#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 3.11 0.26 3.04 0.00 -1.26 -5.09 121.76 121.82 1j8c s ALA 2 Ca 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 51.96 49.23 1j8c s ALA 2 Cb 0.00 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.97 1j8c s ALA 2 CO 0.00 -1.83 0.27 0.39 0.00 0.00 0.00 175.76 174.59 1j8c n GLU 3 N 4.01 0.98 -1.62 0.00 1.02 -1.26 -5.14 120.64 118.63 1j8c n GLU 3 Ca 0.03 -1.50 -0.03 0.00 -0.02 0.00 0.00 57.16 55.64 1j8c n GLU 3 Cb 0.39 0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1j8c n GLU 3 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j8c n ASN 4 N -2.29 0.88 0.00 1.62 3.02 -1.26 -5.04 115.26 112.18 1j8c n ASN 4 Ca 0.03 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1j8c n ASN 4 Cb 0.28 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1j8c n ASN 4 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j8c n GLY 5 N 4.00 0.35 2.28 7.41 0.00 -1.26 -5.15 105.19 112.81 1j8c n GLY 5 Ca 0.01 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 0.93 0.63 -2.56 1.61 1.02 -1.26 -5.09 120.64 115.92 1j8c n GLU 6 Ca 0.00 -2.35 -0.43 0.00 -0.02 0.00 0.00 57.16 54.36 1j8c n GLU 6 Cb 0.00 1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 32.76 1j8c n GLU 6 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1j8c s SER 7 N -2.70 6.63 -0.91 1.62 0.01 -1.26 -4.92 113.70 112.18 1j8c s SER 7 Ca 0.16 0.65 -0.26 0.00 1.31 0.00 0.00 55.95 57.81 1j8c s SER 7 Cb 0.01 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.56 1j8c s SER 7 CO 0.11 -1.22 2.21 -0.55 0.41 0.00 0.00 173.24 174.21 1j8c s SER 8 N 2.59 4.12 0.61 2.44 0.15 -1.26 -4.73 113.70 117.61 1j8c s SER 8 Ca 0.50 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1j8c s SER 8 Cb -0.09 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1j8c s SER 8 CO 0.29 -3.80 0.00 0.61 1.20 0.00 0.00 173.24 171.54 1j8c n GLY 9 N 6.60 -0.96 3.70 9.45 0.00 -1.26 -4.67 105.19 118.04 1j8c n GLY 9 Ca 0.44 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 4.36 0.03 1.61 0.04 -1.26 -4.94 135.00 134.84 1j8c s PRO 10 Ca 0.00 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 1j8c s PRO 10 Cb 0.00 -3.45 -0.18 0.00 0.04 0.00 0.00 34.50 30.90 1j8c s PRO 10 CO 0.00 -0.41 1.21 -1.00 0.04 0.00 0.00 177.00 176.85 1j8c h PRO 11 N 7.24 0.45 -3.57 0.56 0.13 -1.94 -3.45 132.00 131.42 1j8c h PRO 11 Ca -0.39 -0.37 -0.24 0.00 -0.87 0.00 0.00 66.00 64.14 1j8c h PRO 11 Cb 1.19 0.07 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 1j8c h PRO 11 CO 0.86 1.00 -0.68 1.03 -0.23 0.00 0.00 178.00 179.98 1j8c s ARG 12 N -3.67 0.03 -0.59 0.86 0.52 -1.26 -5.10 118.95 109.75 1j8c s ARG 12 Ca -0.13 0.12 -0.27 0.00 -0.52 0.00 0.00 55.73 54.92 1j8c s ARG 12 Cb 0.05 -0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.46 1j8c s ARG 12 CO 0.81 -0.06 1.59 -1.25 0.02 0.00 0.00 175.30 176.40 1j8c s PRO 13 N 0.39 3.05 -0.55 3.54 0.04 -1.26 -4.86 135.00 135.35 1j8c s PRO 13 Ca -0.03 0.49 0.01 0.00 0.04 0.00 0.00 61.00 61.51 1j8c s PRO 13 Cb -0.04 -4.23 0.53 0.00 0.04 0.00 0.00 34.50 30.79 1j8c s PRO 13 CO -0.01 -2.25 1.97 0.43 0.04 0.00 0.00 177.00 177.18 1j8c n SER 14 N 10.75 5.83 0.00 6.66 7.64 -1.26 -4.45 113.62 138.79 1j8c n SER 14 Ca 0.15 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1j8c n SER 14 Cb 0.50 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1j8c n SER 14 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j8c n ARG 15 N -0.95 0.00 0.00 1.43 5.12 -1.26 -5.10 116.66 115.90 1j8c n ARG 15 Ca 0.59 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 1j8c n ARG 15 Cb 1.11 -0.01 0.00 0.00 -1.16 0.00 0.00 32.46 32.39 1j8c n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j8c n GLY 16 N -1.37 0.77 3.56 -0.13 0.00 -1.26 -5.01 105.19 101.75 1j8c n GLY 16 Ca 0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.69 2.86 0.00 1.61 0.04 -1.26 -4.67 135.00 132.89 1j8c s PRO 17 Ca 0.00 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1j8c s PRO 17 Cb 0.00 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.76 1j8c s PRO 17 CO 0.00 -2.79 0.00 0.00 0.04 0.00 0.00 177.00 174.25 1j8c n ALA 18 N 11.99 2.01 -0.58 8.56 0.00 -1.26 -5.13 120.51 136.10 1j8c n ALA 18 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1j8c n ALA 18 Cb 0.50 0.00 0.00 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 -1.01 0.00 -2.38 0.00 0.00 -1.26 -4.99 120.51 110.86 1j8c n ALA 19 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1j8c n ALA 19 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1j8c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c n ALA 20 N -1.14 5.14 -2.17 0.00 0.00 -1.26 -5.00 120.51 116.09 1j8c n ALA 20 Ca 0.00 -4.24 -0.33 0.00 0.00 0.00 0.00 53.44 48.87 1j8c n ALA 20 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 1j8c n ALA 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1j8c s GLN 21 N -3.58 2.79 -0.24 0.00 -0.44 -1.26 -4.95 119.66 112.00 1j8c s GLN 21 Ca 0.49 -0.24 -0.10 0.00 -2.50 0.00 0.00 55.36 53.00 1j8c s GLN 21 Cb 0.40 -4.91 -0.05 0.00 -1.64 0.00 0.00 33.01 26.81 1j8c s GLN 21 CO -0.17 -2.95 0.15 0.20 0.50 0.00 0.00 175.29 173.02 1j8c s GLY 22 N 7.22 1.97 -0.03 2.59 0.00 -1.26 -4.94 107.32 112.88 1j8c s GLY 22 Ca 0.63 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 44.48 1j8c s GLY 22 CO 0.03 0.37 -0.01 -1.14 0.00 0.00 0.00 173.10 172.36 1j8c n SER 23 N 4.24 4.09 -4.24 1.64 3.41 -1.26 -4.92 113.62 116.58 1j8c n SER 23 Ca -0.15 -0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.04 1j8c n SER 23 Cb 0.52 0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 1j8c n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j8c s ALA 24 N -2.07 3.39 -0.20 7.33 0.00 -1.26 -5.06 121.76 123.89 1j8c s ALA 24 Ca -0.03 -2.42 -0.08 0.00 0.00 0.00 0.00 51.96 49.43 1j8c s ALA 24 Cb 0.01 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1j8c s ALA 24 CO 0.10 -1.84 0.09 0.00 0.00 0.00 0.00 175.76 174.11 1j8c s ALA 25 N 1.41 3.47 0.49 0.00 0.00 -1.26 -5.08 121.76 120.78 1j8c s ALA 25 Ca 0.05 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 1j8c s ALA 25 Cb -0.26 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1j8c s ALA 25 CO 0.01 0.06 1.19 0.00 0.00 0.00 0.00 175.76 177.01 1j8c s ALA 26 N 0.59 2.89 -0.98 0.00 0.00 -1.26 -4.89 121.76 118.11 1j8c s ALA 26 Ca 0.05 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 1j8c s ALA 26 Cb -0.13 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1j8c s ALA 26 CO 0.01 -0.80 1.79 -1.25 0.00 0.00 0.00 175.76 175.51 1j8c s PRO 27 N -2.84 2.92 -0.18 0.00 0.04 -1.26 -4.70 135.00 128.98 1j8c s PRO 27 Ca 0.67 -0.70 0.14 0.00 0.04 0.00 0.00 61.00 61.15 1j8c s PRO 27 Cb -0.30 -5.19 0.44 0.00 0.04 0.00 0.00 34.50 29.49 1j8c s PRO 27 CO 0.35 -3.04 1.20 0.00 0.04 0.00 0.00 177.00 175.55 1j8c n ALA 28 N 12.25 3.54 -2.59 8.56 0.00 -1.26 -5.02 120.51 135.98 1j8c n ALA 28 Ca 0.39 -3.14 -0.42 0.00 0.00 0.00 0.00 53.44 50.27 1j8c n ALA 28 Cb 0.48 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 1j8c n ALA 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1j8c s GLU 29 N -2.63 3.75 0.00 0.00 2.56 -1.26 -5.00 118.70 116.13 1j8c s GLU 29 Ca 0.39 0.31 0.00 0.00 0.00 0.00 0.00 54.97 55.66 1j8c s GLU 29 Cb 0.38 -3.81 0.00 0.00 2.00 0.00 0.00 34.13 32.70 1j8c s GLU 29 CO -0.07 -0.85 0.00 -0.35 -0.56 0.00 0.00 175.26 173.43 1j8c n PRO 30 N 6.41 0.00 -3.87 4.30 -0.04 -1.26 -4.48 135.00 136.06 1j8c n PRO 30 Ca 0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 1j8c n PRO 30 Cb 0.48 -0.14 -0.03 0.00 -0.04 0.00 0.00 33.50 33.77 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 -2.57 -1.63 0.54 5.02 -1.26 -2.51 118.16 115.75 1j8c n LYS 31 Ca 0.00 0.30 -0.44 0.00 -2.02 0.00 0.00 58.31 56.15 1j8c n LYS 31 Cb 0.00 -4.96 -0.04 0.00 -0.02 0.00 0.00 35.03 30.01 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 -3.96 0.57 -3.38 -0.18 -0.00 -1.26 -2.61 119.36 108.55 1j8c n ILE 32 Ca 0.06 -0.23 -0.26 0.00 -0.00 0.00 0.00 62.75 62.31 1j8c n ILE 32 Cb 0.49 -2.25 -0.02 0.00 -0.00 0.00 0.00 39.64 37.86 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 5.70 5.08 0.12 1.39 -4.36 0.06 -4.77 121.20 124.42 1j8c s ILE 33 Ca 0.95 -0.26 -0.13 0.00 -0.26 0.00 0.00 60.65 60.95 1j8c s ILE 33 Cb -0.49 -3.80 -0.06 0.00 1.25 0.00 0.00 42.46 39.35 1j8c s ILE 33 CO 0.43 -0.45 0.50 -0.54 0.24 0.00 0.00 174.94 175.12 1j8c s LYS 34 N -3.96 3.91 -0.16 0.37 -0.14 -1.26 -2.66 119.74 115.84 1j8c s LYS 34 Ca 0.41 0.39 -0.02 0.00 -1.36 0.00 0.00 55.97 55.40 1j8c s LYS 34 Cb -0.10 -2.98 0.05 0.00 -1.68 0.00 0.00 37.83 33.12 1j8c s LYS 34 CO 0.34 0.52 0.01 0.08 -0.76 0.00 0.00 175.35 175.53 1j8c s VAL 35 N -1.41 0.60 -0.48 3.17 1.01 -0.95 -1.93 120.40 120.41 1j8c s VAL 35 Ca 0.35 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 1j8c s VAL 35 Cb -0.15 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1j8c s VAL 35 CO 0.18 -0.01 0.79 -0.89 0.00 0.00 0.00 175.10 175.17 1j8c s THR 36 N 1.84 4.63 -0.21 3.92 2.01 -0.63 -0.30 115.64 126.89 1j8c s THR 36 Ca 0.01 0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 1j8c s THR 36 Cb -0.15 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 67.95 1j8c s THR 36 CO -0.07 -0.81 0.12 -0.69 -0.69 0.00 0.00 174.62 172.48 1j8c s VAL 37 N 3.33 5.22 -0.25 3.82 1.01 -1.07 -2.50 120.40 129.96 1j8c s VAL 37 Ca 0.28 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 1j8c s VAL 37 Cb -0.13 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1j8c s VAL 37 CO 0.20 0.41 0.23 -0.75 0.00 0.00 0.00 175.10 175.19 1j8c s LYS 38 N 0.65 4.03 0.33 2.72 2.36 -1.11 -2.63 119.74 126.10 1j8c s LYS 38 Ca 0.07 -0.19 0.09 0.00 -2.55 0.00 0.00 55.97 53.38 1j8c s LYS 38 Cb -0.12 -3.60 -0.06 0.00 -1.05 0.00 0.00 37.83 33.00 1j8c s LYS 38 CO 0.01 -0.08 -0.08 0.95 1.55 0.00 0.00 175.35 177.70 1j8c s THR 39 N 1.48 2.06 -0.92 3.43 -4.23 -1.08 -2.32 115.64 114.05 1j8c s THR 39 Ca 0.10 -2.18 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 1j8c s THR 39 Cb -0.15 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 1j8c s THR 39 CO 0.08 -0.22 2.11 -0.81 -0.54 0.00 0.00 174.62 175.24 1j8c n PRO 40 N -0.74 2.08 0.00 3.99 -0.04 -1.26 -3.04 135.00 135.99 1j8c n PRO 40 Ca -0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1j8c n PRO 40 Cb 0.64 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 4.40 0.00 -3.17 0.54 0.00 -1.26 -5.16 118.16 113.51 1j8c n LYS 41 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.76 1j8c n LYS 41 Cb 0.15 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 0.39 0.00 0.00 0.00 177.40 177.79 1j8c n GLU 42 N -1.60 0.34 -4.23 1.64 1.02 -1.17 -5.15 120.64 111.50 1j8c n GLU 42 Ca 0.00 -0.85 -0.34 0.00 -0.02 0.00 0.00 57.16 55.95 1j8c n GLU 42 Cb 0.00 1.20 -0.12 0.00 -0.02 0.00 0.00 31.44 32.50 1j8c n GLU 42 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1j8c s LYS 43 N -2.03 3.62 -0.10 3.49 3.01 -1.26 -2.64 119.74 123.83 1j8c s LYS 43 Ca 0.17 -0.53 -0.01 0.00 -1.01 0.00 0.00 55.97 54.59 1j8c s LYS 43 Cb -0.01 -2.99 0.03 0.00 -1.01 0.00 0.00 37.83 33.84 1j8c s LYS 43 CO 0.02 0.11 -0.06 -1.21 0.51 0.00 0.00 175.35 174.73 1j8c s GLU 44 N 0.72 1.30 0.32 1.68 2.02 -1.08 -5.01 118.70 118.65 1j8c s GLU 44 Ca -0.01 -0.16 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 1j8c s GLU 44 Cb -0.14 -1.43 -0.09 0.00 0.10 0.00 0.00 34.13 32.56 1j8c s GLU 44 CO 0.02 -0.28 0.83 -1.21 0.02 0.00 0.00 175.26 174.64 1j8c s GLU 45 N 1.77 4.25 -0.15 1.61 2.02 -1.26 -2.59 118.70 124.36 1j8c s GLU 45 Ca 0.05 0.97 0.01 0.00 0.02 0.00 0.00 54.97 56.02 1j8c s GLU 45 Cb -0.12 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.54 1j8c s GLU 45 CO -0.07 0.21 -0.16 -0.06 0.02 0.00 0.00 175.26 175.20 1j8c s PHE 46 N -1.81 2.25 -0.14 1.61 0.40 0.58 -4.91 117.98 115.95 1j8c s PHE 46 Ca 0.52 -1.24 -0.22 0.00 -0.60 0.00 0.00 56.93 55.39 1j8c s PHE 46 Cb -0.14 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1j8c s PHE 46 CO 0.19 -0.66 0.68 0.00 0.70 0.00 0.00 175.22 176.13 1j8c s ALA 47 N 1.35 3.46 0.01 5.36 0.00 -1.26 -2.24 121.76 128.44 1j8c s ALA 47 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1j8c s ALA 47 Cb -0.13 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1j8c s ALA 47 CO -0.09 -0.37 0.09 0.14 0.00 0.00 0.00 175.76 175.53 1j8c s VAL 48 N 1.46 0.09 0.00 0.00 -7.23 -1.09 -4.98 120.40 108.66 1j8c s VAL 48 Ca 0.33 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 1j8c s VAL 48 Cb -0.17 -0.42 -0.06 0.00 0.56 0.00 0.00 36.38 36.29 1j8c s VAL 48 CO 0.13 -0.43 1.56 -2.16 -0.31 0.00 0.00 175.10 173.90 1j8c s PRO 49 N -1.50 4.22 0.12 4.82 0.04 -1.26 -0.76 135.00 140.68 1j8c s PRO 49 Ca -0.14 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1j8c s PRO 49 Cb -0.08 -3.72 0.35 0.00 0.04 0.00 0.00 34.50 31.09 1j8c s PRO 49 CO 0.00 -0.72 0.58 0.39 0.04 0.00 0.00 177.00 177.30 1j8c n GLU 50 N 6.04 -0.03 -1.12 4.56 1.02 -1.04 0.95 120.64 131.03 1j8c n GLU 50 Ca 0.15 0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 57.67 1j8c n GLU 50 Cb 0.42 -0.89 -0.08 0.00 -0.02 0.00 0.00 31.44 30.87 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 -4.19 5.91 -4.18 1.62 0.23 -1.26 -4.37 115.26 109.03 1j8c n ASN 51 Ca 0.10 -2.84 -0.37 0.00 -0.53 0.00 0.00 54.58 50.94 1j8c n ASN 51 Cb 0.34 -1.26 -0.11 0.00 -2.08 0.00 0.00 39.78 36.67 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 1.09 5.30 0.66 0.53 1.04 0.27 -5.08 113.70 117.51 1j8c s SER 52 Ca 0.51 -1.72 -0.17 0.00 0.48 0.00 0.00 55.95 55.05 1j8c s SER 52 Cb 0.30 -1.85 -0.00 0.00 0.10 0.00 0.00 66.02 64.56 1j8c s SER 52 CO -0.09 -0.49 1.28 -0.55 0.98 0.00 0.00 173.24 174.38 1j8c s SER 53 N 1.80 4.51 0.40 7.02 0.15 -1.26 -4.59 113.70 121.73 1j8c s SER 53 Ca 0.04 2.58 0.07 0.00 0.70 0.00 0.00 55.95 59.33 1j8c s SER 53 Cb -0.22 -2.61 0.84 0.00 -1.71 0.00 0.00 66.02 62.32 1j8c s SER 53 CO -0.02 -2.06 2.05 0.58 1.20 0.00 0.00 173.24 174.99 1j8c h VAL 54 N 0.38 1.10 -0.63 4.45 2.07 -1.78 -2.81 116.25 119.03 1j8c h VAL 54 Ca -0.50 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 66.95 1j8c h VAL 54 Cb 1.33 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 31.46 1j8c h VAL 54 CO 0.52 0.11 -0.06 -0.61 0.02 0.00 0.00 177.57 177.55 1j8c h GLN 55 N 0.58 0.06 0.04 1.57 -0.00 -1.90 1.23 115.11 116.71 1j8c h GLN 55 Ca 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1j8c h GLN 55 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.42 1j8c h GLN 55 CO -0.04 0.04 -0.02 0.37 0.00 0.00 0.00 178.83 179.18 1j8c h GLN 56 N 0.07 -0.06 -0.67 1.69 5.75 -1.87 -2.86 115.11 117.16 1j8c h GLN 56 Ca 0.32 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 1j8c h GLN 56 Cb 0.52 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 1j8c h GLN 56 CO -0.59 0.18 0.42 0.35 -2.65 0.00 0.00 178.83 176.55 1j8c h PHE 57 N -0.29 0.87 -0.65 3.99 3.57 -1.25 -1.44 116.94 121.73 1j8c h PHE 57 Ca -0.01 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1j8c h PHE 57 Cb 0.26 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1j8c h PHE 57 CO 0.00 0.57 0.43 0.87 -2.23 0.00 0.00 178.31 177.95 1j8c h LYS 58 N 0.92 0.63 0.00 1.11 1.57 0.17 -0.25 116.57 120.72 1j8c h LYS 58 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1j8c h LYS 58 Cb -0.06 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1j8c h LYS 58 CO -0.05 0.42 -0.64 0.93 -0.57 0.00 0.00 179.45 179.54 1j8c h GLU 59 N 0.65 0.00 -0.19 3.15 5.08 -1.13 -3.35 114.58 118.79 1j8c h GLU 59 Ca 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1j8c h GLU 59 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1j8c h GLU 59 CO -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.91 1j8c h ALA 60 N 2.20 0.25 -0.71 3.43 0.00 -0.04 -2.96 119.26 121.43 1j8c h ALA 60 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1j8c h ALA 60 Cb 0.90 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1j8c h ALA 60 CO 0.00 -0.02 0.42 0.82 0.00 0.00 0.00 179.25 180.47 1j8c h ILE 61 N 0.08 1.20 -0.16 0.00 2.04 -1.64 -2.11 117.51 116.93 1j8c h ILE 61 Ca 0.05 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1j8c h ILE 61 Cb 0.41 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1j8c h ILE 61 CO 0.01 0.22 -0.17 -1.28 0.00 0.00 0.00 178.15 176.93 1j8c h SER 62 N 0.98 -0.53 0.26 1.72 0.87 -1.65 1.07 113.55 116.27 1j8c h SER 62 Ca 0.26 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1j8c h SER 62 Cb -0.02 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1j8c h SER 62 CO -0.05 -0.22 -0.13 0.50 -0.53 0.00 0.00 176.83 176.41 1j8c h LYS 63 N -0.20 -0.34 0.17 2.24 1.63 -1.42 0.12 116.57 118.78 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 0.36 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1j8c h LYS 63 CO -0.27 0.01 -0.08 -0.09 -3.45 0.00 0.00 179.45 175.56 1j8c h ARG 64 N -0.77 -0.22 -0.31 1.90 1.12 -1.32 -3.31 114.38 111.47 1j8c h ARG 64 Ca -0.04 0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.73 1j8c h ARG 64 Cb 0.50 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 1j8c h ARG 64 CO 0.06 0.19 -0.29 0.35 -3.11 0.00 0.00 179.97 177.18 1j8c h PHE 65 N -0.85 0.72 -3.69 2.20 3.04 1.00 -3.49 116.94 115.88 1j8c h PHE 65 Ca -0.02 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.75 1j8c h PHE 65 Cb 0.52 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1j8c h PHE 65 CO 0.08 0.85 -0.12 1.17 -2.02 0.00 0.00 178.31 178.27 1j8c n LYS 66 N -4.09 -0.64 0.00 1.11 3.00 0.42 -4.99 118.16 112.97 1j8c n LYS 66 Ca -0.01 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.25 1j8c n LYS 66 Cb 0.45 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.72 1j8c n LYS 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1j8c n SER 67 N -0.62 0.00 -3.40 3.14 3.41 -1.20 -5.03 113.62 109.92 1j8c n SER 67 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.38 1j8c n SER 67 Cb 0.22 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.39 1j8c n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j8c n GLN 68 N 0.00 -3.03 0.12 4.33 1.13 -1.26 -4.77 117.38 113.90 1j8c n GLN 68 Ca 0.00 -1.51 0.00 0.00 -1.94 0.00 0.00 57.00 53.55 1j8c n GLN 68 Cb 0.00 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 28.90 1j8c n GLN 68 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1j8c n THR 69 N -4.65 0.00 0.26 5.09 -1.04 -1.26 -4.39 114.28 108.29 1j8c n THR 69 Ca 0.13 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.04 1j8c n THR 69 Cb 0.52 -0.33 -0.05 0.00 -1.82 0.00 0.00 70.33 68.64 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 -0.57 0.30 8.00 3.58 -1.95 -2.87 116.42 122.90 1j8c h ASP 70 Ca 0.00 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1j8c h ASP 70 Cb 0.00 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1j8c h ASP 70 CO 0.00 -0.40 -0.11 1.56 -2.88 0.00 0.00 179.24 177.41 1j8c h GLN 71 N -0.69 0.00 -5.81 0.28 4.20 -1.94 -3.42 115.11 107.72 1j8c h GLN 71 Ca -0.07 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.06 1j8c h GLN 71 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1j8c h GLN 71 CO 0.11 0.11 1.53 -0.11 -0.67 0.00 0.00 178.83 179.80 1j8c n LEU 72 N -3.75 2.41 -4.20 1.46 0.00 -1.09 -2.37 117.00 109.46 1j8c n LEU 72 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 56.01 55.95 1j8c n LEU 72 Cb 0.22 -1.42 -0.10 0.00 0.00 0.00 0.00 43.42 42.12 1j8c n LEU 72 CO 0.30 -0.94 -0.33 -0.69 0.00 0.00 0.00 177.39 175.73 1j8c s VAL 73 N 9.07 0.51 -0.05 1.96 1.01 -0.53 -4.87 120.40 127.50 1j8c s VAL 73 Ca 1.06 -1.95 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1j8c s VAL 73 Cb -0.54 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1j8c s VAL 73 CO 0.38 -0.56 -0.16 -0.76 0.00 0.00 0.00 175.10 174.01 1j8c s LEU 74 N -3.11 2.62 -0.61 3.92 1.02 -1.13 -1.08 118.68 120.31 1j8c s LEU 74 Ca 0.21 -0.25 -0.19 0.00 0.02 0.00 0.00 54.13 53.92 1j8c s LEU 74 Cb 0.06 -1.52 0.10 0.00 0.02 0.00 0.00 46.19 44.86 1j8c s LEU 74 CO 0.01 0.33 0.74 -0.63 0.02 0.00 0.00 176.35 176.82 1j8c s ILE 75 N -0.63 4.79 0.96 -0.59 -1.09 0.12 0.14 121.20 124.90 1j8c s ILE 75 Ca 0.09 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 1j8c s ILE 75 Cb -0.11 -4.52 0.16 0.00 -1.58 0.00 0.00 42.46 36.42 1j8c s ILE 75 CO 0.01 -1.17 1.09 0.12 -1.23 0.00 0.00 174.94 173.77 1j8c s PHE 76 N 2.77 2.20 -0.70 3.97 5.36 -0.02 -2.70 117.98 128.86 1j8c s PHE 76 Ca 0.13 1.08 -0.22 0.00 -0.96 0.00 0.00 56.93 56.97 1j8c s PHE 76 Cb -0.23 -3.23 -0.17 0.00 -0.34 0.00 0.00 43.02 39.05 1j8c s PHE 76 CO 0.06 -2.68 1.90 0.00 -1.46 0.00 0.00 175.22 173.03 1j8c n ALA 77 N -4.05 3.16 0.00 11.12 0.00 -1.26 -2.67 120.51 126.80 1j8c n ALA 77 Ca 0.06 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.36 1j8c n ALA 77 Cb 0.57 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 4.51 1.82 1.70 0.00 0.00 -1.26 -5.11 105.19 106.85 1j8c n GLY 78 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 1j8c n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j8c n LYS 79 N -0.56 0.24 -3.97 1.61 0.00 -1.09 -5.13 118.16 109.27 1j8c n LYS 79 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 58.31 57.38 1j8c n LYS 79 Cb 0.00 0.82 -0.14 0.00 0.00 0.00 0.00 35.03 35.71 1j8c n LYS 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1j8c s ILE 80 N -2.30 2.68 -0.81 3.15 -1.09 -1.26 -0.84 121.20 120.74 1j8c s ILE 80 Ca 0.11 -1.52 -0.23 0.00 -2.23 0.00 0.00 60.65 56.78 1j8c s ILE 80 Cb -0.01 -2.57 -0.16 0.00 -1.58 0.00 0.00 42.46 38.14 1j8c s ILE 80 CO 0.02 -0.11 1.91 -0.11 -1.23 0.00 0.00 174.94 175.42 1j8c n LEU 81 N 4.54 3.69 0.00 2.97 7.94 0.37 -4.56 117.00 131.96 1j8c n LEU 81 Ca -0.13 -2.86 0.00 0.00 -1.11 0.00 0.00 56.01 51.91 1j8c n LEU 81 Cb 0.43 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.18 1j8c n LEU 81 CO 0.24 -0.76 0.00 1.17 -1.11 0.00 0.00 177.39 176.93 1j8c n LYS 82 N 7.32 1.68 0.13 1.96 4.81 -1.26 -2.85 118.16 129.95 1j8c n LYS 82 Ca 0.49 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.05 1j8c n LYS 82 Cb 0.42 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.94 1j8c n LYS 82 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1j8c n ASP 83 N 0.00 0.75 -0.01 3.14 2.03 -1.26 -2.98 116.55 118.22 1j8c n ASP 83 Ca 0.00 0.65 0.09 0.00 0.52 0.00 0.00 54.79 56.05 1j8c n ASP 83 Cb 0.00 -0.82 0.50 0.00 -0.72 0.00 0.00 41.12 40.08 1j8c n ASP 83 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1j8c h GLN 84 N 0.00 0.39 -4.29 -0.67 4.15 -1.95 -3.44 115.11 109.30 1j8c h GLN 84 Ca 0.00 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 1j8c h GLN 84 Cb 0.48 -0.09 -0.14 0.00 0.21 0.00 0.00 27.48 27.94 1j8c h GLN 84 CO 0.00 0.25 -0.54 0.16 -1.93 0.00 0.00 178.83 176.78 1j8c s ASP 85 N -6.51 0.20 0.18 -0.69 1.47 -1.16 -5.16 116.67 105.01 1j8c s ASP 85 Ca -0.07 -1.14 0.01 0.00 1.18 0.00 0.00 52.55 52.52 1j8c s ASP 85 Cb 0.18 0.36 -0.04 0.00 -0.34 0.00 0.00 42.92 43.08 1j8c s ASP 85 CO 0.73 -0.81 0.34 0.42 0.68 0.00 0.00 175.17 176.54 1j8c s THR 86 N -4.05 5.27 0.07 2.11 -4.23 -1.26 -4.47 115.64 109.08 1j8c s THR 86 Ca 0.25 -0.55 -0.20 0.00 -1.18 0.00 0.00 61.69 60.01 1j8c s THR 86 Cb 0.06 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.05 1j8c s THR 86 CO 0.03 -0.15 1.50 -0.07 -0.54 0.00 0.00 174.62 175.40 1j8c h LEU 87 N 2.02 0.36 -1.84 4.79 4.07 -1.88 -1.49 115.31 121.34 1j8c h LEU 87 Ca -0.48 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.16 1j8c h LEU 87 Cb 1.19 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1j8c h LEU 87 CO 0.68 0.59 0.00 0.16 -1.08 0.00 0.00 178.44 178.79 1j8c h ILE 88 N 0.12 0.00 0.00 1.22 -0.00 -1.76 0.09 117.51 117.18 1j8c h ILE 88 Ca 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 64.86 64.77 1j8c h ILE 88 Cb 0.41 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 38.19 1j8c h ILE 88 CO 0.01 0.00 -1.10 1.67 -0.00 0.00 0.00 178.15 178.73 1j8c n GLN 89 N -2.71 0.29 0.00 0.16 0.00 -0.90 -4.88 117.38 109.34 1j8c n GLN 89 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 1j8c n GLN 89 Cb 0.14 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 28.80 1j8c n GLN 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1j8c n HIS 90 N -1.95 0.00 -0.00 3.69 8.25 -0.61 -4.93 115.22 119.67 1j8c n HIS 90 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1j8c n HIS 90 Cb 0.44 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 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 0.08 -2.43 -1.41 0.00 -0.56 -3.46 103.07 95.30 1j8c h GLY 91 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1j8c h GLY 91 CO 0.00 -0.03 -0.24 -0.26 0.00 0.00 0.00 176.54 176.01 1j8c s ILE 92 N -6.19 0.02 -0.06 2.60 -5.25 -0.08 -4.94 121.20 107.29 1j8c s ILE 92 Ca -0.13 -1.47 0.03 0.00 -0.99 0.00 0.00 60.65 58.09 1j8c s ILE 92 Cb 0.08 -2.14 -0.06 0.00 2.95 0.00 0.00 42.46 43.29 1j8c s ILE 92 CO 0.67 -0.07 -0.01 1.41 -1.79 0.00 0.00 174.94 175.15 1j8c n HIS 93 N -0.32 0.00 -2.14 1.37 8.25 -1.26 -4.16 115.22 116.95 1j8c n HIS 93 Ca -0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1j8c n HIS 93 Cb 0.63 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.37 -0.06 0.00 0.41 2.03 -1.26 -4.98 116.55 110.31 1j8c n ASP 94 Ca -0.10 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.51 1j8c n ASP 94 Cb 0.66 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 -0.05 0.64 3.84 0.27 0.00 -0.81 -4.45 105.19 104.63 1j8c n GLY 95 Ca -0.01 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 2.92 0.03 0.99 1.02 -1.25 -4.88 118.68 117.51 1j8c s LEU 96 Ca 0.00 -1.14 0.04 0.00 0.02 0.00 0.00 54.13 53.06 1j8c s LEU 96 Cb 0.00 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 1j8c s LEU 96 CO 0.00 -0.84 -0.08 0.42 0.02 0.00 0.00 176.35 175.87 1j8c s THR 97 N -2.67 3.52 0.02 5.49 -4.23 -1.26 -1.60 115.64 114.89 1j8c s THR 97 Ca 0.37 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1j8c s THR 97 Cb -0.00 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 1j8c s THR 97 CO 0.21 0.33 0.08 -0.69 -0.54 0.00 0.00 174.62 174.02 1j8c s VAL 98 N -1.04 0.10 -0.34 2.29 1.01 -1.04 -4.76 120.40 116.63 1j8c s VAL 98 Ca 0.18 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1j8c s VAL 98 Cb -0.11 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 1j8c s VAL 98 CO 0.09 -0.47 0.65 -2.28 0.00 0.00 0.00 175.10 173.09 1j8c s HIS 99 N -1.70 3.17 0.46 5.22 2.46 -1.10 -2.73 115.29 121.08 1j8c s HIS 99 Ca -0.13 0.47 -0.22 0.00 0.47 0.00 0.00 55.06 55.65 1j8c s HIS 99 Cb -0.07 -3.10 -0.08 0.00 -0.13 0.00 0.00 32.58 29.20 1j8c s HIS 99 CO -0.00 -0.57 1.06 -1.17 -2.47 0.00 0.00 174.74 171.58 1j8c s LEU 100 N 2.70 3.95 -0.16 8.88 0.20 -0.98 0.15 118.68 133.43 1j8c s LEU 100 Ca 0.25 2.02 -0.30 0.00 0.69 0.00 0.00 54.13 56.79 1j8c s LEU 100 Cb -0.15 -4.41 0.13 0.00 -0.43 0.00 0.00 46.19 41.34 1j8c s LEU 100 CO 0.14 -0.73 1.05 0.54 -0.29 0.00 0.00 176.35 177.06 1j8c s VAL 101 N -1.82 0.00 -0.11 1.68 0.11 -0.24 -4.83 120.40 115.19 1j8c s VAL 101 Ca 0.64 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.67 1j8c s VAL 101 Cb -0.20 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 1j8c s VAL 101 CO 0.24 0.00 -0.02 0.27 -3.33 0.00 0.00 175.10 172.27 1j8c s ILE 102 N -1.50 4.14 -2.33 7.04 -0.00 -1.26 -1.45 121.20 125.84 1j8c s ILE 102 Ca 0.02 -0.30 0.19 0.00 -0.00 0.00 0.00 60.65 60.56 1j8c s ILE 102 Cb -0.01 -2.76 0.15 0.00 -0.00 0.00 0.00 42.46 39.84 1j8c s ILE 102 CO -0.02 0.56 1.09 1.17 -0.00 0.00 0.00 174.94 177.75