#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 3.08 0.13 3.04 0.00 -1.26 -5.03 121.76 121.73 1j8c s ALA 2 Ca 0.00 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 1j8c s ALA 2 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 1j8c s ALA 2 CO 0.00 0.01 0.78 -1.21 0.00 0.00 0.00 175.76 175.34 1j8c s GLU 3 N -2.68 4.55 -1.33 0.00 2.02 -1.26 -4.01 118.70 116.00 1j8c s GLU 3 Ca 0.58 1.14 -0.00 0.00 0.02 0.00 0.00 54.97 56.71 1j8c s GLU 3 Cb -0.16 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1j8c s GLU 3 CO 0.20 0.48 0.65 -1.71 0.02 0.00 0.00 175.26 174.90 1j8c n ASN 4 N 1.97 -1.04 0.00 -0.19 2.85 -1.26 -4.95 115.26 112.64 1j8c n ASN 4 Ca -0.04 -0.86 0.00 0.00 -0.11 0.00 0.00 54.58 53.57 1j8c n ASN 4 Cb 0.49 -3.86 0.00 0.00 1.24 0.00 0.00 39.78 37.65 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 -1.65 1.59 2.71 8.20 0.00 -1.26 -4.88 105.19 109.90 1j8c n GLY 5 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1j8c n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j8c s GLU 6 N 0.00 0.15 0.08 1.61 -6.30 -1.26 -4.99 118.70 107.99 1j8c s GLU 6 Ca 0.00 0.12 0.00 0.00 -2.50 0.00 0.00 54.97 52.59 1j8c s GLU 6 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 34.13 32.73 1j8c s GLU 6 CO 0.00 -0.66 0.00 0.43 0.02 0.00 0.00 175.26 175.05 1j8c n SER 7 N 5.31 -0.60 -0.09 -1.70 7.64 -1.26 -5.02 113.62 117.89 1j8c n SER 7 Ca -0.06 0.16 -0.15 0.00 1.01 0.00 0.00 58.87 59.83 1j8c n SER 7 Cb 0.49 0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 64.47 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 -2.69 1.87 0.00 6.43 2.88 -1.26 -5.10 113.62 115.74 1j8c n SER 8 Ca 0.00 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1j8c n SER 8 Cb 0.00 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 1.48 1.71 3.79 0.46 0.00 -1.26 -5.15 105.19 106.22 1j8c n GLY 9 Ca -0.23 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 1.67 2.55 -0.15 1.61 0.04 -1.26 -4.89 135.00 134.57 1j8c s PRO 10 Ca 0.00 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 1j8c s PRO 10 Cb 0.00 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1j8c s PRO 10 CO 0.00 -1.39 1.35 -1.25 0.04 0.00 0.00 177.00 175.75 1j8c s PRO 11 N -4.99 4.20 -0.02 0.56 0.04 -1.26 -4.93 135.00 128.60 1j8c s PRO 11 Ca 0.60 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 63.16 1j8c s PRO 11 Cb -0.15 -3.82 -0.16 0.00 0.04 0.00 0.00 34.50 30.41 1j8c s PRO 11 CO 0.55 -0.76 1.06 -0.09 0.04 0.00 0.00 177.00 177.80 1j8c h ARG 12 N 8.56 -0.33 -6.69 4.56 9.65 -2.01 -3.43 114.38 124.69 1j8c h ARG 12 Ca -0.29 0.02 -0.51 0.00 -1.10 0.00 0.00 59.98 58.10 1j8c h ARG 12 Cb 1.12 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.78 1j8c h ARG 12 CO 0.97 0.03 0.50 -1.25 2.80 0.00 0.00 179.97 183.01 1j8c s PRO 13 N -4.10 4.57 0.89 0.20 0.04 -1.26 -5.01 135.00 130.33 1j8c s PRO 13 Ca -0.13 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 1j8c s PRO 13 Cb 0.01 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.43 1j8c s PRO 13 CO 0.50 0.05 1.11 -1.54 0.04 0.00 0.00 177.00 177.17 1j8c s SER 14 N -0.18 3.31 -0.35 6.66 1.04 -1.26 -4.98 113.70 117.94 1j8c s SER 14 Ca 0.49 1.95 0.14 0.00 0.48 0.00 0.00 55.95 59.01 1j8c s SER 14 Cb -0.31 -2.49 0.45 0.00 0.10 0.00 0.00 66.02 63.78 1j8c s SER 14 CO 0.36 -2.81 1.02 -1.14 0.98 0.00 0.00 173.24 171.66 1j8c n ARG 15 N -4.03 1.98 0.00 4.02 0.00 -1.26 -4.98 116.66 112.38 1j8c n ARG 15 Ca 0.10 -3.68 0.00 0.00 -0.00 0.00 0.00 57.85 54.27 1j8c n ARG 15 Cb 0.53 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.37 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j8c n GLY 16 N -0.27 0.55 3.27 5.14 0.00 -1.26 -4.96 105.19 107.67 1j8c n GLY 16 Ca 0.19 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1j8c n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j8c n PRO 17 N 0.00 1.98 -2.26 1.61 -0.04 -1.26 -4.94 135.00 130.09 1j8c n PRO 17 Ca 0.00 -2.36 -0.28 0.00 -0.04 0.00 0.00 63.50 60.82 1j8c n PRO 17 Cb 0.00 -3.31 0.03 0.00 -0.04 0.00 0.00 33.50 30.18 1j8c n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c s ALA 18 N 6.54 3.20 -1.18 0.55 0.00 -1.26 -4.99 121.76 124.62 1j8c s ALA 18 Ca 0.59 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 1j8c s ALA 18 Cb 0.08 -2.72 0.19 0.00 0.00 0.00 0.00 23.12 20.67 1j8c s ALA 18 CO 0.09 -0.86 1.35 0.00 0.00 0.00 0.00 175.76 176.34 1j8c s ALA 19 N -3.08 4.15 0.64 0.00 0.00 -1.26 -5.02 121.76 117.19 1j8c s ALA 19 Ca 0.55 -3.45 -0.15 0.00 0.00 0.00 0.00 51.96 48.90 1j8c s ALA 19 Cb -0.11 -4.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 1j8c s ALA 19 CO 0.47 -2.65 1.08 0.00 0.00 0.00 0.00 175.76 174.66 1j8c s ALA 20 N 0.98 2.59 0.32 0.00 0.00 -1.26 -5.03 121.76 119.36 1j8c s ALA 20 Ca 0.40 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 1j8c s ALA 20 Cb -0.04 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1j8c s ALA 20 CO -0.02 -1.09 0.60 -1.14 0.00 0.00 0.00 175.76 174.11 1j8c s GLN 21 N -4.15 3.64 0.00 0.00 2.00 -1.26 -4.86 119.66 115.02 1j8c s GLN 21 Ca 0.65 0.06 0.00 0.00 -2.00 0.00 0.00 55.36 54.07 1j8c s GLN 21 Cb -0.18 -2.59 0.00 0.00 0.80 0.00 0.00 33.01 31.03 1j8c s GLN 21 CO 0.41 0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.75 1j8c n GLY 22 N -1.12 0.39 3.67 2.59 0.00 -1.26 -5.11 105.19 104.34 1j8c n GLY 22 Ca -0.01 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1j8c n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j8c s SER 23 N 0.00 6.76 0.00 1.61 0.01 -1.26 -4.71 113.70 116.10 1j8c s SER 23 Ca 0.00 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1j8c s SER 23 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1j8c s SER 23 CO 0.00 -0.28 0.00 0.00 0.41 0.00 0.00 173.24 173.37 1j8c n ALA 24 N 4.99 0.00 -2.26 1.44 0.00 -1.26 -5.15 120.51 118.27 1j8c n ALA 24 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1j8c n ALA 24 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.37 4.51 -0.32 0.00 0.00 -1.26 -5.05 121.76 118.27 1j8c s ALA 25 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 1j8c s ALA 25 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1j8c s ALA 25 CO 0.00 -0.58 1.34 0.00 0.00 0.00 0.00 175.76 176.52 1j8c s ALA 26 N -2.72 3.29 -0.26 0.00 0.00 -1.26 -4.87 121.76 115.95 1j8c s ALA 26 Ca 0.45 0.06 0.28 0.00 0.00 0.00 0.00 51.96 52.75 1j8c s ALA 26 Cb -0.04 -3.82 1.07 0.00 0.00 0.00 0.00 23.12 20.34 1j8c s ALA 26 CO 0.28 -1.92 1.82 -1.00 0.00 0.00 0.00 175.76 174.94 1j8c h PRO 27 N 9.67 0.00 -1.08 0.00 0.13 -1.99 -3.16 132.00 135.57 1j8c h PRO 27 Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 1j8c h PRO 27 Cb 1.10 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.81 1j8c h PRO 27 CO 1.04 0.00 -0.69 0.00 -0.23 0.00 0.00 178.00 178.12 1j8c n ALA 28 N -1.93 5.11 0.06 -0.56 0.00 -1.26 -4.81 120.51 117.12 1j8c n ALA 28 Ca 0.02 -3.99 -0.09 0.00 0.00 0.00 0.00 53.44 49.37 1j8c n ALA 28 Cb 0.31 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 1j8c n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1j8c h GLU 29 N 2.34 -0.23 0.00 0.00 5.08 -1.96 -3.42 114.58 116.39 1j8c h GLU 29 Ca 0.36 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1j8c h GLU 29 Cb 1.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1j8c h GLU 29 CO 0.84 0.13 0.00 -0.35 -1.00 0.00 0.00 179.01 178.63 1j8c n PRO 30 N -4.93 0.00 -4.38 2.33 -0.04 -1.26 -4.30 135.00 122.41 1j8c n PRO 30 Ca -0.07 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.01 1j8c n PRO 30 Cb 0.24 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.54 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 0.00 -1.70 -1.57 0.54 3.00 -1.26 -2.14 118.16 115.03 1j8c n LYS 31 Ca 0.00 0.23 -0.45 0.00 -0.00 0.00 0.00 58.31 58.09 1j8c n LYS 31 Cb 0.00 -4.71 -0.04 0.00 0.00 0.00 0.00 35.03 30.29 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1j8c n ILE 32 N -4.25 0.31 -2.42 3.15 -0.00 -1.26 -2.95 119.36 111.94 1j8c n ILE 32 Ca 0.03 -0.43 -0.24 0.00 -0.00 0.00 0.00 62.75 62.11 1j8c n ILE 32 Cb 0.51 -2.39 0.09 0.00 -0.00 0.00 0.00 39.64 37.85 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 8.16 2.26 0.00 1.39 -4.36 -0.43 -4.75 121.20 123.47 1j8c s ILE 33 Ca 1.03 -0.46 0.02 0.00 -0.26 0.00 0.00 60.65 60.98 1j8c s ILE 33 Cb -0.44 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.43 1j8c s ILE 33 CO 0.38 0.00 -0.03 -0.54 0.24 0.00 0.00 174.94 174.98 1j8c s LYS 34 N -5.18 2.66 -0.14 0.37 1.02 -1.26 -2.67 119.74 114.54 1j8c s LYS 34 Ca 0.64 -0.67 -0.03 0.00 0.02 0.00 0.00 55.97 55.94 1j8c s LYS 34 Cb -0.07 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.70 1j8c s LYS 34 CO 0.44 0.61 0.04 0.54 -0.92 0.00 0.00 175.35 176.06 1j8c s VAL 35 N -1.04 0.33 -0.61 3.17 0.11 -1.05 -0.81 120.40 120.50 1j8c s VAL 35 Ca 0.18 -0.21 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 1j8c s VAL 35 Cb -0.11 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1j8c s VAL 35 CO 0.09 -0.05 1.06 -0.89 -3.33 0.00 0.00 175.10 171.98 1j8c s THR 36 N 1.96 4.18 -0.16 5.04 2.01 0.13 -1.36 115.64 127.45 1j8c s THR 36 Ca 0.02 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 1j8c s THR 36 Cb -0.15 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.65 1j8c s THR 36 CO -0.07 -1.35 0.36 -0.69 -0.69 0.00 0.00 174.62 172.18 1j8c s VAL 37 N 4.49 5.25 -0.25 3.82 1.01 -1.01 -2.09 120.40 131.62 1j8c s VAL 37 Ca 0.32 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.88 1j8c s VAL 37 Cb -0.11 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1j8c s VAL 37 CO 0.18 0.34 0.15 -0.75 0.00 0.00 0.00 175.10 175.02 1j8c s LYS 38 N 0.73 3.95 0.38 2.72 2.20 -0.97 -2.65 119.74 126.09 1j8c s LYS 38 Ca 0.19 -0.33 0.08 0.00 -0.36 0.00 0.00 55.97 55.55 1j8c s LYS 38 Cb -0.14 -3.53 -0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1j8c s LYS 38 CO 0.06 -0.06 -0.04 0.95 -0.36 0.00 0.00 175.35 175.90 1j8c s THR 39 N 1.39 2.12 -0.89 3.43 -4.23 -1.08 -2.07 115.64 114.30 1j8c s THR 39 Ca 0.07 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 1j8c s THR 39 Cb -0.15 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 1j8c s THR 39 CO 0.07 -0.09 2.08 -0.81 -0.54 0.00 0.00 174.62 175.32 1j8c n PRO 40 N -0.89 2.01 0.00 3.99 -0.04 -1.26 -3.01 135.00 135.79 1j8c n PRO 40 Ca -0.05 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1j8c n PRO 40 Cb 0.65 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 4.50 0.00 -3.86 0.54 3.00 -1.26 -5.16 118.16 115.92 1j8c n LYS 41 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.75 1j8c n LYS 41 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.20 1j8c n LYS 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1j8c s GLU 42 N -1.67 0.85 -0.17 1.64 2.12 -1.16 -5.15 118.70 115.15 1j8c s GLU 42 Ca 0.00 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 54.76 1j8c s GLU 42 Cb 0.00 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1j8c s GLU 42 CO 0.00 -0.40 -0.02 0.15 -0.54 0.00 0.00 175.26 174.45 1j8c s LYS 43 N -2.27 3.66 -0.04 4.30 1.02 -1.26 -2.63 119.74 122.52 1j8c s LYS 43 Ca 0.22 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.71 1j8c s LYS 43 Cb -0.01 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1j8c s LYS 43 CO 0.02 0.16 -0.05 -1.21 -0.92 0.00 0.00 175.35 173.35 1j8c s GLU 44 N 0.60 0.78 0.33 1.68 0.41 -1.09 -5.00 118.70 116.41 1j8c s GLU 44 Ca -0.02 -0.12 -0.16 0.00 -0.41 0.00 0.00 54.97 54.26 1j8c s GLU 44 Cb -0.14 -0.78 -0.09 0.00 -1.78 0.00 0.00 34.13 31.33 1j8c s GLU 44 CO 0.02 -0.05 0.75 -1.21 -0.49 0.00 0.00 175.26 174.29 1j8c s GLU 45 N 0.75 4.03 -0.11 1.61 2.02 -1.26 -2.39 118.70 123.35 1j8c s GLU 45 Ca -0.10 0.71 0.01 0.00 0.02 0.00 0.00 54.97 55.61 1j8c s GLU 45 Cb -0.13 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1j8c s GLU 45 CO 0.00 0.15 -0.12 -0.06 0.02 0.00 0.00 175.26 175.25 1j8c s PHE 46 N -1.98 1.77 -0.19 1.61 0.08 -0.46 -4.92 117.98 113.88 1j8c s PHE 46 Ca 0.54 -0.87 -0.21 0.00 0.12 0.00 0.00 56.93 56.52 1j8c s PHE 46 Cb -0.10 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1j8c s PHE 46 CO 0.17 -0.50 0.64 0.00 -0.10 0.00 0.00 175.22 175.44 1j8c s ALA 47 N 1.30 3.53 0.03 5.36 0.00 -1.26 -2.54 121.76 128.17 1j8c s ALA 47 Ca -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 1j8c s ALA 47 Cb -0.14 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1j8c s ALA 47 CO -0.05 -0.52 0.08 0.14 0.00 0.00 0.00 175.76 175.41 1j8c s VAL 48 N 1.83 0.13 -0.02 0.00 -7.23 -1.09 -4.98 120.40 109.04 1j8c s VAL 48 Ca 0.30 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.13 1j8c s VAL 48 Cb -0.16 -0.76 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 1j8c s VAL 48 CO 0.11 -0.57 1.57 -2.16 -0.31 0.00 0.00 175.10 173.74 1j8c s PRO 49 N -2.30 4.21 0.19 4.82 0.04 -1.26 -1.32 135.00 139.38 1j8c s PRO 49 Ca -0.08 2.13 0.08 0.00 0.04 0.00 0.00 61.00 63.17 1j8c s PRO 49 Cb -0.03 -3.79 0.61 0.00 0.04 0.00 0.00 34.50 31.34 1j8c s PRO 49 CO -0.03 -0.75 0.85 0.39 0.04 0.00 0.00 177.00 177.50 1j8c n GLU 50 N 6.33 -0.04 -1.24 4.56 1.02 -0.91 0.36 120.64 130.73 1j8c n GLU 50 Ca 0.16 0.76 -0.20 0.00 -0.02 0.00 0.00 57.16 57.86 1j8c n GLU 50 Cb 0.43 -1.31 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 1j8c n GLU 50 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1j8c n ASN 51 N -4.37 6.02 -4.18 1.62 0.23 -1.26 -4.34 115.26 108.98 1j8c n ASN 51 Ca 0.18 -2.92 -0.36 0.00 -0.53 0.00 0.00 54.58 50.94 1j8c n ASN 51 Cb 0.59 -1.27 -0.13 0.00 -2.08 0.00 0.00 39.78 36.89 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1j8c s SER 52 N 0.94 5.04 0.62 0.53 0.15 0.16 -5.09 113.70 116.05 1j8c s SER 52 Ca 0.57 -1.39 -0.19 0.00 0.70 0.00 0.00 55.95 55.64 1j8c s SER 52 Cb 0.34 -1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 62.86 1j8c s SER 52 CO -0.12 -0.33 1.31 -1.20 1.20 0.00 0.00 173.24 174.10 1j8c n SER 53 N 4.65 2.26 -0.01 5.45 7.64 -1.26 -4.42 113.62 127.93 1j8c n SER 53 Ca -0.11 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1j8c n SER 53 Cb 0.43 -1.56 0.30 0.00 -1.01 0.00 0.00 64.21 62.37 1j8c n SER 53 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1j8c h VAL 54 N 0.81 1.19 -0.83 0.44 2.07 -1.77 -2.89 116.25 115.27 1j8c h VAL 54 Ca -0.51 -0.71 0.19 0.00 0.82 0.00 0.00 66.70 66.49 1j8c h VAL 54 Cb 1.33 0.86 -0.11 0.00 -1.52 0.00 0.00 31.29 31.84 1j8c h VAL 54 CO 0.54 0.25 0.31 -0.61 0.02 0.00 0.00 177.57 178.08 1j8c h GLN 55 N 0.54 0.37 0.17 1.57 4.15 -1.89 1.08 115.11 121.10 1j8c h GLN 55 Ca 0.12 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1j8c h GLN 55 Cb 0.27 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1j8c h GLN 55 CO 0.00 0.24 -0.08 1.96 -1.93 0.00 0.00 178.83 179.02 1j8c h GLN 56 N 0.38 -0.22 -0.73 1.69 4.20 -1.88 -2.92 115.11 115.62 1j8c h GLN 56 Ca 0.49 0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.22 1j8c h GLN 56 Cb 0.86 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1j8c h GLN 56 CO -0.50 0.19 0.49 0.35 -0.67 0.00 0.00 178.83 178.69 1j8c h PHE 57 N -0.75 0.91 -0.75 2.96 3.57 -1.35 -1.71 116.94 119.82 1j8c h PHE 57 Ca -0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1j8c h PHE 57 Cb 0.52 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1j8c h PHE 57 CO 0.07 0.57 0.46 0.87 -2.23 0.00 0.00 178.31 178.05 1j8c h LYS 58 N 0.98 0.83 0.00 1.11 1.79 0.12 -0.26 116.57 121.14 1j8c h LYS 58 Ca 0.27 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1j8c h LYS 58 Cb -0.10 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.37 1j8c h LYS 58 CO -0.06 0.55 -0.06 0.93 -1.08 0.00 0.00 179.45 179.73 1j8c h GLU 59 N 0.85 0.00 -0.64 3.15 5.08 -1.20 -3.20 114.58 118.63 1j8c h GLU 59 Ca 0.32 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1j8c h GLU 59 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1j8c h GLU 59 CO -0.15 0.06 0.21 0.00 -1.00 0.00 0.00 179.01 178.12 1j8c h ALA 60 N 1.94 0.84 -0.46 3.43 0.00 -0.17 -2.57 119.26 122.27 1j8c h ALA 60 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1j8c h ALA 60 Cb 0.84 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j8c h ALA 60 CO 0.01 0.50 0.28 0.82 0.00 0.00 0.00 179.25 180.87 1j8c h ILE 61 N 0.92 1.13 -0.09 0.00 2.04 -1.50 -2.45 117.51 117.56 1j8c h ILE 61 Ca 0.21 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1j8c h ILE 61 Cb 0.28 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1j8c h ILE 61 CO -0.01 0.13 -0.21 0.77 0.00 0.00 0.00 178.15 178.84 1j8c h SER 62 N 0.63 -0.63 0.27 1.72 4.64 -1.58 1.02 113.55 119.62 1j8c h SER 62 Ca 0.17 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1j8c h SER 62 Cb -0.04 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1j8c h SER 62 CO -0.03 -0.26 -0.13 0.11 -0.87 0.00 0.00 176.83 175.64 1j8c h LYS 63 N -0.29 -0.35 0.17 4.77 6.56 -1.54 0.59 116.57 126.47 1j8c h LYS 63 Ca 0.09 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.69 1j8c h LYS 63 Cb 0.41 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1j8c h LYS 63 CO -0.25 -0.01 -0.08 -0.09 -2.06 0.00 0.00 179.45 176.96 1j8c h ARG 64 N -0.80 -0.22 -0.28 3.15 9.65 -1.40 -3.31 114.38 121.16 1j8c h ARG 64 Ca -0.04 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 1j8c h ARG 64 Cb 0.51 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1j8c h ARG 64 CO 0.06 0.21 -0.32 0.35 2.80 0.00 0.00 179.97 183.06 1j8c h PHE 65 N -0.86 0.71 -4.06 2.20 3.04 0.86 -3.49 116.94 115.33 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 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1j8c h PHE 65 CO 0.08 0.86 -0.23 1.63 -2.02 0.00 0.00 178.31 178.63 1j8c n LYS 66 N -4.07 -1.11 0.00 1.11 5.02 0.20 -4.98 118.16 114.32 1j8c n LYS 66 Ca -0.01 1.26 0.00 0.00 -2.02 0.00 0.00 58.31 57.54 1j8c n LYS 66 Cb 0.47 -3.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 1j8c n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j8c n SER 67 N -0.41 0.00 -2.50 4.39 2.88 -1.23 -5.03 113.62 111.73 1j8c n SER 67 Ca 0.06 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1j8c n SER 67 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.00 -0.99 0.22 -1.46 6.02 -1.26 -4.76 117.38 115.15 1j8c n GLN 68 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1j8c n GLN 68 Cb 0.00 -0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 -2.50 0.00 0.00 5.09 -1.04 -1.26 -4.44 114.28 110.12 1j8c n THR 69 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j8c n THR 69 Cb 0.00 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 1j8c n THR 69 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1j8c n ASP 70 N -3.43 0.00 0.28 8.00 8.00 -1.26 -2.86 116.55 125.27 1j8c n ASP 70 Ca 0.00 0.98 0.13 0.00 0.71 0.00 0.00 54.79 56.61 1j8c n ASP 70 Cb 0.00 -0.48 0.79 0.00 -0.02 0.00 0.00 41.12 41.40 1j8c n ASP 70 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1j8c h GLN 71 N 0.00 0.00 -5.83 -1.24 4.20 -1.95 -3.39 115.11 106.89 1j8c h GLN 71 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 1j8c h GLN 71 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1j8c h GLN 71 CO 0.00 0.06 1.35 -1.17 -0.67 0.00 0.00 178.83 178.40 1j8c s LEU 72 N -7.80 3.30 0.37 1.46 0.20 -1.13 -2.00 118.68 113.07 1j8c s LEU 72 Ca -0.04 0.47 0.08 0.00 0.69 0.00 0.00 54.13 55.33 1j8c s LEU 72 Cb 0.15 -2.52 -0.07 0.00 -0.43 0.00 0.00 46.19 43.31 1j8c s LEU 72 CO 0.59 -2.60 -0.05 0.68 -0.29 0.00 0.00 176.35 174.67 1j8c s VAL 73 N 10.25 2.13 0.00 1.68 -7.23 -1.09 -4.74 120.40 121.40 1j8c s VAL 73 Ca 0.77 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1j8c s VAL 73 Cb -0.13 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1j8c s VAL 73 CO 0.20 -0.12 -0.02 -0.76 -0.31 0.00 0.00 175.10 174.10 1j8c s LEU 74 N -3.65 3.41 -0.77 1.32 1.02 -1.11 -1.65 118.68 117.25 1j8c s LEU 74 Ca 0.34 -0.05 -0.09 0.00 0.02 0.00 0.00 54.13 54.34 1j8c s LEU 74 Cb 0.06 -1.96 0.20 0.00 0.02 0.00 0.00 46.19 44.51 1j8c s LEU 74 CO 0.17 0.28 0.66 -0.63 0.02 0.00 0.00 176.35 176.85 1j8c s ILE 75 N -1.06 4.86 -1.05 -0.59 -1.09 0.22 0.11 121.20 122.59 1j8c s ILE 75 Ca 0.19 -2.77 -0.24 0.00 -2.23 0.00 0.00 60.65 55.60 1j8c s ILE 75 Cb -0.11 -4.05 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 1j8c s ILE 75 CO 0.10 -0.98 2.02 0.12 -1.23 0.00 0.00 174.94 174.97 1j8c s PHE 76 N -0.06 1.69 -1.08 3.97 5.36 -0.75 -2.66 117.98 124.44 1j8c s PHE 76 Ca 0.19 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.19 1j8c s PHE 76 Cb -0.14 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1j8c s PHE 76 CO -0.07 -1.27 0.00 0.00 -1.46 0.00 0.00 175.22 172.43 1j8c n ALA 77 N 15.80 -0.76 0.00 11.12 0.00 -1.26 -1.81 120.51 143.60 1j8c n ALA 77 Ca 0.43 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1j8c n ALA 77 Cb 0.46 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.79 3.53 1.87 0.00 0.00 -1.25 -5.10 105.19 103.45 1j8c n GLY 78 Ca -0.15 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.42 -3.85 1.61 5.02 -0.75 -4.95 118.16 111.82 1j8c n LYS 79 Ca 0.00 -0.87 -0.33 0.00 -2.02 0.00 0.00 58.31 55.08 1j8c n LYS 79 Cb 0.00 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.73 3.05 -0.92 -0.18 -5.25 -1.26 -1.82 121.20 113.09 1j8c s ILE 80 Ca 0.39 -2.87 -0.26 0.00 -0.99 0.00 0.00 60.65 56.92 1j8c s ILE 80 Cb -0.06 -3.07 -0.14 0.00 2.95 0.00 0.00 42.46 42.13 1j8c s ILE 80 CO 0.32 -0.78 2.21 -0.22 -1.79 0.00 0.00 174.94 174.68 1j8c s LEU 81 N 0.16 2.80 0.00 0.37 0.20 0.29 -4.60 118.68 117.91 1j8c s LEU 81 Ca 0.15 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.46 1j8c s LEU 81 Cb -0.22 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.97 1j8c s LEU 81 CO -0.03 -3.85 0.00 1.17 -0.29 0.00 0.00 176.35 173.35 1j8c n LYS 82 N 8.61 0.00 0.15 1.98 4.81 -1.26 -2.77 118.16 129.67 1j8c n LYS 82 Ca 0.44 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.01 1j8c n LYS 82 Cb 0.45 0.00 0.49 0.00 0.02 0.00 0.00 35.03 35.99 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 -0.16 3.14 2.03 -1.86 -3.01 116.42 116.55 1j8c h ASP 83 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1j8c h ASP 83 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1j8c h ASP 83 CO 0.00 0.00 0.02 -0.61 -1.03 0.00 0.00 179.24 177.62 1j8c h GLN 84 N 0.00 0.38 -4.92 4.15 4.15 -1.95 -3.45 115.11 113.48 1j8c h GLN 84 Ca 0.00 -0.06 -0.35 0.00 0.77 0.00 0.00 58.65 59.01 1j8c h GLN 84 Cb 0.49 -0.07 -0.14 0.00 0.21 0.00 0.00 27.48 27.97 1j8c h GLN 84 CO 0.00 0.40 -0.63 0.16 -1.93 0.00 0.00 178.83 176.83 1j8c s ASP 85 N -6.80 1.36 0.06 -0.69 1.47 -1.14 -5.15 116.67 105.78 1j8c s ASP 85 Ca -0.07 -1.31 -0.02 0.00 1.18 0.00 0.00 52.55 52.33 1j8c s ASP 85 Cb 0.16 0.11 -0.04 0.00 -0.34 0.00 0.00 42.92 42.81 1j8c s ASP 85 CO 0.74 -0.66 0.24 0.42 0.68 0.00 0.00 175.17 176.59 1j8c s THR 86 N -3.66 5.35 0.22 2.11 -4.23 -1.26 -4.38 115.64 109.80 1j8c s THR 86 Ca 0.33 -0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1j8c s THR 86 Cb 0.07 -3.61 0.17 0.00 1.34 0.00 0.00 72.50 70.47 1j8c s THR 86 CO 0.11 0.17 1.80 0.25 -0.54 0.00 0.00 174.62 176.41 1j8c h LEU 87 N 3.23 0.56 -0.51 4.79 5.85 -1.87 -0.29 115.31 127.08 1j8c h LEU 87 Ca -0.46 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1j8c h LEU 87 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1j8c h LEU 87 CO 0.73 0.34 0.00 2.30 -0.34 0.00 0.00 178.44 181.48 1j8c n ILE 88 N -4.79 0.79 0.78 4.05 -5.35 -1.26 -1.14 119.36 112.44 1j8c n ILE 88 Ca 0.10 0.15 0.09 0.00 -0.27 0.00 0.00 62.75 62.83 1j8c n ILE 88 Cb 0.22 -1.05 0.03 0.00 -1.74 0.00 0.00 39.64 37.11 1j8c n ILE 88 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1j8c n GLN 89 N -2.14 1.58 0.00 6.28 7.27 -0.18 -4.87 117.38 125.31 1j8c n GLN 89 Ca 0.03 -1.14 0.00 0.00 0.07 0.00 0.00 57.00 55.96 1j8c n GLN 89 Cb 0.25 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.57 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 0.33 0.00 0.03 3.69 -0.00 -0.81 -4.88 115.22 113.57 1j8c n HIS 90 Ca 0.09 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.16 1j8c n HIS 90 Cb 0.41 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.22 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 -3.85 1.57 0.00 -1.43 -3.45 103.07 95.90 1j8c h GLY 91 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1j8c h GLY 91 CO 0.00 -0.04 0.06 -0.26 0.00 0.00 0.00 176.54 176.30 1j8c s ILE 92 N -6.19 0.02 -0.11 2.60 -5.25 -0.29 -4.81 121.20 107.17 1j8c s ILE 92 Ca -0.13 -0.17 0.19 0.00 -0.99 0.00 0.00 60.65 59.55 1j8c s ILE 92 Cb 0.07 -0.94 -0.28 0.00 2.95 0.00 0.00 42.46 44.26 1j8c s ILE 92 CO 0.67 -0.09 0.26 1.41 -1.79 0.00 0.00 174.94 175.40 1j8c n HIS 93 N 0.67 0.00 0.00 1.37 8.25 -1.26 -4.23 115.22 120.02 1j8c n HIS 93 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1j8c n HIS 93 Cb 0.59 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.47 0.00 0.00 0.41 2.03 -1.26 -4.97 116.55 110.29 1j8c n ASP 94 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1j8c n ASP 94 Cb 0.84 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.76 3.77 0.27 0.00 0.01 -4.64 105.19 105.36 1j8c n GLY 95 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 2.50 0.07 0.99 1.02 -1.24 -4.84 118.68 117.19 1j8c s LEU 96 Ca 0.00 -1.50 0.08 0.00 0.02 0.00 0.00 54.13 52.73 1j8c s LEU 96 Cb 0.00 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.27 1j8c s LEU 96 CO 0.00 -0.84 -0.17 -0.89 0.02 0.00 0.00 176.35 174.47 1j8c s THR 97 N -2.82 2.86 0.02 5.49 2.01 -1.26 0.22 115.64 122.17 1j8c s THR 97 Ca 0.17 -1.31 0.01 0.00 0.31 0.00 0.00 61.69 60.87 1j8c s THR 97 Cb 0.02 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 1j8c s THR 97 CO 0.10 0.23 -0.03 0.54 -0.69 0.00 0.00 174.62 174.76 1j8c s VAL 98 N -1.03 0.19 -0.34 3.82 0.11 -0.89 -4.71 120.40 117.55 1j8c s VAL 98 Ca 0.16 -0.67 -0.21 0.00 -2.93 0.00 0.00 61.98 58.33 1j8c s VAL 98 Cb -0.11 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1j8c s VAL 98 CO 0.08 -0.31 0.65 -2.28 -3.33 0.00 0.00 175.10 169.90 1j8c s HIS 99 N -1.00 3.16 0.35 1.54 2.46 -1.09 -2.30 115.29 118.42 1j8c s HIS 99 Ca -0.10 0.42 -0.19 0.00 0.47 0.00 0.00 55.06 55.66 1j8c s HIS 99 Cb -0.07 -3.13 -0.10 0.00 -0.13 0.00 0.00 32.58 29.15 1j8c s HIS 99 CO -0.00 -0.60 0.85 -1.17 -2.47 0.00 0.00 174.74 171.34 1j8c s LEU 100 N 2.72 4.08 -0.29 8.88 0.20 -0.88 0.69 118.68 134.09 1j8c s LEU 100 Ca 0.25 1.53 -0.21 0.00 0.69 0.00 0.00 54.13 56.39 1j8c s LEU 100 Cb -0.14 -4.20 0.13 0.00 -0.43 0.00 0.00 46.19 41.55 1j8c s LEU 100 CO 0.14 -0.22 1.00 0.54 -0.29 0.00 0.00 176.35 177.52 1j8c s VAL 101 N -1.96 0.00 0.09 1.68 0.11 -0.66 -4.87 120.40 114.80 1j8c s VAL 101 Ca 0.55 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.35 1j8c s VAL 101 Cb -0.12 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.67 1j8c s VAL 101 CO 0.17 0.00 0.80 0.27 -3.33 0.00 0.00 175.10 173.01 1j8c s ILE 102 N 0.74 4.58 -1.17 7.04 -0.00 -1.26 -2.68 121.20 128.45 1j8c s ILE 102 Ca -0.02 1.72 0.09 0.00 -0.00 0.00 0.00 60.65 62.44 1j8c s ILE 102 Cb -0.04 -4.15 0.07 0.00 -0.00 0.00 0.00 42.46 38.34 1j8c s ILE 102 CO -0.11 0.41 0.80 1.17 -0.00 0.00 0.00 174.94 177.21