#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 0.00 -4.23 3.04 0.00 -1.26 -5.14 120.51 112.93 1j8c n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1j8c n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1j8c n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1j8c n GLU 3 N 0.00 0.70 -4.42 0.00 0.28 -1.26 -5.16 120.64 110.78 1j8c n GLU 3 Ca 0.00 -3.59 -0.21 0.00 -0.16 0.00 0.00 57.16 53.20 1j8c n GLU 3 Cb 0.00 0.61 -0.10 0.00 1.43 0.00 0.00 31.44 33.38 1j8c n GLU 3 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1j8c s ASN 4 N -4.10 2.39 0.00 -1.84 -0.87 -1.26 -5.04 114.94 104.22 1j8c s ASN 4 Ca 0.19 -1.30 0.00 0.00 -1.57 0.00 0.00 52.86 50.18 1j8c s ASN 4 Cb -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 41.25 41.12 1j8c s ASN 4 CO 0.12 -0.52 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 1j8c n GLY 5 N -0.61 0.00 2.39 0.66 0.00 -1.26 -5.09 105.19 101.28 1j8c n GLY 5 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.71 0.07 1.61 -0.58 -1.26 -4.89 120.64 117.30 1j8c n GLU 6 Ca 0.00 -3.93 0.00 0.00 -0.42 0.00 0.00 57.16 52.81 1j8c n GLU 6 Cb 0.00 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.08 1j8c n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1j8c n SER 7 N 0.69 -0.07 -4.64 1.62 3.41 -1.26 -5.05 113.62 108.32 1j8c n SER 7 Ca 0.26 0.25 -0.43 0.00 -0.26 0.00 0.00 58.87 58.69 1j8c n SER 7 Cb 0.50 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1j8c n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1j8c s SER 8 N -4.54 6.88 -0.25 4.04 0.01 -1.26 -4.98 113.70 113.59 1j8c s SER 8 Ca 0.00 1.31 -0.03 0.00 1.31 0.00 0.00 55.95 58.54 1j8c s SER 8 Cb 0.00 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.79 1j8c s SER 8 CO 0.00 -0.88 0.19 -0.83 0.41 0.00 0.00 173.24 172.13 1j8c s GLY 9 N 2.04 0.18 -0.30 3.44 0.00 -1.26 -5.10 107.32 106.32 1j8c s GLY 9 Ca 0.51 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 1j8c s GLY 9 CO 0.16 2.20 1.53 2.56 0.00 0.00 0.00 173.10 179.55 1j8c s PRO 10 N 2.23 3.69 0.86 2.90 0.04 -1.26 -5.00 135.00 138.47 1j8c s PRO 10 Ca 0.08 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 1j8c s PRO 10 Cb -0.15 -4.03 0.11 0.00 0.04 0.00 0.00 34.50 30.47 1j8c s PRO 10 CO -0.26 -1.42 1.10 -1.25 0.04 0.00 0.00 177.00 175.21 1j8c s PRO 11 N 4.79 1.54 0.08 0.56 0.04 -1.26 -5.08 135.00 135.68 1j8c s PRO 11 Ca 0.67 0.69 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1j8c s PRO 11 Cb -0.20 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1j8c s PRO 11 CO 0.29 -2.01 -0.06 -0.98 0.04 0.00 0.00 177.00 174.29 1j8c s ARG 12 N -5.05 0.73 0.93 4.56 1.70 -1.26 -5.15 118.95 115.40 1j8c s ARG 12 Ca 0.62 -1.20 -0.12 0.00 -0.47 0.00 0.00 55.73 54.56 1j8c s ARG 12 Cb -0.16 -0.12 0.15 0.00 -0.57 0.00 0.00 34.95 34.25 1j8c s ARG 12 CO 0.56 -0.03 1.12 -1.25 -1.08 0.00 0.00 175.30 174.61 1j8c s PRO 13 N -3.45 0.99 -0.16 3.89 0.04 -1.26 -5.08 135.00 129.96 1j8c s PRO 13 Ca 0.07 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1j8c s PRO 13 Cb 0.03 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.87 1j8c s PRO 13 CO -0.05 -2.33 0.88 0.45 0.04 0.00 0.00 177.00 175.99 1j8c s SER 14 N -3.79 -0.51 -0.42 6.66 0.15 -1.26 -5.11 113.70 109.41 1j8c s SER 14 Ca 0.64 0.69 0.05 0.00 0.70 0.00 0.00 55.95 58.03 1j8c s SER 14 Cb -0.16 0.60 0.19 0.00 -1.71 0.00 0.00 66.02 64.94 1j8c s SER 14 CO 0.55 -0.38 0.43 0.54 1.20 0.00 0.00 173.24 175.59 1j8c n ARG 15 N 1.25 0.33 0.00 5.44 3.00 -1.26 -5.03 116.66 120.40 1j8c n ARG 15 Ca -0.14 -3.00 0.00 0.00 -0.01 0.00 0.00 57.85 54.71 1j8c n ARG 15 Cb 0.57 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.47 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 2.58 -0.02 3.58 -0.13 0.00 -1.26 -4.86 105.19 105.07 1j8c n GLY 16 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1j8c n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j8c s PRO 17 N 0.00 3.24 0.07 1.61 0.04 -1.26 -4.87 135.00 133.84 1j8c s PRO 17 Ca 0.00 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 1j8c s PRO 17 Cb 0.00 -4.16 -0.24 0.00 0.04 0.00 0.00 34.50 30.14 1j8c s PRO 17 CO 0.00 -1.99 1.18 0.00 0.04 0.00 0.00 177.00 176.23 1j8c h ALA 18 N 11.99 0.12 -2.99 8.56 0.00 -1.89 -3.48 119.26 131.57 1j8c h ALA 18 Ca -0.28 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1j8c h ALA 18 Cb 1.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1j8c h ALA 18 CO 1.14 0.67 0.00 0.00 0.00 0.00 0.00 179.25 181.06 1j8c n ALA 19 N -2.65 0.00 -1.91 0.00 0.00 -1.26 -5.03 120.51 109.65 1j8c n ALA 19 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 1j8c n ALA 19 Cb 0.88 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.94 1.37 -0.15 0.00 0.00 -1.26 -4.82 121.76 114.96 1j8c s ALA 20 Ca 0.00 -1.74 -0.27 0.00 0.00 0.00 0.00 51.96 49.95 1j8c s ALA 20 Cb 0.00 -4.65 0.07 0.00 0.00 0.00 0.00 23.12 18.54 1j8c s ALA 20 CO 0.00 -5.60 0.67 -1.14 0.00 0.00 0.00 175.76 169.70 1j8c s GLN 21 N 7.26 0.92 0.00 0.00 -0.44 -1.26 -5.15 119.66 120.99 1j8c s GLN 21 Ca 0.74 0.59 0.00 0.00 -2.50 0.00 0.00 55.36 54.19 1j8c s GLN 21 Cb -0.04 0.44 0.00 0.00 -1.64 0.00 0.00 33.01 31.77 1j8c s GLN 21 CO 0.11 -0.21 0.00 0.41 0.50 0.00 0.00 175.29 176.10 1j8c n GLY 22 N 1.80 1.39 0.14 2.59 0.00 -1.26 -4.87 105.19 104.98 1j8c n GLY 22 Ca -0.17 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1j8c n GLY 22 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j8c h SER 23 N 0.00 0.76 -0.12 1.61 0.02 -2.03 -3.43 113.55 110.36 1j8c h SER 23 Ca 0.00 -0.88 -0.24 0.00 -0.84 0.00 0.00 61.79 59.83 1j8c h SER 23 Cb 0.00 -0.25 -0.16 0.00 0.14 0.00 0.00 62.40 62.13 1j8c h SER 23 CO 0.00 1.70 -0.51 0.00 -1.14 0.00 0.00 176.83 176.88 1j8c n ALA 24 N -2.74 -1.01 -0.00 3.77 0.00 -1.26 -5.04 120.51 114.24 1j8c n ALA 24 Ca -0.18 -1.53 -0.00 0.00 0.00 0.00 0.00 53.44 51.72 1j8c n ALA 24 Cb 1.09 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 1j8c n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c h ALA 25 N 3.66 -0.08 -3.32 0.00 0.00 -1.97 -3.43 119.26 114.12 1j8c h ALA 25 Ca -0.12 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.15 1j8c h ALA 25 Cb 1.05 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 1j8c h ALA 25 CO 0.27 -0.08 -0.70 0.00 0.00 0.00 0.00 179.25 178.75 1j8c s ALA 26 N -2.95 2.68 0.00 0.00 0.00 -1.26 -5.02 121.76 115.21 1j8c s ALA 26 Ca -0.00 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.24 1j8c s ALA 26 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1j8c s ALA 26 CO 0.01 -1.91 0.14 -0.35 0.00 0.00 0.00 175.76 173.65 1j8c n PRO 27 N 3.72 0.00 -3.84 0.00 -0.04 -1.26 -5.07 135.00 128.51 1j8c n PRO 27 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1j8c n PRO 27 Cb 0.36 -0.53 0.01 0.00 -0.04 0.00 0.00 33.50 33.30 1j8c n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8c s ALA 28 N -3.13 -1.60 -0.03 0.55 0.00 -1.26 -5.16 121.76 111.13 1j8c s ALA 28 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1j8c s ALA 28 Cb 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1j8c s ALA 28 CO 0.00 -1.06 -0.09 -1.21 0.00 0.00 0.00 175.76 173.40 1j8c s GLU 29 N -2.48 2.57 0.00 0.00 2.02 -1.26 -5.09 118.70 114.47 1j8c s GLU 29 Ca 0.19 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1j8c s GLU 29 Cb -0.02 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1j8c s GLU 29 CO 0.04 0.62 0.00 -0.35 0.02 0.00 0.00 175.26 175.60 1j8c n PRO 30 N 1.91 0.00 -4.25 0.39 -0.04 -1.26 -4.55 135.00 127.21 1j8c n PRO 30 Ca -0.17 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 1j8c n PRO 30 Cb 0.53 -0.09 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 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 -2.06 -1.63 0.54 5.02 -1.26 -2.73 118.16 116.04 1j8c n LYS 31 Ca 0.00 0.26 -0.44 0.00 -2.02 0.00 0.00 58.31 56.11 1j8c n LYS 31 Cb 0.00 -4.91 -0.04 0.00 -0.02 0.00 0.00 35.03 30.06 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1j8c n ILE 32 N -4.13 0.55 -2.47 -0.18 -0.00 -1.26 -2.45 119.36 109.41 1j8c n ILE 32 Ca 0.09 -0.26 -0.25 0.00 -0.00 0.00 0.00 62.75 62.33 1j8c n ILE 32 Cb 0.47 -2.29 0.04 0.00 -0.00 0.00 0.00 39.64 37.87 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 6.00 3.29 0.11 1.39 -4.36 0.55 -4.74 121.20 123.44 1j8c s ILE 33 Ca 0.95 -0.21 -0.13 0.00 -0.26 0.00 0.00 60.65 61.00 1j8c s ILE 33 Cb -0.47 -3.30 -0.06 0.00 1.25 0.00 0.00 42.46 39.87 1j8c s ILE 33 CO 0.42 -0.29 0.50 -0.54 0.24 0.00 0.00 174.94 175.27 1j8c s LYS 34 N -4.95 3.93 -0.15 0.37 1.02 -1.26 -2.70 119.74 116.00 1j8c s LYS 34 Ca 0.55 0.42 -0.02 0.00 0.02 0.00 0.00 55.97 56.93 1j8c s LYS 34 Cb -0.10 -2.99 0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1j8c s LYS 34 CO 0.43 0.53 0.02 0.08 -0.92 0.00 0.00 175.35 175.49 1j8c s VAL 35 N -1.39 0.50 -0.44 3.17 1.01 -0.47 -1.71 120.40 121.07 1j8c s VAL 35 Ca 0.35 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1j8c s VAL 35 Cb -0.15 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1j8c s VAL 35 CO 0.18 -0.04 0.33 -0.89 0.00 0.00 0.00 175.10 174.68 1j8c s THR 36 N 1.89 4.95 -0.16 3.92 2.01 -1.00 0.10 115.64 127.35 1j8c s THR 36 Ca 0.01 -1.05 -0.15 0.00 0.31 0.00 0.00 61.69 60.81 1j8c s THR 36 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1j8c s THR 36 CO -0.07 -0.48 0.35 -0.69 -0.69 0.00 0.00 174.62 173.03 1j8c s VAL 37 N 1.59 5.27 -0.24 3.82 1.01 -0.67 -2.02 120.40 129.17 1j8c s VAL 37 Ca 0.04 0.66 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 1j8c s VAL 37 Cb -0.23 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1j8c s VAL 37 CO 0.06 0.36 0.30 -0.75 0.00 0.00 0.00 175.10 175.07 1j8c s LYS 38 N 0.62 4.08 0.39 2.72 2.20 -0.49 -2.63 119.74 126.62 1j8c s LYS 38 Ca 0.19 -0.03 0.07 0.00 -0.36 0.00 0.00 55.97 55.84 1j8c s LYS 38 Cb -0.14 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.52 1j8c s LYS 38 CO 0.06 -0.10 0.00 0.95 -0.36 0.00 0.00 175.35 175.90 1j8c s THR 39 N 1.52 1.90 -0.72 3.43 -4.23 -0.71 -2.05 115.64 114.78 1j8c s THR 39 Ca 0.13 -2.03 0.17 0.00 -1.18 0.00 0.00 61.69 58.79 1j8c s THR 39 Cb -0.15 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 70.94 1j8c s THR 39 CO 0.08 -0.03 1.54 -0.81 -0.54 0.00 0.00 174.62 174.86 1j8c n PRO 40 N -0.90 0.09 -0.11 3.99 -0.04 -1.26 -3.15 135.00 133.62 1j8c n PRO 40 Ca -0.05 0.38 -0.24 0.00 -0.04 0.00 0.00 63.50 63.55 1j8c n PRO 40 Cb 0.66 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.87 0.60 -0.89 0.54 0.00 -1.26 -5.09 118.16 110.19 1j8c n LYS 41 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1j8c n LYS 41 Cb 0.17 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.56 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 -4.18 0.00 -4.89 1.64 1.02 -1.19 -5.15 120.64 107.90 1j8c n GLU 42 Ca -0.42 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.40 1j8c n GLU 42 Cb 0.82 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 32.09 1j8c n GLU 42 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1j8c s LYS 43 N -0.67 3.25 -0.02 3.49 2.20 -1.26 -1.73 119.74 124.99 1j8c s LYS 43 Ca 0.00 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 1j8c s LYS 43 Cb 0.00 -2.54 0.01 0.00 -1.51 0.00 0.00 37.83 33.79 1j8c s LYS 43 CO 0.00 0.23 -0.07 -1.21 -0.36 0.00 0.00 175.35 173.95 1j8c s GLU 44 N 0.28 0.79 0.27 4.03 8.01 -1.08 -5.01 118.70 125.99 1j8c s GLU 44 Ca -0.11 -0.22 -0.06 0.00 0.01 0.00 0.00 54.97 54.59 1j8c s GLU 44 Cb -0.16 -0.76 -0.06 0.00 -4.31 0.00 0.00 34.13 28.84 1j8c s GLU 44 CO 0.06 0.06 0.55 -1.21 0.01 0.00 0.00 175.26 174.73 1j8c s GLU 45 N 0.31 3.66 -0.03 1.61 2.02 -1.26 -1.66 118.70 123.34 1j8c s GLU 45 Ca -0.04 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.01 1j8c s GLU 45 Cb -0.09 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.52 1j8c s GLU 45 CO 0.00 0.24 -0.01 -0.06 0.02 0.00 0.00 175.26 175.45 1j8c s PHE 46 N -2.02 0.44 -0.17 1.61 0.08 0.29 -4.93 117.98 113.27 1j8c s PHE 46 Ca 0.44 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 57.25 1j8c s PHE 46 Cb -0.11 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1j8c s PHE 46 CO 0.28 -0.15 0.49 0.00 -0.10 0.00 0.00 175.22 175.74 1j8c s ALA 47 N 1.02 3.52 0.02 5.36 0.00 -1.26 -1.36 121.76 129.05 1j8c s ALA 47 Ca -0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1j8c s ALA 47 Cb -0.14 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1j8c s ALA 47 CO -0.01 -0.26 0.09 0.14 0.00 0.00 0.00 175.76 175.71 1j8c s VAL 48 N 1.23 0.10 -0.00 0.00 -7.23 -1.10 -4.98 120.40 108.42 1j8c s VAL 48 Ca 0.24 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1j8c s VAL 48 Cb -0.15 -0.51 -0.06 0.00 0.56 0.00 0.00 36.38 36.21 1j8c s VAL 48 CO 0.10 -0.47 1.57 -2.16 -0.31 0.00 0.00 175.10 173.83 1j8c s PRO 49 N -1.72 4.22 0.20 4.82 0.04 -1.26 -0.33 135.00 140.96 1j8c s PRO 49 Ca -0.13 2.16 0.12 0.00 0.04 0.00 0.00 61.00 63.19 1j8c s PRO 49 Cb -0.07 -3.74 0.73 0.00 0.04 0.00 0.00 34.50 31.46 1j8c s PRO 49 CO -0.01 -0.73 0.84 -0.85 0.04 0.00 0.00 177.00 176.30 1j8c n GLU 50 N 6.12 -0.03 -1.49 4.56 0.28 -1.03 0.53 120.64 129.58 1j8c n GLU 50 Ca 0.16 0.73 -0.27 0.00 -0.16 0.00 0.00 57.16 57.62 1j8c n GLU 50 Cb 0.42 -1.33 -0.05 0.00 1.43 0.00 0.00 31.44 31.92 1j8c n GLU 50 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1j8c n ASN 51 N -4.18 6.54 -4.25 -1.84 0.23 -1.26 -4.38 115.26 106.12 1j8c n ASN 51 Ca 0.20 -3.24 -0.36 0.00 -0.53 0.00 0.00 54.58 50.65 1j8c n ASN 51 Cb 0.70 -1.21 -0.13 0.00 -2.08 0.00 0.00 39.78 37.05 1j8c n ASN 51 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1j8c s SER 52 N 0.25 5.04 0.51 0.53 1.04 0.19 -5.04 113.70 116.21 1j8c s SER 52 Ca 0.58 -1.07 -0.23 0.00 0.48 0.00 0.00 55.95 55.70 1j8c s SER 52 Cb 0.38 -1.80 -0.06 0.00 0.10 0.00 0.00 66.02 64.64 1j8c s SER 52 CO -0.23 -0.26 1.40 -1.20 0.98 0.00 0.00 173.24 173.94 1j8c n SER 53 N 4.75 3.02 -0.01 7.02 7.64 -1.26 -4.49 113.62 130.29 1j8c n SER 53 Ca -0.13 1.04 0.03 0.00 1.01 0.00 0.00 58.87 60.82 1j8c n SER 53 Cb 0.45 -1.60 0.40 0.00 -1.01 0.00 0.00 64.21 62.46 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 1.82 1.12 -0.54 0.44 2.07 -1.79 -2.89 116.25 116.48 1j8c h VAL 54 Ca -0.51 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 66.84 1j8c h VAL 54 Cb 1.29 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 31.51 1j8c h VAL 54 CO 0.59 0.13 -0.15 1.56 0.02 0.00 0.00 177.57 179.71 1j8c h GLN 55 N 0.56 -0.02 0.05 1.57 1.08 -1.89 1.28 115.11 117.73 1j8c h GLN 55 Ca 0.15 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1j8c h GLN 55 Cb -0.01 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1j8c h GLN 55 CO -0.03 -0.01 -0.02 1.96 -0.95 0.00 0.00 178.83 179.78 1j8c h GLN 56 N -0.02 -0.06 -0.64 1.46 4.20 -1.89 -2.91 115.11 115.25 1j8c h GLN 56 Ca 0.26 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.99 1j8c h GLN 56 Cb 0.42 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1j8c h GLN 56 CO -0.57 0.24 0.43 0.35 -0.67 0.00 0.00 178.83 178.61 1j8c h PHE 57 N -0.36 0.79 -0.89 2.96 3.57 -1.30 -1.65 116.94 120.08 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 0.32 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 1j8c h PHE 57 CO 0.02 0.49 0.58 0.87 -2.23 0.00 0.00 178.31 178.04 1j8c h LYS 58 N 0.85 0.98 0.00 1.11 1.57 0.18 -0.63 116.57 120.62 1j8c h LYS 58 Ca 0.24 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1j8c h LYS 58 Cb -0.06 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1j8c h LYS 58 CO -0.06 0.65 -0.23 1.49 -0.57 0.00 0.00 179.45 180.73 1j8c h GLU 59 N 1.01 0.00 -0.45 3.15 4.57 -1.14 -3.30 114.58 118.41 1j8c h GLU 59 Ca 0.38 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.46 1j8c h GLU 59 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1j8c h GLU 59 CO -0.14 0.03 -0.12 0.00 -1.18 0.00 0.00 179.01 177.61 1j8c h ALA 60 N 1.97 0.62 -0.00 2.92 0.00 -0.35 -2.74 119.26 121.68 1j8c h ALA 60 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1j8c h ALA 60 Cb 1.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j8c h ALA 60 CO 0.00 0.52 -0.03 0.97 0.00 0.00 0.00 179.25 180.72 1j8c h ILE 61 N 0.71 1.02 -0.59 0.00 2.10 -1.56 -2.40 117.51 116.81 1j8c h ILE 61 Ca 0.11 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1j8c h ILE 61 Cb 0.66 1.06 -0.03 0.00 -1.09 0.00 0.00 36.82 37.42 1j8c h ILE 61 CO 0.05 0.03 0.37 -1.28 -1.08 0.00 0.00 178.15 176.24 1j8c h SER 62 N 0.00 0.69 -0.15 2.19 0.87 -1.61 -0.18 113.55 115.36 1j8c h SER 62 Ca 0.00 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1j8c h SER 62 Cb 0.06 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1j8c h SER 62 CO 0.00 0.53 -0.09 0.50 -0.53 0.00 0.00 176.83 177.24 1j8c h LYS 63 N 0.79 -0.09 0.12 2.24 3.11 -1.47 1.51 116.57 122.78 1j8c h LYS 63 Ca 0.21 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1j8c h LYS 63 Cb -0.05 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1j8c h LYS 63 CO -0.04 -0.06 -0.06 0.00 -2.81 0.00 0.00 179.45 176.48 1j8c h ARG 64 N -0.09 -0.15 -0.43 1.90 2.47 -1.58 -3.26 114.38 113.24 1j8c h ARG 64 Ca 0.09 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.74 1j8c h ARG 64 Cb 0.22 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1j8c h ARG 64 CO -0.21 0.31 -0.06 0.74 0.56 0.00 0.00 179.97 181.31 1j8c h PHE 65 N -0.72 0.78 -4.30 3.04 0.04 -0.99 -3.47 116.94 111.32 1j8c h PHE 65 Ca -0.02 -0.12 -0.15 0.00 2.80 0.00 0.00 57.97 60.48 1j8c h PHE 65 Cb 0.53 -0.21 0.11 0.00 2.20 0.00 0.00 35.95 38.58 1j8c h PHE 65 CO 0.09 0.76 -0.47 1.17 -0.60 0.00 0.00 178.31 179.26 1j8c n LYS 66 N -4.20 -1.81 0.00 1.51 4.81 0.51 -5.05 118.16 113.94 1j8c n LYS 66 Ca 0.02 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1j8c n LYS 66 Cb 0.32 -4.03 0.00 0.00 0.02 0.00 0.00 35.03 31.34 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 -2.41 0.08 -4.97 3.14 2.88 -1.24 -5.07 113.62 106.04 1j8c n SER 67 Ca -0.07 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.26 1j8c n SER 67 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1j8c n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j8c s GLN 68 N 1.59 3.40 0.00 -1.46 -2.07 -1.26 -4.96 119.66 114.90 1j8c s GLN 68 Ca 0.00 -0.74 -0.01 0.00 -1.82 0.00 0.00 55.36 52.79 1j8c s GLN 68 Cb 0.00 -2.85 -0.00 0.00 -1.09 0.00 0.00 33.01 29.07 1j8c s GLN 68 CO 0.00 0.34 -0.03 2.41 -1.32 0.00 0.00 175.29 176.69 1j8c n THR 69 N -1.49 0.30 0.00 3.63 -1.04 -1.26 -4.85 114.28 109.57 1j8c n THR 69 Ca -0.07 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1j8c n THR 69 Cb 0.57 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1j8c n THR 69 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j8c n ASP 70 N -2.80 0.00 -0.05 8.00 2.03 -1.26 0.31 116.55 122.78 1j8c n ASP 70 Ca -0.01 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.15 1j8c n ASP 70 Cb 0.04 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.31 1j8c n ASP 70 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1j8c h GLN 71 N 0.00 0.04 -5.35 -0.67 7.50 -1.96 -3.49 115.11 111.18 1j8c h GLN 71 Ca 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 1j8c h GLN 71 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1j8c h GLN 71 CO 0.00 0.99 -0.81 -0.11 -1.50 0.00 0.00 178.83 177.39 1j8c n LEU 72 N -4.57 -2.86 -4.03 1.46 -0.00 0.15 -4.93 117.00 102.22 1j8c n LEU 72 Ca -0.10 0.31 -0.13 0.00 -0.00 0.00 0.00 56.01 56.09 1j8c n LEU 72 Cb 0.50 -1.27 -0.12 0.00 -0.00 0.00 0.00 43.42 42.53 1j8c n LEU 72 CO 0.36 -1.12 -0.40 0.54 -0.00 0.00 0.00 177.39 176.77 1j8c s VAL 73 N -0.82 0.47 0.00 1.96 0.11 -1.08 -4.90 120.40 116.16 1j8c s VAL 73 Ca 0.01 -0.83 0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1j8c s VAL 73 Cb -0.00 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1j8c s VAL 73 CO 0.01 -0.25 -0.21 -0.76 -3.33 0.00 0.00 175.10 170.57 1j8c s LEU 74 N -1.17 2.42 -0.60 2.54 1.02 -1.09 -1.33 118.68 120.46 1j8c s LEU 74 Ca -0.07 -0.41 -0.20 0.00 0.02 0.00 0.00 54.13 53.47 1j8c s LEU 74 Cb -0.08 -1.44 0.09 0.00 0.02 0.00 0.00 46.19 44.78 1j8c s LEU 74 CO 0.00 0.30 0.77 -0.63 0.02 0.00 0.00 176.35 176.81 1j8c s ILE 75 N -0.77 4.68 -1.21 -0.59 -1.09 0.30 0.12 121.20 122.64 1j8c s ILE 75 Ca 0.12 -0.76 -0.20 0.00 -2.23 0.00 0.00 60.65 57.58 1j8c s ILE 75 Cb -0.10 -4.53 -0.02 0.00 -1.58 0.00 0.00 42.46 36.23 1j8c s ILE 75 CO 0.02 -1.19 1.88 0.33 -1.23 0.00 0.00 174.94 174.75 1j8c n PHE 76 N 6.70 3.47 -1.81 3.97 7.35 -0.96 -2.68 117.46 133.50 1j8c n PHE 76 Ca -0.08 -2.15 -0.17 0.00 -0.76 0.00 0.00 57.45 54.30 1j8c n PHE 76 Cb 0.44 -2.54 -0.05 0.00 0.35 0.00 0.00 39.48 37.68 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 10.76 -0.41 0.00 3.13 0.00 -1.26 -1.91 120.51 130.82 1j8c n ALA 77 Ca 0.47 0.22 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1j8c n ALA 77 Cb 0.45 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.52 4.01 0.00 0.00 0.00 -1.26 -5.11 105.19 102.31 1j8c n GLY 78 Ca -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.11 -3.88 1.61 4.76 -0.81 -4.98 118.16 114.97 1j8c n LYS 79 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1j8c n LYS 79 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 1j8c n LYS 79 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1j8c s ILE 80 N -0.48 2.32 -0.95 -0.18 -5.25 -1.26 -2.26 121.20 113.13 1j8c s ILE 80 Ca 0.00 -3.26 -0.25 0.00 -0.99 0.00 0.00 60.65 56.15 1j8c s ILE 80 Cb 0.00 -2.60 -0.11 0.00 2.95 0.00 0.00 42.46 42.69 1j8c s ILE 80 CO 0.00 -0.85 2.11 -0.22 -1.79 0.00 0.00 174.94 174.19 1j8c s LEU 81 N -0.29 2.91 0.00 0.37 0.20 0.33 -4.63 118.68 117.57 1j8c s LEU 81 Ca 0.18 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.31 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 -0.02 -3.51 0.00 1.17 -0.29 0.00 0.00 176.35 173.69 1j8c n LYS 82 N 8.62 0.00 0.24 1.98 4.81 -1.26 -2.68 118.16 129.87 1j8c n LYS 82 Ca 0.43 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.01 1j8c n LYS 82 Cb 0.46 0.00 0.51 0.00 0.02 0.00 0.00 35.03 36.01 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 -0.62 3.14 2.03 -1.86 -3.03 116.42 116.07 1j8c h ASP 83 Ca 0.00 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 56.42 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 0.10 0.42 -0.61 -1.03 0.00 0.00 179.24 178.12 1j8c h GLN 84 N 0.00 0.31 -3.85 4.15 4.15 -1.95 -3.43 115.11 114.49 1j8c h GLN 84 Ca -0.00 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 1j8c h GLN 84 Cb 0.70 -0.07 -0.16 0.00 0.21 0.00 0.00 27.48 28.16 1j8c h GLN 84 CO 0.01 0.21 -0.49 -0.51 -1.93 0.00 0.00 178.83 176.12 1j8c s ASP 85 N -6.16 0.20 0.56 -0.69 1.11 -1.15 -5.15 116.67 105.39 1j8c s ASP 85 Ca -0.07 -0.62 -0.07 0.00 0.18 0.00 0.00 52.55 51.96 1j8c s ASP 85 Cb 0.20 0.26 -0.02 0.00 1.07 0.00 0.00 42.92 44.43 1j8c s ASP 85 CO 0.75 -0.59 0.89 0.42 1.18 0.00 0.00 175.17 177.82 1j8c s THR 86 N -3.17 4.40 0.09 -1.27 -4.23 -1.26 -4.33 115.64 105.88 1j8c s THR 86 Ca -0.00 0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 60.63 1j8c s THR 86 Cb 0.02 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.06 1j8c s THR 86 CO -0.07 -0.79 1.54 -0.07 -0.54 0.00 0.00 174.62 174.69 1j8c h LEU 87 N -0.07 0.44 -2.13 4.79 4.07 -1.87 -1.63 115.31 118.91 1j8c h LEU 87 Ca -0.46 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.21 1j8c h LEU 87 Cb 1.22 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1j8c h LEU 87 CO 0.62 0.63 0.00 0.16 -1.08 0.00 0.00 178.44 178.76 1j8c h ILE 88 N 0.24 0.00 0.00 1.22 3.07 -1.76 0.16 117.51 120.44 1j8c h ILE 88 Ca 0.08 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1j8c h ILE 88 Cb 0.39 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 1j8c h ILE 88 CO 0.01 0.00 -1.13 0.00 -1.05 0.00 0.00 178.15 175.98 1j8c n GLN 89 N -2.76 0.16 0.00 0.16 1.13 -0.87 -4.89 117.38 110.32 1j8c n GLN 89 Ca -0.02 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1j8c n GLN 89 Cb 0.10 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.71 0.00 0.02 1.08 8.25 -0.53 -4.91 115.22 117.41 1j8c n HIS 90 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1j8c n HIS 90 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 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 0.03 -2.95 -1.41 0.00 -0.78 -3.45 103.07 94.50 1j8c h GLY 91 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1j8c h GLY 91 CO 0.00 -0.04 -0.20 -0.26 0.00 0.00 0.00 176.54 176.04 1j8c s ILE 92 N -6.19 0.08 -0.04 2.60 -5.25 0.47 -4.92 121.20 107.94 1j8c s ILE 92 Ca -0.13 -0.97 0.08 0.00 -0.99 0.00 0.00 60.65 58.63 1j8c s ILE 92 Cb 0.07 -1.44 -0.12 0.00 2.95 0.00 0.00 42.46 43.93 1j8c s ILE 92 CO 0.67 -0.38 0.11 1.41 -1.79 0.00 0.00 174.94 174.96 1j8c n HIS 93 N -0.19 0.00 0.00 1.37 8.25 -1.26 -3.87 115.22 119.52 1j8c n HIS 93 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1j8c n HIS 93 Cb 0.63 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.02 0.00 0.00 0.41 5.68 -1.26 -4.97 116.55 114.39 1j8c n ASP 94 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1j8c n ASP 94 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.80 1.76 6.12 0.00 -0.70 -4.44 105.19 108.73 1j8c n GLY 95 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1j8c n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j8c n LEU 96 N 0.00 0.00 -4.45 0.99 7.94 -1.26 -4.86 117.00 115.36 1j8c n LEU 96 Ca 0.00 -1.33 -0.33 0.00 -1.11 0.00 0.00 56.01 53.24 1j8c n LEU 96 Cb 0.00 -0.02 -0.13 0.00 0.53 0.00 0.00 43.42 43.81 1j8c n LEU 96 CO 0.00 -0.40 -0.40 0.28 -1.11 0.00 0.00 177.39 175.76 1j8c s THR 97 N -1.27 3.49 0.12 1.96 -1.32 -1.26 -2.37 115.64 114.99 1j8c s THR 97 Ca 0.14 -0.51 0.07 0.00 -1.21 0.00 0.00 61.69 60.18 1j8c s THR 97 Cb -0.01 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1j8c s THR 97 CO 0.09 0.52 -0.16 0.68 -2.21 0.00 0.00 174.62 173.54 1j8c s VAL 98 N 0.18 1.47 0.13 5.08 -7.23 -0.86 -4.80 120.40 114.38 1j8c s VAL 98 Ca -0.05 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.29 1j8c s VAL 98 Cb -0.14 -1.56 -0.07 0.00 0.56 0.00 0.00 36.38 35.17 1j8c s VAL 98 CO 0.04 -0.32 0.54 -2.28 -0.31 0.00 0.00 175.10 172.76 1j8c s HIS 99 N -1.88 3.62 -0.04 2.82 2.46 -1.09 -1.40 115.29 119.77 1j8c s HIS 99 Ca 0.09 1.05 0.07 0.00 0.47 0.00 0.00 55.06 56.74 1j8c s HIS 99 Cb -0.06 -2.36 -0.01 0.00 -0.13 0.00 0.00 32.58 30.01 1j8c s HIS 99 CO 0.04 0.45 -0.25 -1.17 -2.47 0.00 0.00 174.74 171.35 1j8c s LEU 100 N -1.87 2.05 0.17 8.88 0.20 -0.87 0.11 118.68 127.35 1j8c s LEU 100 Ca 0.36 -0.48 -0.24 0.00 0.69 0.00 0.00 54.13 54.46 1j8c s LEU 100 Cb -0.15 -1.32 0.06 0.00 -0.43 0.00 0.00 46.19 44.35 1j8c s LEU 100 CO 0.19 0.26 0.94 0.54 -0.29 0.00 0.00 176.35 177.99 1j8c s VAL 101 N -0.30 0.00 -0.12 1.68 0.11 -0.45 -4.81 120.40 116.52 1j8c s VAL 101 Ca 0.01 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1j8c s VAL 101 Cb -0.12 -2.05 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 1j8c s VAL 101 CO 0.02 0.00 0.02 -0.51 -3.33 0.00 0.00 175.10 171.30 1j8c s ILE 102 N -3.27 4.46 -2.79 7.04 2.07 -1.26 -2.62 121.20 124.83 1j8c s ILE 102 Ca 0.13 -0.17 0.26 0.00 -1.41 0.00 0.00 60.65 59.45 1j8c s ILE 102 Cb -0.02 -2.93 0.34 0.00 0.13 0.00 0.00 42.46 39.99 1j8c s ILE 102 CO 0.03 0.56 1.47 0.29 -1.91 0.00 0.00 174.94 175.38