3.82 -4.53 1.61 7.64 -1.26 -4.90 113.62 115.86 1j8c n SER 23 Ca 0.00 -3.43 -0.43 0.00 1.01 0.00 0.00 58.87 56.02 1j8c n SER 23 Cb 0.00 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 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 -2.99 3.13 -0.67 -0.43 0.00 -1.26 -4.90 121.76 114.64 1j8c s ALA 24 Ca 0.52 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1j8c s ALA 24 Cb 0.44 -3.79 0.42 0.00 0.00 0.00 0.00 23.12 20.19 1j8c s ALA 24 CO 0.10 -2.43 1.93 0.00 0.00 0.00 0.00 175.76 175.36 1j8c n ALA 25 N 7.62 6.23 -3.34 0.00 0.00 -1.26 -4.94 120.51 124.82 1j8c n ALA 25 Ca 0.03 -3.70 -0.15 0.00 0.00 0.00 0.00 53.44 49.62 1j8c n ALA 25 Cb 0.48 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 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 -3.86 -1.22 0.39 0.00 0.00 -1.26 -5.15 121.76 110.65 1j8c s ALA 26 Ca 0.60 0.72 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 1j8c s ALA 26 Cb 0.48 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.62 1j8c s ALA 26 CO -0.11 -0.34 1.10 -1.25 0.00 0.00 0.00 175.76 175.15 1j8c s PRO 27 N -1.51 4.17 -0.29 0.00 0.04 -1.26 -5.03 135.00 131.12 1j8c s PRO 27 Ca -0.11 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1j8c s PRO 27 Cb -0.02 -2.66 0.19 0.00 0.04 0.00 0.00 34.50 32.05 1j8c s PRO 27 CO 0.05 -0.17 0.56 0.00 0.04 0.00 0.00 177.00 177.49 1j8c s ALA 28 N -1.52 -2.21 0.05 8.56 0.00 -1.26 -5.01 121.76 120.38 1j8c s ALA 28 Ca 0.56 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1j8c s ALA 28 Cb -0.26 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1j8c s ALA 28 CO 0.33 -1.76 0.00 -1.91 0.00 0.00 0.00 175.76 172.42 1j8c n GLU 29 N 5.41 0.00 0.00 0.00 4.07 -1.26 -5.07 120.64 123.79 1j8c n GLU 29 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 1j8c n GLU 29 Cb 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 1j8c n GLU 29 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1j8c n PRO 30 N -2.88 0.00 -4.20 5.31 -0.04 -1.26 -4.52 135.00 127.42 1j8c n PRO 30 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1j8c n PRO 30 Cb 0.00 -0.21 -0.04 0.00 -0.04 0.00 0.00 33.50 33.21 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 -2.61 -1.57 0.54 4.01 -1.26 -2.68 118.16 114.58 1j8c n LYS 31 Ca 0.00 0.32 -0.45 0.00 -0.51 0.00 0.00 58.31 57.67 1j8c n LYS 31 Cb 0.00 -4.67 -0.04 0.00 -0.51 0.00 0.00 35.03 29.81 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1j8c n ILE 32 N -4.38 0.34 -2.86 -0.18 -0.00 -1.26 -2.32 119.36 108.70 1j8c n ILE 32 Ca -0.09 -0.40 -0.32 0.00 -0.00 0.00 0.00 62.75 61.94 1j8c n ILE 32 Cb 0.57 -2.36 -0.05 0.00 -0.00 0.00 0.00 39.64 37.80 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 7.85 4.62 0.11 1.39 -4.36 0.10 -4.72 121.20 126.19 1j8c s ILE 33 Ca 1.02 1.03 -0.13 0.00 -0.26 0.00 0.00 60.65 62.31 1j8c s ILE 33 Cb -0.45 -3.66 -0.06 0.00 1.25 0.00 0.00 42.46 39.53 1j8c s ILE 33 CO 0.39 -0.40 0.48 -0.54 0.24 0.00 0.00 174.94 175.11 1j8c s LYS 34 N -3.45 3.90 -0.12 0.37 1.02 -1.26 -2.70 119.74 117.50 1j8c s LYS 34 Ca 0.56 0.37 -0.04 0.00 0.02 0.00 0.00 55.97 56.89 1j8c s LYS 34 Cb -0.10 -2.99 0.05 0.00 -0.52 0.00 0.00 37.83 34.27 1j8c s LYS 34 CO 0.23 0.53 0.07 0.54 -0.92 0.00 0.00 175.35 175.80 1j8c s VAL 35 N -1.39 -0.06 -0.49 3.17 0.11 -0.91 -1.71 120.40 119.11 1j8c s VAL 35 Ca 0.34 0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 59.17 1j8c s VAL 35 Cb -0.15 -0.43 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1j8c s VAL 35 CO 0.18 -0.09 1.06 -0.89 -3.33 0.00 0.00 175.10 172.03 1j8c s THR 36 N 2.14 4.28 -0.17 5.04 2.01 0.23 -0.86 115.64 128.31 1j8c s THR 36 Ca 0.03 0.93 -0.16 0.00 0.31 0.00 0.00 61.69 62.80 1j8c s THR 36 Cb -0.14 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.76 1j8c s THR 36 CO -0.07 -1.01 0.38 -0.69 -0.69 0.00 0.00 174.62 172.54 1j8c s VAL 37 N 4.25 5.23 -0.23 3.82 1.01 -1.06 -2.32 120.40 131.10 1j8c s VAL 37 Ca 0.42 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 1j8c s VAL 37 Cb -0.09 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1j8c s VAL 37 CO 0.28 0.31 0.05 -0.54 0.00 0.00 0.00 175.10 175.20 1j8c s LYS 38 N 0.93 3.69 0.34 2.72 -0.14 -1.00 -2.46 119.74 123.82 1j8c s LYS 38 Ca 0.19 -0.47 0.08 0.00 -1.36 0.00 0.00 55.97 54.42 1j8c s LYS 38 Cb -0.14 -3.25 -0.07 0.00 -1.68 0.00 0.00 37.83 32.70 1j8c s LYS 38 CO 0.07 -0.07 -0.06 0.95 -0.76 0.00 0.00 175.35 175.48 1j8c s THR 39 N 1.28 2.03 -0.97 2.17 -4.23 -0.01 -0.22 115.64 115.68 1j8c s THR 39 Ca 0.05 -2.15 0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1j8c s THR 39 Cb -0.15 -2.67 0.12 0.00 1.34 0.00 0.00 72.50 71.15 1j8c s THR 39 CO 0.03 -0.18 1.47 -0.81 -0.54 0.00 0.00 174.62 174.58 1j8c n PRO 40 N -0.77 0.01 -0.11 3.99 -0.04 -1.26 -2.94 135.00 133.88 1j8c n PRO 40 Ca -0.05 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1j8c n PRO 40 Cb 0.64 -1.52 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.54 0.69 -0.99 0.54 0.00 -1.26 -5.09 118.16 110.51 1j8c n LYS 41 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1j8c n LYS 41 Cb 0.17 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.69 1j8c n LYS 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1j8c n GLU 42 N -3.03 0.00 -3.61 1.64 0.28 -1.15 -5.15 120.64 109.61 1j8c n GLU 42 Ca -0.40 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.40 1j8c n GLU 42 Cb 1.04 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.76 1j8c n GLU 42 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1j8c s LYS 43 N -0.96 0.05 -0.02 3.44 3.01 -1.26 -0.83 119.74 123.17 1j8c s LYS 43 Ca 0.00 0.26 0.01 0.00 -1.01 0.00 0.00 55.97 55.24 1j8c s LYS 43 Cb 0.00 -0.98 0.01 0.00 -1.01 0.00 0.00 37.83 35.85 1j8c s LYS 43 CO 0.00 -0.49 -0.05 -1.21 0.51 0.00 0.00 175.35 174.11 1j8c s GLU 44 N 2.23 0.61 0.35 1.68 2.02 -1.03 -4.98 118.70 119.58 1j8c s GLU 44 Ca 0.04 -0.15 -0.18 0.00 0.02 0.00 0.00 54.97 54.70 1j8c s GLU 44 Cb -0.14 -0.62 -0.10 0.00 0.10 0.00 0.00 34.13 33.37 1j8c s GLU 44 CO -0.08 0.02 0.83 -1.83 0.02 0.00 0.00 175.26 174.23 1j8c s GLU 45 N 0.38 4.14 0.09 1.61 -1.05 -1.26 -2.57 118.70 120.04 1j8c s GLU 45 Ca -0.05 0.89 0.10 0.00 -0.15 0.00 0.00 54.97 55.76 1j8c s GLU 45 Cb -0.08 -2.40 -0.03 0.00 -0.44 0.00 0.00 34.13 31.18 1j8c s GLU 45 CO -0.00 0.11 -0.25 -0.06 0.95 0.00 0.00 175.26 176.01 1j8c s PHE 46 N -2.00 2.17 -0.22 4.83 0.40 -0.04 -4.92 117.98 118.20 1j8c s PHE 46 Ca 0.56 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.41 1j8c s PHE 46 Cb -0.11 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 1j8c s PHE 46 CO 0.16 0.22 0.11 0.00 0.70 0.00 0.00 175.22 176.42 1j8c s ALA 47 N -0.97 3.46 0.01 5.36 0.00 -1.26 -2.14 121.76 126.23 1j8c s ALA 47 Ca 0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1j8c s ALA 47 Cb -0.10 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1j8c s ALA 47 CO 0.04 -0.12 0.06 0.14 0.00 0.00 0.00 175.76 175.88 1j8c s VAL 48 N 0.92 0.10 -0.02 0.00 -7.23 -1.10 -4.99 120.40 108.08 1j8c s VAL 48 Ca 0.06 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 1j8c s VAL 48 Cb -0.13 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.34 1j8c s VAL 48 CO 0.03 -0.46 1.54 -2.16 -0.31 0.00 0.00 175.10 173.74 1j8c s PRO 49 N -1.55 4.22 0.21 4.82 0.04 -1.26 0.03 135.00 141.51 1j8c s PRO 49 Ca -0.14 2.10 0.11 0.00 0.04 0.00 0.00 61.00 63.11 1j8c s PRO 49 Cb -0.08 -3.76 0.73 0.00 0.04 0.00 0.00 34.50 31.42 1j8c s PRO 49 CO -0.00 -0.73 0.89 -0.85 0.04 0.00 0.00 177.00 176.35 1j8c n GLU 50 N 6.24 -0.03 -1.43 4.56 0.28 -0.98 0.51 120.64 129.77 1j8c n GLU 50 Ca 0.15 0.78 -0.25 0.00 -0.16 0.00 0.00 57.16 57.69 1j8c n GLU 50 Cb 0.43 -1.39 -0.07 0.00 1.43 0.00 0.00 31.44 31.83 1j8c n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1j8c n ASN 51 N -4.32 6.39 -4.35 -1.84 5.15 -1.26 -4.36 115.26 110.67 1j8c n ASN 51 Ca 0.21 -3.06 -0.33 0.00 -0.60 0.00 0.00 54.58 50.80 1j8c n ASN 51 Cb 0.70 -1.28 -0.15 0.00 -0.53 0.00 0.00 39.78 38.52 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1j8c s SER 52 N 0.68 3.85 0.32 1.20 0.15 0.18 -5.11 113.70 114.98 1j8c s SER 52 Ca 0.60 -0.36 -0.22 0.00 0.70 0.00 0.00 55.95 56.68 1j8c s SER 52 Cb 0.36 -1.51 -0.10 0.00 -1.71 0.00 0.00 66.02 63.06 1j8c s SER 52 CO -0.17 0.18 0.87 -0.44 1.20 0.00 0.00 173.24 174.87 1j8c s SER 53 N 0.26 7.10 0.38 5.45 0.01 -1.26 -4.30 113.70 121.35 1j8c s SER 53 Ca -0.11 1.63 0.05 0.00 1.31 0.00 0.00 55.95 58.84 1j8c s SER 53 Cb -0.16 -2.50 0.75 0.00 0.21 0.00 0.00 66.02 64.32 1j8c s SER 53 CO 0.06 -0.13 2.00 0.58 0.41 0.00 0.00 173.24 176.16 1j8c h VAL 54 N 2.39 1.14 -0.62 3.43 2.07 -1.77 -2.77 116.25 120.12 1j8c h VAL 54 Ca -0.48 -0.38 0.13 0.00 0.82 0.00 0.00 66.70 66.79 1j8c h VAL 54 Cb 1.19 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1j8c h VAL 54 CO 0.64 0.16 0.01 -0.61 0.02 0.00 0.00 177.57 177.79 1j8c h GLN 55 N 0.59 0.12 -0.01 1.57 5.75 -1.89 1.15 115.11 122.39 1j8c h GLN 55 Ca 0.15 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1j8c h GLN 55 Cb 0.05 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 1j8c h GLN 55 CO -0.02 0.08 -0.01 0.37 -2.65 0.00 0.00 178.83 176.60 1j8c h GLN 56 N 0.12 0.02 -0.74 1.69 4.15 -1.90 -2.93 115.11 115.53 1j8c h GLN 56 Ca 0.33 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.75 1j8c h GLN 56 Cb 0.53 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1j8c h GLN 56 CO -0.53 0.48 0.49 0.35 -1.93 0.00 0.00 178.83 177.69 1j8c h PHE 57 N -0.44 0.92 -0.30 3.99 3.57 -1.18 -2.39 116.94 121.11 1j8c h PHE 57 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1j8c h PHE 57 Cb 0.48 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1j8c h PHE 57 CO 0.09 0.57 0.11 0.87 -2.23 0.00 0.00 178.31 177.72 1j8c h LYS 58 N 0.98 0.24 0.00 1.11 1.57 0.14 -0.23 116.57 120.39 1j8c h LYS 58 Ca 0.27 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1j8c h LYS 58 Cb -0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1j8c h LYS 58 CO -0.06 0.16 -0.06 0.93 -0.57 0.00 0.00 179.45 179.85 1j8c h GLU 59 N 0.25 0.00 0.17 3.15 4.39 -1.25 -2.64 114.58 118.65 1j8c h GLU 59 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1j8c h GLU 59 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1j8c h GLU 59 CO -0.12 0.06 -0.08 0.00 -1.16 0.00 0.00 179.01 177.70 1j8c h ALA 60 N 1.94 -0.22 -0.92 3.43 0.00 -0.72 -2.55 119.26 120.22 1j8c h ALA 60 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1j8c h ALA 60 Cb 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1j8c h ALA 60 CO 0.01 -0.55 0.55 0.82 0.00 0.00 0.00 179.25 180.07 1j8c h ILE 61 N -0.37 1.25 -0.16 0.00 2.04 -1.26 -1.45 117.51 117.57 1j8c h ILE 61 Ca -0.02 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.33 1j8c h ILE 61 Cb 0.29 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 1j8c h ILE 61 CO 0.04 0.27 -0.18 -1.28 0.00 0.00 0.00 178.15 177.00 1j8c h SER 62 N 1.27 -0.56 0.25 1.72 0.87 -1.28 1.29 113.55 117.10 1j8c h SER 62 Ca 0.33 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 1j8c h SER 62 Cb -0.05 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1j8c h SER 62 CO -0.06 -0.22 -0.12 0.50 -0.53 0.00 0.00 176.83 176.40 1j8c h LYS 63 N -0.21 -0.32 0.17 2.24 1.63 -1.18 0.17 116.57 119.06 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 0.37 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1j8c h LYS 63 CO -0.28 0.03 -0.08 0.00 -3.45 0.00 0.00 179.45 175.67 1j8c h ARG 64 N -0.75 -0.22 -0.34 1.90 3.08 -1.18 -3.30 114.38 113.58 1j8c h ARG 64 Ca -0.03 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1j8c h ARG 64 Cb 0.50 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1j8c h ARG 64 CO 0.06 0.21 -0.26 0.35 -1.07 0.00 0.00 179.97 179.26 1j8c h PHE 65 N -0.83 0.77 -4.23 3.04 3.04 0.15 -3.49 116.94 115.39 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 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1j8c h PHE 65 CO 0.08 0.86 -0.29 1.17 -2.02 0.00 0.00 178.31 178.12 1j8c n LYS 66 N -4.10 -1.33 0.00 1.11 4.81 0.58 -4.99 118.16 114.24 1j8c n LYS 66 Ca -0.00 1.41 0.00 0.00 -0.87 0.00 0.00 58.31 58.84 1j8c n LYS 66 Cb 0.44 -3.74 0.00 0.00 0.02 0.00 0.00 35.03 31.75 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 -0.34 -0.05 -2.07 3.14 2.88 -1.23 -5.05 113.62 110.90 1j8c n SER 67 Ca 0.06 0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.58 1j8c n SER 67 Cb 0.23 0.38 0.01 0.00 -0.75 0.00 0.00 64.21 64.08 1j8c n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j8c n GLN 68 N -2.52 0.47 0.17 -1.46 6.02 -1.26 -5.08 117.38 113.72 1j8c n GLN 68 Ca 0.00 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1j8c n GLN 68 Cb 0.00 1.25 0.00 0.00 1.02 0.00 0.00 30.24 32.51 1j8c n GLN 68 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1j8c n THR 69 N -0.33 0.00 0.45 5.09 -1.04 -1.26 -4.04 114.28 113.15 1j8c n THR 69 Ca -0.03 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.81 1j8c n THR 69 Cb 0.31 -0.40 -0.08 0.00 -1.82 0.00 0.00 70.33 68.34 1j8c n THR 69 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1j8c h ASP 70 N 0.00 -0.96 0.45 8.00 3.32 -1.99 -2.88 116.42 122.35 1j8c h ASP 70 Ca 0.00 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1j8c h ASP 70 Cb 0.00 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1j8c h ASP 70 CO 0.00 -0.66 -0.18 1.56 -1.72 0.00 0.00 179.24 178.25 1j8c h GLN 71 N -1.20 0.00 -6.30 3.56 1.08 -1.96 -3.43 115.11 106.85 1j8c h GLN 71 Ca -0.12 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.43 1j8c h GLN 71 Cb 0.87 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.34 1j8c h GLN 71 CO 0.19 0.18 0.83 -0.11 -0.95 0.00 0.00 178.83 178.97 1j8c n LEU 72 N -3.70 2.70 -3.65 1.46 7.94 -1.09 -3.84 117.00 116.82 1j8c n LEU 72 Ca -0.02 1.06 -0.12 0.00 -1.11 0.00 0.00 56.01 55.83 1j8c n LEU 72 Cb 0.30 -1.29 -0.06 0.00 0.53 0.00 0.00 43.42 42.90 1j8c n LEU 72 CO 0.32 -0.43 0.15 0.54 -1.11 0.00 0.00 177.39 176.87 1j8c s VAL 73 N 2.37 0.06 -0.13 1.96 0.11 -1.07 -4.90 120.40 118.81 1j8c s VAL 73 Ca 0.89 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 1j8c s VAL 73 Cb -0.84 -1.06 0.02 0.00 -1.53 0.00 0.00 36.38 32.97 1j8c s VAL 73 CO 0.51 -0.29 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.06 1j8c s LEU 74 N -2.38 1.82 -0.62 2.54 1.02 -1.07 -0.51 118.68 119.48 1j8c s LEU 74 Ca -0.01 -0.49 -0.28 0.00 0.02 0.00 0.00 54.13 53.36 1j8c s LEU 74 Cb 0.01 -1.21 0.03 0.00 0.02 0.00 0.00 46.19 45.03 1j8c s LEU 74 CO -0.07 0.01 1.26 -0.63 0.02 0.00 0.00 176.35 176.95 1j8c s ILE 75 N 1.08 3.89 -0.79 -0.59 -1.09 0.21 0.12 121.20 124.02 1j8c s ILE 75 Ca -0.03 0.73 -0.17 0.00 -2.23 0.00 0.00 60.65 58.95 1j8c s ILE 75 Cb -0.14 -4.71 -0.13 0.00 -1.58 0.00 0.00 42.46 35.90 1j8c s ILE 75 CO -0.04 -1.44 1.96 0.33 -1.23 0.00 0.00 174.94 174.52 1j8c n PHE 76 N 8.94 1.69 -1.89 3.97 7.35 -0.99 -2.66 117.46 133.87 1j8c n PHE 76 Ca 0.08 -1.82 -0.14 0.00 -0.76 0.00 0.00 57.45 54.81 1j8c n PHE 76 Cb 0.49 -1.67 -0.03 0.00 0.35 0.00 0.00 39.48 38.62 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 6.53 -0.47 0.00 3.13 0.00 -1.26 -2.15 120.51 126.29 1j8c n ALA 77 Ca 0.47 0.17 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1j8c n ALA 77 Cb 0.32 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.53 4.53 0.00 0.00 0.00 -1.26 -5.12 105.19 102.81 1j8c n GLY 78 Ca -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.99 -3.84 1.61 5.02 -0.91 -5.04 118.16 115.99 1j8c n LYS 79 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1j8c n LYS 79 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.02 2.31 -1.05 -0.18 -5.25 -1.26 -2.36 121.20 113.44 1j8c s ILE 80 Ca 0.00 -3.55 -0.24 0.00 -0.99 0.00 0.00 60.65 55.87 1j8c s ILE 80 Cb 0.00 -2.56 -0.10 0.00 2.95 0.00 0.00 42.46 42.75 1j8c s ILE 80 CO 0.00 -0.94 2.00 -0.22 -1.79 0.00 0.00 174.94 173.99 1j8c s LEU 81 N -0.66 2.98 0.00 0.37 0.20 0.32 -4.61 118.68 117.28 1j8c s LEU 81 Ca 0.22 -1.11 0.00 0.00 0.69 0.00 0.00 54.13 53.93 1j8c s LEU 81 Cb -0.14 -2.58 0.00 0.00 -0.43 0.00 0.00 46.19 43.05 1j8c s LEU 81 CO -0.09 -3.27 0.00 2.29 -0.29 0.00 0.00 176.35 174.99 1j8c n LYS 82 N 8.50 0.00 0.15 1.98 2.85 -1.26 -2.60 118.16 127.77 1j8c n LYS 82 Ca 0.43 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.82 1j8c n LYS 82 Cb 0.46 0.00 0.49 0.00 -0.65 0.00 0.00 35.03 35.33 1j8c n LYS 82 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1j8c h ASP 83 N 0.00 0.00 -0.76 -5.58 3.04 -1.87 -3.16 116.42 108.10 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 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 1j8c h ASP 83 CO 0.00 0.00 0.51 1.56 -2.04 0.00 0.00 179.24 179.27 1j8c h GLN 84 N 0.00 0.31 0.00 4.15 1.08 -1.95 -3.45 115.11 115.25 1j8c h GLN 84 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1j8c h GLN 84 Cb 0.49 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1j8c h GLN 84 CO 0.00 0.21 0.00 -0.25 -0.95 0.00 0.00 178.83 177.84 1j8c n ASP 85 N -4.45 0.00 -4.89 1.46 8.00 -1.19 -5.16 116.55 110.32 1j8c n ASP 85 Ca 0.15 -0.99 -0.23 0.00 0.71 0.00 0.00 54.79 54.43 1j8c n ASP 85 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 1j8c n ASP 85 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j8c s THR 86 N -2.51 4.87 0.08 -3.53 -4.23 -1.26 -4.26 115.64 104.80 1j8c s THR 86 Ca 0.00 -1.08 -0.19 0.00 -1.18 0.00 0.00 61.69 59.24 1j8c s THR 86 Cb 0.00 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.16 1j8c s THR 86 CO 0.00 -0.25 1.52 0.25 -0.54 0.00 0.00 174.62 175.60 1j8c h LEU 87 N 1.68 0.40 -1.76 4.79 5.85 -1.88 -1.87 115.31 122.52 1j8c h LEU 87 Ca -0.49 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 57.92 1j8c h LEU 87 Cb 1.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1j8c h LEU 87 CO 0.63 0.61 0.00 0.16 -0.34 0.00 0.00 178.44 179.49 1j8c h ILE 88 N 0.19 0.00 0.00 4.05 3.07 -1.76 0.44 117.51 123.49 1j8c h ILE 88 Ca 0.07 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.34 1j8c h ILE 88 Cb 0.40 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 1j8c h ILE 88 CO 0.01 0.00 -1.11 1.67 -1.05 0.00 0.00 178.15 177.67 1j8c n GLN 89 N -2.65 0.18 0.00 0.16 7.27 -0.92 -4.87 117.38 116.55 1j8c n GLN 89 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1j8c n GLN 89 Cb 0.13 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.25 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 -1.75 0.00 0.02 3.69 -0.00 -0.71 -4.92 115.22 111.55 1j8c n HIS 90 Ca 0.02 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.09 1j8c n HIS 90 Cb 0.40 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.21 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 0.01 -2.18 1.57 0.00 -0.84 -3.46 103.07 98.17 1j8c h GLY 91 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1j8c h GLY 91 CO 0.00 -0.05 -0.24 -0.26 0.00 0.00 0.00 176.54 176.00 1j8c s ILE 92 N -6.19 0.00 0.00 2.60 -5.25 0.14 -4.86 121.20 107.64 1j8c s ILE 92 Ca -0.13 -1.57 0.00 0.00 -0.99 0.00 0.00 60.65 57.95 1j8c s ILE 92 Cb 0.08 -2.37 0.00 0.00 2.95 0.00 0.00 42.46 43.11 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 -0.40 0.00 0.00 1.37 8.25 -1.26 -3.91 115.22 119.27 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 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 -1.82 0.00 0.00 0.41 5.68 -1.26 -5.00 116.55 114.56 1j8c n ASP 94 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1j8c n ASP 94 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1j8c n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j8c n GLY 95 N 0.00 0.42 0.00 6.12 0.00 -0.69 -4.56 105.19 106.47 1j8c n GLY 95 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.05 0.99 4.32 -1.24 -4.84 117.00 112.18 1j8c n LEU 96 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 1j8c n LEU 96 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 1j8c n LEU 96 CO 0.00 -0.33 -0.41 -0.89 -1.22 0.00 0.00 177.39 174.54 1j8c s THR 97 N 0.59 0.61 0.04 -5.08 2.01 -1.26 -0.60 115.64 111.96 1j8c s THR 97 Ca 0.00 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1j8c s THR 97 Cb 0.00 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1j8c s THR 97 CO 0.00 -0.20 -0.01 0.54 -0.69 0.00 0.00 174.62 174.25 1j8c s VAL 98 N -1.00 0.19 -0.33 3.82 0.11 -0.98 -4.79 120.40 117.41 1j8c s VAL 98 Ca -0.05 -1.55 -0.20 0.00 -2.93 0.00 0.00 61.98 57.24 1j8c s VAL 98 Cb -0.08 -1.21 -0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1j8c s VAL 98 CO 0.00 -0.86 0.63 -1.00 -3.33 0.00 0.00 175.10 170.55 1j8c s HIS 99 N -3.31 3.18 -0.07 1.54 3.76 -1.09 -2.36 115.29 116.93 1j8c s HIS 99 Ca 0.01 0.44 -0.21 0.00 -0.15 0.00 0.00 55.06 55.16 1j8c s HIS 99 Cb 0.04 -3.07 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 1j8c s HIS 99 CO -0.08 -0.56 0.58 -1.17 -0.85 0.00 0.00 174.74 172.66 1j8c s LEU 100 N 2.66 4.33 -0.08 0.89 0.20 0.69 0.63 118.68 127.99 1j8c s LEU 100 Ca 0.25 1.03 -0.04 0.00 0.69 0.00 0.00 54.13 56.05 1j8c s LEU 100 Cb -0.15 -2.88 0.04 0.00 -0.43 0.00 0.00 46.19 42.77 1j8c s LEU 100 CO 0.14 -0.01 0.20 0.68 -0.29 0.00 0.00 176.35 177.06 1j8c s VAL 101 N 0.47 -0.04 -0.17 1.68 -7.23 0.33 -4.53 120.40 110.91 1j8c s VAL 101 Ca 0.31 0.15 -0.05 0.00 -1.81 0.00 0.00 61.98 60.58 1j8c s VAL 101 Cb -0.17 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1j8c s VAL 101 CO 0.15 0.06 0.00 0.27 -0.31 0.00 0.00 175.10 175.27 1j8c s ILE 102 N 1.13 4.27 -2.56 -0.62 -5.25 -1.26 -2.58 121.20 114.34 1j8c s ILE 102 Ca -0.09 -0.22 0.28 0.00 -0.99 0.00 0.00 60.65 59.63 1j8c s ILE 102 Cb -0.10 -2.90 0.51 0.00 2.95 0.00 0.00 42.46 42.92 1j8c s ILE 102 CO -0.07 0.48 1.69 0.29 -1.79 0.00 0.00 174.94 175.55