#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 2.99 -0.91 3.04 0.00 -1.26 -5.11 120.51 119.27 1j8c n ALA 2 Ca 0.00 -3.88 0.11 0.00 0.00 0.00 0.00 53.44 49.66 1j8c n ALA 2 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1j8c n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j8c n GLU 3 N 0.45 -1.59 -3.66 0.00 2.13 -1.26 -4.85 120.64 111.86 1j8c n GLU 3 Ca 0.26 1.05 -0.25 0.00 0.66 0.00 0.00 57.16 58.89 1j8c n GLU 3 Cb 0.54 -1.94 0.04 0.00 0.27 0.00 0.00 31.44 30.34 1j8c n GLU 3 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j8c n ASN 4 N -4.19 -3.42 -2.81 4.31 5.15 -1.26 -4.88 115.26 108.17 1j8c n ASN 4 Ca 0.01 -0.90 -0.38 0.00 -0.60 0.00 0.00 54.58 52.71 1j8c n ASN 4 Cb 0.36 -3.86 0.04 0.00 -0.53 0.00 0.00 39.78 35.79 1j8c n ASN 4 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j8c n GLY 5 N -1.61 5.62 3.28 8.20 0.00 -1.26 -4.99 105.19 114.43 1j8c n GLY 5 Ca -0.19 -2.50 -0.18 0.00 0.00 0.00 0.00 46.02 43.15 1j8c n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j8c n GLU 6 N -0.57 0.38 0.08 1.61 -0.58 -1.26 -5.06 120.64 115.25 1j8c n GLU 6 Ca 0.53 -2.49 0.00 0.00 -0.42 0.00 0.00 57.16 54.78 1j8c n GLU 6 Cb 0.33 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 1j8c n GLU 6 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1j8c n SER 7 N -2.64 -0.90 -4.27 1.62 7.64 -1.26 -5.03 113.62 108.78 1j8c n SER 7 Ca 0.14 0.30 -0.44 0.00 1.01 0.00 0.00 58.87 59.88 1j8c n SER 7 Cb 0.50 1.01 -0.04 0.00 -1.01 0.00 0.00 64.21 64.67 1j8c n SER 7 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j8c s SER 8 N -3.66 6.32 0.00 6.43 0.15 -1.26 -5.04 113.70 116.63 1j8c s SER 8 Ca 0.00 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 54.08 1j8c s SER 8 Cb 0.00 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1j8c s SER 8 CO 0.00 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1j8c n GLY 9 N 4.09 0.99 3.77 9.45 0.00 -1.26 -5.00 105.19 117.24 1j8c n GLY 9 Ca 0.08 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 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 0.34 4.03 0.69 1.61 0.04 -1.26 -5.04 135.00 135.41 1j8c s PRO 10 Ca 0.00 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 1j8c s PRO 10 Cb 0.00 -2.56 0.17 0.00 0.04 0.00 0.00 34.50 32.15 1j8c s PRO 10 CO 0.00 -0.30 0.70 -0.35 0.04 0.00 0.00 177.00 177.09 1j8c n PRO 11 N -0.11 -1.81 -2.75 0.56 -0.04 -1.26 -5.06 135.00 124.52 1j8c n PRO 11 Ca 0.05 -1.11 -0.05 0.00 -0.04 0.00 0.00 63.50 62.35 1j8c n PRO 11 Cb 0.48 -0.93 0.03 0.00 -0.04 0.00 0.00 33.50 33.04 1j8c n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1j8c n ARG 12 N -3.25 0.57 -2.18 0.54 0.63 -1.26 -5.09 116.66 106.62 1j8c n ARG 12 Ca 0.09 -1.77 -0.35 0.00 -0.92 0.00 0.00 57.85 54.90 1j8c n ARG 12 Cb 0.35 -1.29 -0.04 0.00 0.45 0.00 0.00 32.46 31.94 1j8c n ARG 12 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1j8c s PRO 13 N 0.79 2.81 -0.17 -0.14 0.04 -1.26 -4.76 135.00 132.30 1j8c s PRO 13 Ca 0.30 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.33 1j8c s PRO 13 Cb 0.10 -4.69 -0.22 0.00 0.04 0.00 0.00 34.50 29.72 1j8c s PRO 13 CO -0.12 -2.79 0.16 0.45 0.04 0.00 0.00 177.00 174.74 1j8c n SER 14 N 12.17 1.67 -2.90 6.66 2.88 -1.26 -5.06 113.62 127.78 1j8c n SER 14 Ca 0.26 0.09 -0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1j8c n SER 14 Cb 0.50 -0.39 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -3.26 -2.31 0.00 -1.46 0.63 -1.26 -5.01 116.66 103.98 1j8c n ARG 15 Ca -0.35 2.05 0.00 0.00 -0.92 0.00 0.00 57.85 58.63 1j8c n ARG 15 Cb 1.04 -3.71 0.00 0.00 0.45 0.00 0.00 32.46 30.24 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j8c n GLY 16 N 0.97 0.33 0.18 5.14 0.00 -1.26 -4.96 105.19 105.58 1j8c n GLY 16 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.56 -4.32 1.61 0.13 -2.07 -3.36 132.00 124.55 1j8c h PRO 17 Ca 0.00 -0.47 -0.74 0.00 -0.87 0.00 0.00 66.00 63.92 1j8c h PRO 17 Cb 0.00 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.07 1j8c h PRO 17 CO 0.00 1.09 1.71 0.00 -0.23 0.00 0.00 178.00 180.57 1j8c n ALA 18 N -2.56 4.46 -2.51 -0.56 0.00 -1.26 -4.98 120.51 113.10 1j8c n ALA 18 Ca -0.08 -4.24 -0.20 0.00 0.00 0.00 0.00 53.44 48.92 1j8c n ALA 18 Cb 0.63 -3.07 -0.02 0.00 0.00 0.00 0.00 19.45 16.99 1j8c n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c s ALA 19 N 1.31 4.05 -0.04 0.00 0.00 -1.26 -4.86 121.76 120.97 1j8c s ALA 19 Ca 0.42 -1.53 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 1j8c s ALA 19 Cb 0.03 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1j8c s ALA 19 CO 0.01 0.00 0.56 0.00 0.00 0.00 0.00 175.76 176.33 1j8c s ALA 20 N -2.22 3.49 0.07 0.00 0.00 -1.26 -4.96 121.76 116.88 1j8c s ALA 20 Ca 0.43 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.44 1j8c s ALA 20 Cb -0.08 -2.71 -0.20 0.00 0.00 0.00 0.00 23.12 20.14 1j8c s ALA 20 CO 0.29 0.13 1.19 0.37 0.00 0.00 0.00 175.76 177.74 1j8c h GLN 21 N 5.91 0.00 0.00 0.00 4.15 -2.02 -3.48 115.11 119.68 1j8c h GLN 21 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1j8c h GLN 21 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1j8c h GLN 21 CO 0.71 0.88 0.00 0.41 -1.93 0.00 0.00 178.83 178.90 1j8c n GLY 22 N 1.38 5.42 2.72 2.39 0.00 -1.26 -5.15 105.19 110.68 1j8c n GLY 22 Ca -0.03 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 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 1.00 1.72 0.52 1.61 0.01 -1.26 -5.11 113.70 112.19 1j8c s SER 23 Ca 0.00 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1j8c s SER 23 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1j8c s SER 23 CO 0.00 -0.35 0.00 0.00 0.41 0.00 0.00 173.24 173.30 1j8c n ALA 24 N 5.31 -3.70 -2.90 1.44 0.00 -1.26 -4.97 120.51 114.42 1j8c n ALA 24 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1j8c n ALA 24 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.80 -3.52 0.31 0.00 0.00 -1.26 -5.14 121.76 108.34 1j8c s ALA 25 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1j8c s ALA 25 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1j8c s ALA 25 CO 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 175.76 173.38 1j8c n ALA 26 N 3.72 -3.39 -1.01 0.00 0.00 -1.26 -3.65 120.51 114.91 1j8c n ALA 26 Ca 0.09 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.65 1j8c n ALA 26 Cb 0.61 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 1j8c n ALA 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j8c n PRO 27 N -3.57 2.15 -3.63 0.00 -0.04 -1.26 -4.75 135.00 123.90 1j8c n PRO 27 Ca -0.01 -1.76 -0.11 0.00 -0.04 0.00 0.00 63.50 61.59 1j8c n PRO 27 Cb 0.64 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1j8c n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c s ALA 28 N 3.74 -1.92 0.16 0.55 0.00 -1.24 -5.06 121.76 117.99 1j8c s ALA 28 Ca 0.49 1.91 0.08 0.00 0.00 0.00 0.00 51.96 54.44 1j8c s ALA 28 Cb 0.13 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1j8c s ALA 28 CO 0.00 -0.27 -0.06 -2.00 0.00 0.00 0.00 175.76 173.43 1j8c s GLU 29 N 0.25 2.19 0.00 0.00 2.12 -1.26 -4.59 118.70 117.41 1j8c s GLU 29 Ca 0.02 -1.16 -0.01 0.00 0.36 0.00 0.00 54.97 54.18 1j8c s GLU 29 Cb -0.05 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1j8c s GLU 29 CO -0.04 0.46 2.11 -0.35 -0.54 0.00 0.00 175.26 176.90 1j8c n PRO 30 N 0.12 1.08 -1.13 4.30 -0.04 -1.26 -4.12 135.00 133.95 1j8c n PRO 30 Ca -0.11 -0.12 -0.37 0.00 -0.04 0.00 0.00 63.50 62.86 1j8c n PRO 30 Cb 0.55 -1.14 -0.04 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 1.64 1.93 -1.67 0.54 4.76 -1.26 -4.79 118.16 119.31 1j8c n LYS 31 Ca 0.05 -1.86 -0.44 0.00 -2.87 0.00 0.00 58.31 53.18 1j8c n LYS 31 Cb 0.53 -2.84 -0.04 0.00 -1.84 0.00 0.00 35.03 30.84 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 5.31 0.71 -4.15 -0.18 -0.00 -1.26 -2.10 119.36 117.69 1j8c n ILE 32 Ca 0.50 -0.13 -0.22 0.00 -0.00 0.00 0.00 62.75 62.90 1j8c n ILE 32 Cb 0.32 -2.17 -0.05 0.00 -0.00 0.00 0.00 39.64 37.75 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 4.34 4.23 0.11 1.39 -4.36 -0.52 -4.86 121.20 121.53 1j8c s ILE 33 Ca 0.90 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 59.67 1j8c s ILE 33 Cb -0.52 -3.27 -0.06 0.00 1.25 0.00 0.00 42.46 39.85 1j8c s ILE 33 CO 0.45 -0.34 0.49 -0.54 0.24 0.00 0.00 174.94 175.25 1j8c s LYS 34 N -3.74 3.92 -0.17 0.37 -0.14 -1.26 -2.64 119.74 116.07 1j8c s LYS 34 Ca 0.32 0.40 -0.02 0.00 -1.36 0.00 0.00 55.97 55.32 1j8c s LYS 34 Cb -0.08 -3.00 0.05 0.00 -1.68 0.00 0.00 37.83 33.12 1j8c s LYS 34 CO 0.24 0.54 -0.01 0.08 -0.76 0.00 0.00 175.35 175.44 1j8c s VAL 35 N -1.38 0.79 -0.35 3.17 1.01 -0.31 -1.72 120.40 121.61 1j8c s VAL 35 Ca 0.34 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1j8c s VAL 35 Cb -0.15 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1j8c s VAL 35 CO 0.18 -0.02 0.32 -0.89 0.00 0.00 0.00 175.10 174.70 1j8c s THR 36 N 1.76 5.21 -0.19 3.92 2.01 -0.93 0.85 115.64 128.27 1j8c s THR 36 Ca 0.00 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 1j8c s THR 36 Cb -0.16 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1j8c s THR 36 CO -0.07 -0.10 0.06 -0.69 -0.69 0.00 0.00 174.62 173.13 1j8c s VAL 37 N 1.91 4.65 -0.23 3.82 1.01 -0.66 -2.35 120.40 128.54 1j8c s VAL 37 Ca 0.09 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 1j8c s VAL 37 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1j8c s VAL 37 CO 0.11 0.44 0.48 -0.54 0.00 0.00 0.00 175.10 175.59 1j8c s LYS 38 N 0.62 4.13 0.42 2.72 1.02 -0.50 -2.69 119.74 125.45 1j8c s LYS 38 Ca 0.03 0.30 0.05 0.00 0.02 0.00 0.00 55.97 56.37 1j8c s LYS 38 Cb -0.13 -3.60 -0.06 0.00 -0.52 0.00 0.00 37.83 33.52 1j8c s LYS 38 CO 0.01 -0.21 0.02 0.95 -0.92 0.00 0.00 175.35 175.21 1j8c s THR 39 N 1.84 1.59 -1.17 2.17 -4.23 -0.60 -1.66 115.64 113.58 1j8c s THR 39 Ca 0.21 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.85 1j8c s THR 39 Cb -0.15 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 71.11 1j8c s THR 39 CO 0.09 0.00 1.38 -0.81 -0.54 0.00 0.00 174.62 174.74 1j8c n PRO 40 N -0.99 0.07 -0.13 3.99 -0.04 -1.26 -3.32 135.00 133.33 1j8c n PRO 40 Ca -0.08 0.23 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 1j8c n PRO 40 Cb 0.67 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.41 0.54 -0.25 0.54 3.00 -1.26 -5.11 118.16 114.21 1j8c n LYS 41 Ca 0.04 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1j8c n LYS 41 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.75 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 -4.17 0.00 -5.08 1.64 1.02 -1.21 -5.16 120.64 107.68 1j8c n GLU 42 Ca -0.49 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.33 1j8c n GLU 42 Cb 0.84 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 32.11 1j8c n GLU 42 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1j8c s LYS 43 N 0.51 2.65 -0.02 3.49 -2.85 -1.26 -1.56 119.74 120.70 1j8c s LYS 43 Ca 0.00 -0.81 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 1j8c s LYS 43 Cb 0.00 -2.29 0.01 0.00 -2.06 0.00 0.00 37.83 33.49 1j8c s LYS 43 CO 0.00 0.43 -0.05 -2.00 0.10 0.00 0.00 175.35 173.83 1j8c s GLU 44 N -0.26 0.58 0.13 1.78 2.12 -1.10 -4.98 118.70 116.97 1j8c s GLU 44 Ca 0.00 -0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.07 1j8c s GLU 44 Cb -0.13 -0.59 -0.06 0.00 0.26 0.00 0.00 34.13 33.60 1j8c s GLU 44 CO 0.03 0.03 0.48 -1.21 -0.54 0.00 0.00 175.26 174.05 1j8c s GLU 45 N 0.33 3.86 -0.10 4.30 8.01 -1.26 -1.66 118.70 132.19 1j8c s GLU 45 Ca -0.04 0.32 0.01 0.00 0.01 0.00 0.00 54.97 55.27 1j8c s GLU 45 Cb -0.08 -2.92 0.02 0.00 -4.31 0.00 0.00 34.13 26.84 1j8c s GLU 45 CO -0.00 0.49 -0.11 -0.06 0.01 0.00 0.00 175.26 175.59 1j8c s PHE 46 N -1.48 1.58 -0.12 1.61 0.08 0.25 -4.87 117.98 115.03 1j8c s PHE 46 Ca 0.37 -0.71 -0.19 0.00 0.12 0.00 0.00 56.93 56.51 1j8c s PHE 46 Cb -0.14 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1j8c s PHE 46 CO 0.19 -0.42 0.52 0.00 -0.10 0.00 0.00 175.22 175.41 1j8c s ALA 47 N 1.16 3.46 0.04 5.36 0.00 -1.26 -1.16 121.76 129.36 1j8c s ALA 47 Ca -0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.71 1j8c s ALA 47 Cb -0.14 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1j8c s ALA 47 CO -0.03 -0.08 0.08 0.14 0.00 0.00 0.00 175.76 175.88 1j8c s VAL 48 N 0.80 0.14 -0.05 0.00 -7.23 -1.08 -4.97 120.40 108.01 1j8c s VAL 48 Ca 0.28 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 1j8c s VAL 48 Cb -0.16 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 1j8c s VAL 48 CO 0.11 -0.66 1.48 -2.16 -0.31 0.00 0.00 175.10 173.57 1j8c s PRO 49 N -2.82 4.23 0.09 4.82 0.04 -1.26 -1.44 135.00 138.65 1j8c s PRO 49 Ca -0.03 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 1j8c s PRO 49 Cb 0.00 -3.77 0.17 0.00 0.04 0.00 0.00 34.50 30.94 1j8c s PRO 49 CO -0.06 -0.71 0.46 -1.91 0.04 0.00 0.00 177.00 174.82 1j8c n GLU 50 N 6.30 -0.03 -1.39 4.56 0.00 -0.89 0.12 120.64 129.32 1j8c n GLU 50 Ca 0.15 0.45 -0.25 0.00 0.00 0.00 0.00 57.16 57.51 1j8c n GLU 50 Cb 0.43 -0.68 -0.08 0.00 0.00 0.00 0.00 31.44 31.10 1j8c n GLU 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1j8c n ASN 51 N -4.37 6.50 -4.30 4.31 6.94 -1.26 -4.45 115.26 118.63 1j8c n ASN 51 Ca 0.06 -2.91 -0.38 0.00 -0.02 0.00 0.00 54.58 51.33 1j8c n ASN 51 Cb 0.18 -1.34 -0.12 0.00 -2.36 0.00 0.00 39.78 36.13 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 1.05 5.26 0.46 0.53 0.15 0.32 -5.07 113.70 116.38 1j8c s SER 52 Ca 0.62 -1.01 -0.24 0.00 0.70 0.00 0.00 55.95 56.02 1j8c s SER 52 Cb 0.32 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.68 1j8c s SER 52 CO -0.12 -0.29 1.32 -0.44 1.20 0.00 0.00 173.24 174.91 1j8c s SER 53 N 1.43 5.94 0.39 5.45 0.01 -1.26 -4.46 113.70 121.20 1j8c s SER 53 Ca -0.00 2.68 0.06 0.00 1.31 0.00 0.00 55.95 60.00 1j8c s SER 53 Cb -0.19 -2.64 0.80 0.00 0.21 0.00 0.00 66.02 64.20 1j8c s SER 53 CO 0.03 -1.11 2.02 0.58 0.41 0.00 0.00 173.24 175.17 1j8c h VAL 54 N 2.09 1.08 -0.81 3.43 2.07 -1.79 -2.54 116.25 119.77 1j8c h VAL 54 Ca -0.50 -0.23 0.19 0.00 0.82 0.00 0.00 66.70 66.98 1j8c h VAL 54 Cb 1.26 0.37 -0.12 0.00 -1.52 0.00 0.00 31.29 31.28 1j8c h VAL 54 CO 0.61 0.12 0.26 1.56 0.02 0.00 0.00 177.57 180.14 1j8c h GLN 55 N 0.66 0.31 -0.01 1.57 4.20 -1.90 1.15 115.11 121.08 1j8c h GLN 55 Ca 0.22 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1j8c h GLN 55 Cb 0.06 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1j8c h GLN 55 CO -0.06 0.20 -0.01 0.37 -0.67 0.00 0.00 178.83 178.67 1j8c h GLN 56 N 0.32 0.02 -0.61 1.46 4.15 -1.83 -2.94 115.11 115.68 1j8c h GLN 56 Ca 0.48 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.85 1j8c h GLN 56 Cb 0.87 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 1j8c h GLN 56 CO -0.53 0.48 0.20 0.35 -1.93 0.00 0.00 178.83 177.40 1j8c h PHE 57 N -0.43 0.92 -0.97 3.99 3.57 -1.20 -2.52 116.94 120.29 1j8c h PHE 57 Ca 0.00 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.48 1j8c h PHE 57 Cb 0.48 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1j8c h PHE 57 CO 0.09 0.73 0.63 -0.22 -2.23 0.00 0.00 178.31 177.31 1j8c h LYS 58 N 0.88 1.15 0.00 1.11 3.64 0.13 -0.34 116.57 123.14 1j8c h LYS 58 Ca 0.20 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1j8c h LYS 58 Cb 0.23 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1j8c h LYS 58 CO -0.01 0.76 -0.21 1.49 -2.27 0.00 0.00 179.45 179.21 1j8c h GLU 59 N 1.18 0.00 -0.41 1.90 4.81 -1.28 -3.12 114.58 117.67 1j8c h GLU 59 Ca 0.40 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.53 1j8c h GLU 59 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1j8c h GLU 59 CO -0.14 0.21 -0.16 0.00 -0.73 0.00 0.00 179.01 178.19 1j8c h ALA 60 N 1.79 0.57 -0.27 2.92 0.00 -0.75 -2.98 119.26 120.54 1j8c h ALA 60 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1j8c h ALA 60 Cb 0.83 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1j8c h ALA 60 CO 0.03 0.49 -0.25 0.97 0.00 0.00 0.00 179.25 180.49 1j8c h ILE 61 N 0.64 1.27 -0.63 0.00 2.10 -1.44 -3.00 117.51 116.44 1j8c h ILE 61 Ca 0.10 -1.27 0.02 0.00 1.08 0.00 0.00 64.86 64.78 1j8c h ILE 61 Cb 0.70 1.33 -0.03 0.00 -1.09 0.00 0.00 36.82 37.73 1j8c h ILE 61 CO 0.05 0.41 0.40 0.77 -1.08 0.00 0.00 178.15 178.70 1j8c h SER 62 N 0.46 0.68 -0.10 2.19 4.64 -1.47 0.62 113.55 120.56 1j8c h SER 62 Ca 0.07 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1j8c h SER 62 Cb 0.67 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1j8c h SER 62 CO 0.05 0.48 0.02 0.11 -0.87 0.00 0.00 176.83 176.62 1j8c h LYS 63 N 0.81 0.06 0.14 4.77 6.56 -1.39 1.44 116.57 128.95 1j8c h LYS 63 Ca 0.24 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.82 1j8c h LYS 63 Cb -0.05 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1j8c h LYS 63 CO -0.07 0.04 -0.07 -0.09 -2.06 0.00 0.00 179.45 177.20 1j8c h ARG 64 N 0.06 -0.18 -0.38 3.15 2.43 -1.50 -3.28 114.38 114.69 1j8c h ARG 64 Ca 0.05 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1j8c h ARG 64 Cb 0.04 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1j8c h ARG 64 CO -0.07 0.26 -0.21 0.74 -1.51 0.00 0.00 179.97 179.18 1j8c h PHE 65 N -0.74 0.83 -4.85 2.20 0.04 -0.89 -3.48 116.94 110.04 1j8c h PHE 65 Ca -0.02 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1j8c h PHE 65 Cb 0.53 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1j8c h PHE 65 CO 0.08 0.88 -0.39 1.17 -0.60 0.00 0.00 178.31 179.46 1j8c n LYS 66 N -4.12 -1.90 0.18 1.51 4.81 0.49 -4.99 118.16 114.14 1j8c n LYS 66 Ca 0.00 1.80 0.00 0.00 -0.87 0.00 0.00 58.31 59.24 1j8c n LYS 66 Cb 0.42 -4.91 0.00 0.00 0.02 0.00 0.00 35.03 30.56 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 -0.39 -2.75 -0.51 3.14 2.88 -1.25 -5.07 113.62 109.66 1j8c n SER 67 Ca 0.09 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1j8c n SER 67 Cb 0.38 2.67 0.00 0.00 -0.75 0.00 0.00 64.21 66.51 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 -3.28 0.00 0.00 -1.46 10.64 -1.26 -5.09 117.38 116.92 1j8c n GLN 68 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1j8c n GLN 68 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1j8c n GLN 68 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1j8c n THR 69 N 0.00 0.00 0.35 -0.39 -1.04 -1.26 -4.40 114.28 107.54 1j8c n THR 69 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1j8c n THR 69 Cb 0.00 -0.05 -0.08 0.00 -1.82 0.00 0.00 70.33 68.39 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 -0.93 0.77 8.00 1.82 -1.98 -2.86 116.42 121.23 1j8c h ASP 70 Ca 0.00 0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.62 1j8c h ASP 70 Cb 0.00 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1j8c h ASP 70 CO 0.00 -0.59 -0.31 1.56 -1.61 0.00 0.00 179.24 178.29 1j8c h GLN 71 N -0.94 0.00 -5.50 0.28 4.20 -1.93 -3.42 115.11 107.80 1j8c h GLN 71 Ca -0.09 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.15 1j8c h GLN 71 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1j8c h GLN 71 CO 0.10 0.31 1.66 -0.11 -0.67 0.00 0.00 178.83 180.12 1j8c n LEU 72 N -3.55 1.92 -4.49 1.46 0.00 -1.08 -2.90 117.00 108.36 1j8c n LEU 72 Ca -0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 56.01 55.42 1j8c n LEU 72 Cb 0.45 -1.45 -0.11 0.00 0.00 0.00 0.00 43.42 42.32 1j8c n LEU 72 CO 0.35 -1.38 -0.32 -0.69 0.00 0.00 0.00 177.39 175.36 1j8c s VAL 73 N 11.47 1.63 -0.16 1.96 1.01 -1.03 -4.88 120.40 130.40 1j8c s VAL 73 Ca 1.06 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1j8c s VAL 73 Cb -0.41 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1j8c s VAL 73 CO 0.31 -0.12 -0.13 -0.76 0.00 0.00 0.00 175.10 174.40 1j8c s LEU 74 N -3.53 1.81 -0.59 3.92 1.02 -1.08 -1.67 118.68 118.55 1j8c s LEU 74 Ca 0.33 -0.57 -0.26 0.00 0.02 0.00 0.00 54.13 53.65 1j8c s LEU 74 Cb 0.07 -1.19 0.04 0.00 0.02 0.00 0.00 46.19 45.12 1j8c s LEU 74 CO 0.15 -0.07 1.09 -0.51 0.02 0.00 0.00 176.35 177.03 1j8c s ILE 75 N 1.47 4.14 -0.07 -0.59 1.10 0.83 0.16 121.20 128.24 1j8c s ILE 75 Ca 0.04 0.53 0.04 0.00 -0.51 0.00 0.00 60.65 60.74 1j8c s ILE 75 Cb -0.14 -4.68 -0.02 0.00 0.15 0.00 0.00 42.46 37.78 1j8c s ILE 75 CO -0.10 -1.33 -0.18 0.12 -2.11 0.00 0.00 174.94 171.35 1j8c s PHE 76 N 4.61 2.64 -1.19 3.50 5.36 -1.04 -2.69 117.98 129.17 1j8c s PHE 76 Ca 0.36 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1j8c s PHE 76 Cb -0.10 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 1j8c s PHE 76 CO 0.21 -0.03 0.00 0.00 -1.46 0.00 0.00 175.22 173.93 1j8c n ALA 77 N 2.79 -0.58 -1.55 11.12 0.00 -1.26 0.47 120.51 131.50 1j8c n ALA 77 Ca -0.17 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1j8c n ALA 77 Cb 0.52 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.63 0.49 0.00 0.00 0.00 -1.26 -5.02 105.19 98.77 1j8c n GLY 78 Ca -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.24 1.45 -3.48 1.61 4.01 0.18 -5.08 118.16 114.61 1j8c n LYS 79 Ca -0.05 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.34 1j8c n LYS 79 Cb 0.32 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.81 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 -1.25 5.16 -0.76 -0.18 -5.25 -1.26 -2.49 121.20 115.16 1j8c s ILE 80 Ca 0.00 -3.43 -0.26 0.00 -0.99 0.00 0.00 60.65 55.98 1j8c s ILE 80 Cb 0.00 -4.16 -0.10 0.00 2.95 0.00 0.00 42.46 41.15 1j8c s ILE 80 CO 0.00 -1.10 2.27 -0.22 -1.79 0.00 0.00 174.94 174.10 1j8c s LEU 81 N -1.01 3.03 0.00 0.37 0.20 0.43 -4.62 118.68 117.08 1j8c s LEU 81 Ca 0.27 0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.13 1j8c s LEU 81 Cb -0.10 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.12 1j8c s LEU 81 CO -0.09 -3.40 0.00 1.17 -0.29 0.00 0.00 176.35 173.74 1j8c n LYS 82 N 8.88 0.00 0.23 1.98 4.81 -1.26 -2.65 118.16 130.15 1j8c n LYS 82 Ca 0.42 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 58.02 1j8c n LYS 82 Cb 0.46 0.00 0.56 0.00 0.02 0.00 0.00 35.03 36.07 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 2.03 -1.87 -3.02 116.42 115.96 1j8c h ASP 83 Ca 0.00 0.00 0.17 0.00 -0.73 0.00 0.00 57.03 56.47 1j8c h ASP 83 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 1j8c h ASP 83 CO 0.00 0.00 0.50 -0.61 -1.03 0.00 0.00 179.24 178.10 1j8c h GLN 84 N 0.00 0.26 -3.83 4.15 5.75 -1.95 -3.44 115.11 116.06 1j8c h GLN 84 Ca 0.00 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 1j8c h GLN 84 Cb 0.56 -0.06 -0.13 0.00 1.07 0.00 0.00 27.48 28.93 1j8c h GLN 84 CO 0.00 0.17 -0.31 -0.51 -2.65 0.00 0.00 178.83 175.53 1j8c s ASP 85 N -5.93 0.04 0.46 -0.69 1.01 -1.14 -5.16 116.67 105.25 1j8c s ASP 85 Ca -0.07 -0.78 -0.06 0.00 0.71 0.00 0.00 52.55 52.35 1j8c s ASP 85 Cb 0.21 0.42 -0.04 0.00 1.01 0.00 0.00 42.92 44.51 1j8c s ASP 85 CO 0.76 -0.85 0.78 0.42 0.21 0.00 0.00 175.17 176.48 1j8c s THR 86 N -3.93 4.89 0.07 -1.27 -4.23 -1.26 -4.49 115.64 105.42 1j8c s THR 86 Ca 0.13 0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.73 1j8c s THR 86 Cb 0.04 -3.83 -0.10 0.00 1.34 0.00 0.00 72.50 69.94 1j8c s THR 86 CO -0.03 -0.76 1.50 -0.07 -0.54 0.00 0.00 174.62 174.71 1j8c h LEU 87 N 0.49 0.37 -1.88 4.79 4.07 -1.88 -1.79 115.31 119.48 1j8c h LEU 87 Ca -0.47 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.17 1j8c h LEU 87 Cb 1.20 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1j8c h LEU 87 CO 0.62 0.60 0.00 0.16 -1.08 0.00 0.00 178.44 178.74 1j8c h ILE 88 N 0.13 0.00 0.00 1.22 3.07 -1.78 0.13 117.51 120.27 1j8c h ILE 88 Ca 0.06 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.34 1j8c h ILE 88 Cb 0.41 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 37.88 1j8c h ILE 88 CO 0.01 0.00 -1.08 1.67 -1.05 0.00 0.00 178.15 177.70 1j8c n GLN 89 N -2.69 0.34 0.00 0.16 7.27 -0.90 -4.88 117.38 116.68 1j8c n GLN 89 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1j8c n GLN 89 Cb 0.12 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.16 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 -2.05 0.00 0.02 3.69 -0.00 -0.52 -4.93 115.22 111.44 1j8c n HIS 90 Ca 0.01 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.08 1j8c n HIS 90 Cb 0.45 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.27 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 0.02 -3.07 1.57 0.00 -0.79 -3.45 103.07 97.35 1j8c h GLY 91 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1j8c h GLY 91 CO 0.00 -0.03 -0.14 -0.26 0.00 0.00 0.00 176.54 176.11 1j8c s ILE 92 N -6.19 0.08 -0.08 2.60 -5.25 0.32 -4.89 121.20 107.79 1j8c s ILE 92 Ca -0.13 -0.73 0.09 0.00 -0.99 0.00 0.00 60.65 58.89 1j8c s ILE 92 Cb 0.07 -1.24 -0.13 0.00 2.95 0.00 0.00 42.46 44.12 1j8c s ILE 92 CO 0.67 -0.38 0.07 1.41 -1.79 0.00 0.00 174.94 174.92 1j8c n HIS 93 N -0.20 0.00 -2.13 1.37 8.25 -1.26 -3.78 115.22 117.47 1j8c n HIS 93 Ca -0.15 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1j8c n HIS 93 Cb 0.63 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.28 -0.06 0.00 0.41 2.03 -1.26 -4.96 116.55 110.43 1j8c n ASP 94 Ca -0.14 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1j8c n ASP 94 Cb 0.73 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 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 -0.04 0.68 3.90 0.27 0.00 -0.70 -4.40 105.19 104.89 1j8c n GLY 95 Ca -0.01 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 3.15 -0.13 0.99 2.01 -1.26 -4.87 118.68 118.58 1j8c s LEU 96 Ca 0.00 -0.91 -0.01 0.00 0.01 0.00 0.00 54.13 53.21 1j8c s LEU 96 Cb 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 46.19 44.44 1j8c s LEU 96 CO 0.00 -0.85 -0.09 0.42 1.01 0.00 0.00 176.35 176.84 1j8c s THR 97 N -2.58 3.43 0.09 5.49 -4.23 -1.26 -2.18 115.64 114.39 1j8c s THR 97 Ca 0.45 -0.53 0.07 0.00 -1.18 0.00 0.00 61.69 60.50 1j8c s THR 97 Cb -0.03 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1j8c s THR 97 CO 0.27 0.52 -0.18 0.68 -0.54 0.00 0.00 174.62 175.37 1j8c s VAL 98 N 0.26 1.47 -0.05 2.29 -7.23 -0.99 -4.90 120.40 111.25 1j8c s VAL 98 Ca -0.06 -1.47 -0.19 0.00 -1.81 0.00 0.00 61.98 58.45 1j8c s VAL 98 Cb -0.15 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1j8c s VAL 98 CO 0.04 -0.15 0.52 -1.00 -0.31 0.00 0.00 175.10 174.20 1j8c s HIS 99 N -1.27 3.62 0.02 2.82 3.76 -1.10 -1.40 115.29 121.74 1j8c s HIS 99 Ca 0.04 1.04 -0.23 0.00 -0.15 0.00 0.00 55.06 55.76 1j8c s HIS 99 Cb -0.10 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 31.01 1j8c s HIS 99 CO 0.03 0.32 0.68 -1.17 -0.85 0.00 0.00 174.74 173.75 1j8c s LEU 100 N 0.00 4.43 -0.15 0.89 0.20 -0.67 -0.12 118.68 123.26 1j8c s LEU 100 Ca 0.28 1.29 -0.07 0.00 0.69 0.00 0.00 54.13 56.32 1j8c s LEU 100 Cb -0.17 -3.07 0.06 0.00 -0.43 0.00 0.00 46.19 42.59 1j8c s LEU 100 CO 0.14 0.06 0.34 0.54 -0.29 0.00 0.00 176.35 177.13 1j8c s VAL 101 N -0.11 -0.24 -0.15 1.68 0.11 -0.67 -4.92 120.40 116.10 1j8c s VAL 101 Ca 0.35 0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.43 1j8c s VAL 101 Cb -0.19 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 1j8c s VAL 101 CO 0.20 0.07 0.28 0.27 -3.33 0.00 0.00 175.10 172.59 1j8c s ILE 102 N 1.84 5.30 -0.76 7.04 -5.25 -1.26 -2.45 121.20 125.66 1j8c s ILE 102 Ca -0.06 0.52 0.06 0.00 -0.99 0.00 0.00 60.65 60.19 1j8c s ILE 102 Cb -0.10 -3.61 0.05 0.00 2.95 0.00 0.00 42.46 41.74 1j8c s ILE 102 CO -0.11 0.43 0.69 1.17 -1.79 0.00 0.00 174.94 175.33