#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 -0.11 -3.67 3.04 0.00 -1.26 -4.96 120.51 113.55 1j8c n ALA 2 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.59 1j8c n ALA 2 Cb 0.00 0.48 0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.21 -3.19 -2.65 0.00 4.07 -1.26 -4.92 120.64 112.48 1j8c n GLU 3 Ca 0.00 0.57 -0.27 0.00 -0.06 0.00 0.00 57.16 57.40 1j8c n GLU 3 Cb 0.22 -4.83 -0.01 0.00 -0.06 0.00 0.00 31.44 26.75 1j8c n GLU 3 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1j8c n ASN 4 N -2.94 4.68 -3.24 4.31 3.02 -1.26 -4.87 115.26 114.95 1j8c n ASN 4 Ca -0.21 -3.71 -0.04 0.00 -0.03 0.00 0.00 54.58 50.60 1j8c n ASN 4 Cb 0.64 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1j8c n ASN 4 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1j8c s GLY 5 N -3.48 -0.87 -0.43 7.41 0.00 -1.26 -5.01 107.32 103.68 1j8c s GLY 5 Ca 0.48 0.40 -0.25 0.00 0.00 0.00 0.00 44.72 45.36 1j8c s GLY 5 CO -0.17 3.33 0.62 -2.21 0.00 0.00 0.00 173.10 174.67 1j8c n GLU 6 N 5.15 -2.22 -0.37 2.90 4.07 -1.26 -5.01 120.64 123.89 1j8c n GLU 6 Ca 0.05 1.87 0.00 0.00 -0.06 0.00 0.00 57.16 59.02 1j8c n GLU 6 Cb 0.52 -4.32 0.00 0.00 -0.06 0.00 0.00 31.44 27.58 1j8c n GLU 6 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1j8c n SER 7 N -0.24 0.00 -0.04 4.31 7.64 -1.26 -5.05 113.62 118.98 1j8c n SER 7 Ca 0.04 -0.77 -0.04 0.00 1.01 0.00 0.00 58.87 59.11 1j8c n SER 7 Cb 0.54 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 1j8c n SER 7 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j8c n SER 8 N -2.32 2.62 -1.23 6.43 7.64 -1.26 -5.07 113.62 120.43 1j8c n SER 8 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1j8c n SER 8 Cb 0.00 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1j8c n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j8c n GLY 9 N 2.37 -0.29 3.78 0.23 0.00 -1.26 -5.03 105.19 104.99 1j8c n GLY 9 Ca -0.15 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.77 3.77 0.22 1.61 0.04 -1.26 -4.96 135.00 132.65 1j8c s PRO 10 Ca 0.00 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.60 1j8c s PRO 10 Cb 0.00 -2.22 0.18 0.00 0.04 0.00 0.00 34.50 32.50 1j8c s PRO 10 CO 0.00 -0.48 1.51 -1.00 0.04 0.00 0.00 177.00 177.06 1j8c h PRO 11 N 1.76 0.21 -2.57 0.56 0.13 -2.08 -3.45 132.00 126.55 1j8c h PRO 11 Ca -0.49 -0.17 -0.10 0.00 -0.87 0.00 0.00 66.00 64.37 1j8c h PRO 11 Cb 1.23 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 1j8c h PRO 11 CO 0.59 0.81 -0.13 -0.98 -0.23 0.00 0.00 178.00 178.07 1j8c s ARG 12 N -3.58 0.64 -0.08 0.86 1.70 -1.26 -5.07 118.95 112.17 1j8c s ARG 12 Ca -0.03 0.48 -0.24 0.00 -0.47 0.00 0.00 55.73 55.47 1j8c s ARG 12 Cb 0.11 0.31 -0.20 0.00 -0.57 0.00 0.00 34.95 34.60 1j8c s ARG 12 CO 0.80 -0.12 0.90 -1.00 -1.08 0.00 0.00 175.30 174.80 1j8c h PRO 13 N 4.84 -0.06 0.00 3.89 0.13 -2.02 -3.47 132.00 135.31 1j8c h PRO 13 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1j8c h PRO 13 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j8c h PRO 13 CO 0.25 0.58 0.00 0.45 -0.23 0.00 0.00 178.00 179.05 1j8c n SER 14 N -4.78 0.00 -3.71 1.44 2.88 -1.26 -5.16 113.62 103.03 1j8c n SER 14 Ca -0.08 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.43 1j8c n SER 14 Cb 0.33 0.28 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1j8c n SER 14 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1j8c s ARG 15 N -1.57 1.17 0.00 -1.46 3.52 -1.26 -5.11 118.95 114.23 1j8c s ARG 15 Ca 0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1j8c s ARG 15 Cb 0.00 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 1j8c s ARG 15 CO 0.00 -0.54 0.10 0.41 -0.81 0.00 0.00 175.30 174.46 1j8c n GLY 16 N -0.49 -0.09 3.79 8.12 0.00 -1.26 -4.86 105.19 110.40 1j8c n GLY 16 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 3.36 -0.18 1.61 0.04 -1.26 -5.05 135.00 133.33 1j8c s PRO 17 Ca 0.00 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.38 1j8c s PRO 17 Cb 0.00 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1j8c s PRO 17 CO 0.00 -0.80 -0.13 0.00 0.04 0.00 0.00 177.00 176.11 1j8c s ALA 18 N -2.23 2.03 0.10 8.56 0.00 -1.26 -4.98 121.76 123.98 1j8c s ALA 18 Ca 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1j8c s ALA 18 Cb -0.18 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1j8c s ALA 18 CO 0.32 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.47 1j8c n ALA 19 N 4.69 3.00 -0.07 0.00 0.00 -1.26 -4.98 120.51 121.89 1j8c n ALA 19 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1j8c n ALA 19 Cb 0.48 0.25 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.27 1.86 -2.92 0.00 0.00 -1.26 -5.08 120.51 109.84 1j8c n ALA 20 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 1j8c n ALA 20 Cb 0.13 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1j8c n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j8c n GLN 21 N -3.85 -2.25 -3.11 0.00 6.02 -1.26 -5.03 117.38 107.90 1j8c n GLN 21 Ca -0.26 2.00 0.05 0.00 -0.01 0.00 0.00 57.00 58.78 1j8c n GLN 21 Cb 0.61 -3.71 0.00 0.00 1.02 0.00 0.00 30.24 28.16 1j8c n GLN 21 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1j8c s GLY 22 N -1.44 -1.07 -0.24 1.08 0.00 -1.26 -5.13 107.32 99.27 1j8c s GLY 22 Ca 0.02 1.77 0.01 0.00 0.00 0.00 0.00 44.72 46.51 1j8c s GLY 22 CO 0.50 4.04 -0.04 -1.35 0.00 0.00 0.00 173.10 176.25 1j8c s SER 23 N 2.80 3.82 -0.38 1.64 1.04 -1.26 -5.09 113.70 116.27 1j8c s SER 23 Ca 0.23 -1.20 -0.29 0.00 0.48 0.00 0.00 55.95 55.17 1j8c s SER 23 Cb -0.03 -1.14 0.01 0.00 0.10 0.00 0.00 66.02 64.97 1j8c s SER 23 CO -0.22 -0.25 1.29 0.00 0.98 0.00 0.00 173.24 175.03 1j8c s ALA 24 N 1.42 3.21 -0.24 5.32 0.00 -1.26 -4.86 121.76 125.35 1j8c s ALA 24 Ca -0.04 -0.14 0.18 0.00 0.00 0.00 0.00 51.96 51.95 1j8c s ALA 24 Cb -0.19 -3.86 0.48 0.00 0.00 0.00 0.00 23.12 19.56 1j8c s ALA 24 CO -0.07 -2.09 1.15 0.00 0.00 0.00 0.00 175.76 174.74 1j8c n ALA 25 N 8.05 3.39 -2.76 0.00 0.00 -1.26 -5.08 120.51 122.86 1j8c n ALA 25 Ca 0.15 -3.07 -0.29 0.00 0.00 0.00 0.00 53.44 50.22 1j8c n ALA 25 Cb 0.48 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 1j8c n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8c s ALA 26 N -3.32 3.50 -0.55 0.00 0.00 -1.26 -5.05 121.76 115.07 1j8c s ALA 26 Ca 0.36 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 1j8c s ALA 26 Cb 0.36 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1j8c s ALA 26 CO -0.03 0.67 1.59 -1.25 0.00 0.00 0.00 175.76 176.74 1j8c s PRO 27 N -2.57 3.11 -0.22 0.00 0.04 -1.26 -4.81 135.00 129.29 1j8c s PRO 27 Ca 0.29 0.61 0.08 0.00 0.04 0.00 0.00 61.00 62.01 1j8c s PRO 27 Cb -0.11 -4.21 -0.19 0.00 0.04 0.00 0.00 34.50 30.03 1j8c s PRO 27 CO 0.21 -2.16 -0.11 0.00 0.04 0.00 0.00 177.00 174.99 1j8c n ALA 28 N 10.56 1.50 -3.43 8.56 0.00 -1.26 -4.88 120.51 131.56 1j8c n ALA 28 Ca 0.16 -1.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 1j8c n ALA 28 Cb 0.50 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 1j8c n ALA 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j8c s GLU 29 N -2.48 0.38 -0.03 0.00 2.02 -1.26 -5.00 118.70 112.34 1j8c s GLU 29 Ca -0.24 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1j8c s GLU 29 Cb 0.07 -0.87 0.04 0.00 0.10 0.00 0.00 34.13 33.47 1j8c s GLU 29 CO 0.65 -1.08 1.06 -0.35 0.02 0.00 0.00 175.26 175.55 1j8c n PRO 30 N 4.93 1.07 -1.10 0.39 -0.04 -1.26 -4.57 135.00 134.41 1j8c n PRO 30 Ca 0.01 -0.17 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 1j8c n PRO 30 Cb 0.44 -1.07 -0.05 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.41 1.70 -1.75 0.54 4.01 -1.26 -4.89 118.16 116.92 1j8c n LYS 31 Ca 0.03 -1.82 -0.41 0.00 -0.51 0.00 0.00 58.31 55.61 1j8c n LYS 31 Cb 0.57 -2.85 0.00 0.00 -0.51 0.00 0.00 35.03 32.24 1j8c n LYS 31 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1j8c n ILE 32 N 5.59 2.20 -4.40 -0.18 2.08 -1.26 -2.20 119.36 121.19 1j8c n ILE 32 Ca 0.49 -0.50 -0.28 0.00 0.56 0.00 0.00 62.75 63.02 1j8c n ILE 32 Cb 0.35 -1.81 -0.12 0.00 -0.75 0.00 0.00 39.64 37.31 1j8c n ILE 32 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1j8c s ILE 33 N -1.13 2.37 0.12 1.39 -4.36 0.88 -4.79 121.20 115.67 1j8c s ILE 33 Ca 0.56 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.92 1j8c s ILE 33 Cb -0.50 -2.10 -0.07 0.00 1.25 0.00 0.00 42.46 41.05 1j8c s ILE 33 CO 0.62 -0.02 0.52 -0.54 0.24 0.00 0.00 174.94 175.75 1j8c s LYS 34 N -2.41 3.96 -0.16 0.37 1.02 -1.26 -2.54 119.74 118.72 1j8c s LYS 34 Ca 0.18 0.46 -0.02 0.00 0.02 0.00 0.00 55.97 56.61 1j8c s LYS 34 Cb -0.09 -2.99 0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1j8c s LYS 34 CO 0.08 0.52 0.00 0.08 -0.92 0.00 0.00 175.35 175.12 1j8c s VAL 35 N -1.39 0.70 -0.58 3.17 1.01 -0.75 -1.74 120.40 120.82 1j8c s VAL 35 Ca 0.35 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1j8c s VAL 35 Cb -0.15 -1.04 0.07 0.00 0.00 0.00 0.00 36.38 35.26 1j8c s VAL 35 CO 0.19 -0.02 0.79 -0.89 0.00 0.00 0.00 175.10 175.16 1j8c s THR 36 N 1.80 4.63 -0.18 3.92 2.01 -0.88 -0.34 115.64 126.60 1j8c s THR 36 Ca 0.00 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 1j8c s THR 36 Cb -0.16 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1j8c s THR 36 CO -0.07 -1.12 0.36 -0.69 -0.69 0.00 0.00 174.62 172.41 1j8c s VAL 37 N 3.25 5.24 -0.23 3.82 1.01 -1.08 -2.66 120.40 129.75 1j8c s VAL 37 Ca 0.18 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 1j8c s VAL 37 Cb -0.19 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1j8c s VAL 37 CO 0.11 0.31 0.04 -0.54 0.00 0.00 0.00 175.10 175.02 1j8c s LYS 38 N 0.92 3.66 0.32 2.72 -0.14 -1.20 -2.65 119.74 123.38 1j8c s LYS 38 Ca 0.19 -0.49 0.07 0.00 -1.36 0.00 0.00 55.97 54.38 1j8c s LYS 38 Cb -0.14 -3.22 -0.06 0.00 -1.68 0.00 0.00 37.83 32.73 1j8c s LYS 38 CO 0.07 -0.08 -0.03 0.95 -0.76 0.00 0.00 175.35 175.50 1j8c s THR 39 N 1.28 1.71 -0.68 2.17 -4.23 -0.43 -2.32 115.64 113.15 1j8c s THR 39 Ca 0.04 -2.09 0.18 0.00 -1.18 0.00 0.00 61.69 58.65 1j8c s THR 39 Cb -0.15 -2.66 0.18 0.00 1.34 0.00 0.00 72.50 71.21 1j8c s THR 39 CO 0.02 -0.16 1.56 -0.81 -0.54 0.00 0.00 174.62 174.69 1j8c n PRO 40 N -0.71 0.11 -0.06 3.99 -0.04 -1.26 -2.89 135.00 134.13 1j8c n PRO 40 Ca -0.05 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.58 1j8c n PRO 40 Cb 0.65 -1.72 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 1j8c n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j8c n LYS 41 N -1.92 0.67 -1.17 0.54 4.01 -1.26 -5.08 118.16 113.95 1j8c n LYS 41 Ca 0.02 0.35 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 1j8c n LYS 41 Cb 0.17 -1.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1j8c n LYS 41 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1j8c n GLU 42 N -3.82 0.00 -3.96 1.97 0.28 -1.14 -5.15 120.64 108.82 1j8c n GLU 42 Ca -0.36 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.39 1j8c n GLU 42 Cb 0.91 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.61 1j8c n GLU 42 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1j8c s LYS 43 N -1.17 1.31 -0.02 3.44 -2.85 -1.26 -1.31 119.74 117.89 1j8c s LYS 43 Ca 0.00 -0.19 0.01 0.00 -1.00 0.00 0.00 55.97 54.80 1j8c s LYS 43 Cb 0.00 -1.40 0.01 0.00 -2.06 0.00 0.00 37.83 34.38 1j8c s LYS 43 CO 0.00 -0.23 -0.05 -1.21 0.10 0.00 0.00 175.35 173.96 1j8c s GLU 44 N 1.61 0.56 0.33 1.78 0.41 -1.08 -5.01 118.70 117.30 1j8c s GLU 44 Ca 0.02 -0.14 -0.14 0.00 -0.41 0.00 0.00 54.97 54.30 1j8c s GLU 44 Cb -0.13 -0.58 -0.09 0.00 -1.78 0.00 0.00 34.13 31.56 1j8c s GLU 44 CO -0.06 0.03 0.73 -1.21 -0.49 0.00 0.00 175.26 174.26 1j8c s GLU 45 N 0.34 3.97 -0.07 1.61 2.02 -1.26 -2.65 118.70 122.66 1j8c s GLU 45 Ca -0.04 0.64 0.03 0.00 0.02 0.00 0.00 54.97 55.61 1j8c s GLU 45 Cb -0.08 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.73 1j8c s GLU 45 CO -0.00 0.15 -0.14 -0.06 0.02 0.00 0.00 175.26 175.22 1j8c s PHE 46 N -2.01 1.63 -0.21 1.61 0.40 0.53 -4.91 117.98 115.02 1j8c s PHE 46 Ca 0.54 -0.61 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 1j8c s PHE 46 Cb -0.10 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1j8c s PHE 46 CO 0.19 -0.29 0.46 0.00 0.70 0.00 0.00 175.22 176.27 1j8c s ALA 47 N 0.59 3.55 0.04 5.36 0.00 -1.26 -1.82 121.76 128.22 1j8c s ALA 47 Ca -0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1j8c s ALA 47 Cb -0.16 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1j8c s ALA 47 CO 0.05 -0.40 0.05 0.14 0.00 0.00 0.00 175.76 175.59 1j8c s VAL 48 N 1.54 0.14 -0.08 0.00 -7.23 -1.05 -4.96 120.40 108.76 1j8c s VAL 48 Ca 0.21 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 1j8c s VAL 48 Cb -0.15 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1j8c s VAL 48 CO 0.09 -0.64 1.53 -2.16 -0.31 0.00 0.00 175.10 173.60 1j8c s PRO 49 N -2.56 4.20 0.37 4.82 0.04 -1.26 -0.08 135.00 140.52 1j8c s PRO 49 Ca -0.05 2.03 0.25 0.00 0.04 0.00 0.00 61.00 63.26 1j8c s PRO 49 Cb -0.02 -3.89 1.27 0.00 0.04 0.00 0.00 34.50 31.91 1j8c s PRO 49 CO -0.05 -0.78 1.39 -0.85 0.04 0.00 0.00 177.00 176.75 1j8c n GLU 50 N 6.82 -0.04 -1.40 4.56 -0.00 -0.93 -0.73 120.64 128.92 1j8c n GLU 50 Ca 0.16 1.15 -0.25 0.00 -0.00 0.00 0.00 57.16 58.22 1j8c n GLU 50 Cb 0.43 -2.19 -0.08 0.00 -0.00 0.00 0.00 31.44 29.60 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 -4.68 6.48 -4.04 -1.84 0.23 -1.26 -4.35 115.26 105.80 1j8c n ASN 51 Ca 0.35 -2.94 -0.27 0.00 -0.53 0.00 0.00 54.58 51.19 1j8c n ASN 51 Cb 1.29 -1.33 -0.17 0.00 -2.08 0.00 0.00 39.78 37.50 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 0.97 2.25 0.57 0.53 0.15 0.09 -5.11 113.70 113.15 1j8c s SER 52 Ca 0.61 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.70 1j8c s SER 52 Cb 0.32 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 63.58 1j8c s SER 52 CO -0.13 0.02 1.12 -0.55 1.20 0.00 0.00 173.24 174.89 1j8c s SER 53 N 0.93 5.61 0.36 5.45 0.15 -1.26 -4.34 113.70 120.60 1j8c s SER 53 Ca -0.09 2.12 0.05 0.00 0.70 0.00 0.00 55.95 58.73 1j8c s SER 53 Cb -0.15 -2.57 0.69 0.00 -1.71 0.00 0.00 66.02 62.28 1j8c s SER 53 CO -0.00 -1.29 1.97 0.58 1.20 0.00 0.00 173.24 175.69 1j8c h VAL 54 N 0.93 1.16 -0.86 4.45 2.07 -1.80 -2.79 116.25 119.40 1j8c h VAL 54 Ca -0.49 -0.48 0.21 0.00 0.82 0.00 0.00 66.70 66.76 1j8c h VAL 54 Cb 1.26 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 31.54 1j8c h VAL 54 CO 0.56 0.19 0.33 -0.61 0.02 0.00 0.00 177.57 178.06 1j8c h GLN 55 N 0.60 0.34 -0.12 1.57 4.15 -1.90 1.03 115.11 120.78 1j8c h GLN 55 Ca 0.15 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1j8c h GLN 55 Cb 0.10 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1j8c h GLN 55 CO -0.02 0.22 -0.15 0.37 -1.93 0.00 0.00 178.83 177.32 1j8c h GLN 56 N 0.35 0.32 -0.51 1.69 -0.00 -1.88 -2.92 115.11 112.16 1j8c h GLN 56 Ca 0.53 -0.18 -0.08 0.00 -0.00 0.00 0.00 58.65 58.91 1j8c h GLN 56 Cb 1.00 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.47 1j8c h GLN 56 CO -0.54 0.74 -0.02 0.35 0.00 0.00 0.00 178.83 179.36 1j8c h PHE 57 N -0.08 0.94 -0.95 3.99 3.57 -1.12 -2.55 116.94 120.73 1j8c h PHE 57 Ca 0.02 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.42 1j8c h PHE 57 Cb 0.70 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1j8c h PHE 57 CO 0.09 0.86 0.62 -0.22 -2.23 0.00 0.00 178.31 177.44 1j8c h LYS 58 N 0.80 1.10 0.00 1.11 3.11 0.10 0.61 116.57 123.41 1j8c h LYS 58 Ca 0.15 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 1j8c h LYS 58 Cb 0.51 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1j8c h LYS 58 CO 0.03 0.73 -0.07 0.93 -2.81 0.00 0.00 179.45 178.26 1j8c h GLU 59 N 1.14 0.00 0.05 1.90 4.39 -1.28 -3.06 114.58 117.72 1j8c h GLU 59 Ca 0.40 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 1j8c h GLU 59 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1j8c h GLU 59 CO -0.14 0.07 -0.02 0.00 -1.16 0.00 0.00 179.01 177.75 1j8c h ALA 60 N 1.93 -0.07 -0.52 3.43 0.00 -0.48 -2.94 119.26 120.62 1j8c h ALA 60 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1j8c h ALA 60 Cb 0.76 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1j8c h ALA 60 CO 0.01 -0.37 0.15 0.82 0.00 0.00 0.00 179.25 179.87 1j8c h ILE 61 N -0.41 1.21 -0.67 0.00 2.04 -1.52 -2.66 117.51 115.50 1j8c h ILE 61 Ca -0.01 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.24 1j8c h ILE 61 Cb 0.37 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 1j8c h ILE 61 CO 0.01 0.27 0.28 -1.28 0.00 0.00 0.00 178.15 177.43 1j8c h SER 62 N 0.75 0.31 0.29 1.72 0.87 -1.42 0.98 113.55 117.04 1j8c h SER 62 Ca 0.17 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1j8c h SER 62 Cb 0.23 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1j8c h SER 62 CO -0.01 0.17 -0.14 0.50 -0.53 0.00 0.00 176.83 176.82 1j8c h LYS 63 N 0.47 -0.37 0.16 2.24 3.64 -1.30 0.21 116.57 121.62 1j8c h LYS 63 Ca 0.34 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1j8c h LYS 63 Cb 0.42 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1j8c h LYS 63 CO -0.31 -0.03 -0.08 -0.09 -2.27 0.00 0.00 179.45 176.67 1j8c h ARG 64 N -0.79 -0.21 -0.31 1.90 2.43 -1.32 -3.31 114.38 112.77 1j8c h ARG 64 Ca -0.04 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1j8c h ARG 64 Cb 0.51 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1j8c h ARG 64 CO 0.06 0.23 -0.30 0.74 -1.51 0.00 0.00 179.97 179.19 1j8c h PHE 65 N -0.86 0.75 -3.95 2.20 0.04 0.84 -3.49 116.94 112.48 1j8c h PHE 65 Ca -0.02 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1j8c h PHE 65 Cb 0.53 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1j8c h PHE 65 CO 0.09 0.87 -0.19 1.17 -0.60 0.00 0.00 178.31 179.65 1j8c n LYS 66 N -4.08 -0.96 0.00 1.51 3.00 0.74 -4.99 118.16 113.37 1j8c n LYS 66 Ca -0.01 1.16 0.00 0.00 -0.00 0.00 0.00 58.31 59.46 1j8c n LYS 66 Cb 0.46 -3.24 0.00 0.00 0.00 0.00 0.00 35.03 32.25 1j8c n LYS 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1j8c n SER 67 N -0.49 0.15 0.05 3.14 2.88 -1.22 -5.04 113.62 113.10 1j8c n SER 67 Ca 0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 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 0.45 0.00 -1.46 6.02 -1.26 -4.96 117.38 116.17 1j8c n GLN 68 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1j8c n GLN 68 Cb 0.00 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.58 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 -2.27 0.00 0.20 5.09 -1.04 -1.26 -4.24 114.28 110.76 1j8c n THR 69 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1j8c n THR 69 Cb 0.50 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.92 0.66 8.00 1.82 -1.95 -2.45 116.42 121.58 1j8c h ASP 70 Ca 0.00 0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1j8c h ASP 70 Cb 0.00 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1j8c h ASP 70 CO 0.00 -0.45 -0.24 1.56 -1.61 0.00 0.00 179.24 178.51 1j8c h GLN 71 N -0.68 0.00 -5.39 0.28 4.20 -1.80 -3.42 115.11 108.30 1j8c h GLN 71 Ca -0.04 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.38 1j8c h GLN 71 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1j8c h GLN 71 CO -0.04 0.24 1.07 -0.11 -0.67 0.00 0.00 178.83 179.32 1j8c n LEU 72 N -3.58 1.59 -4.38 1.46 7.94 -0.93 -1.40 117.00 117.71 1j8c n LEU 72 Ca -0.01 -0.82 -0.24 0.00 -1.11 0.00 0.00 56.01 53.83 1j8c n LEU 72 Cb 0.38 -1.46 -0.11 0.00 0.53 0.00 0.00 43.42 42.75 1j8c n LEU 72 CO 0.33 -1.89 -0.51 -0.69 -1.11 0.00 0.00 177.39 173.53 1j8c s VAL 73 N 11.87 2.09 -0.03 1.96 1.01 -1.02 -4.82 120.40 131.46 1j8c s VAL 73 Ca 1.03 -1.97 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1j8c s VAL 73 Cb -0.33 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1j8c s VAL 73 CO 0.24 -0.21 -0.16 -0.76 0.00 0.00 0.00 175.10 174.22 1j8c s LEU 74 N -2.65 2.65 -0.63 3.92 1.02 -1.12 -1.20 118.68 120.68 1j8c s LEU 74 Ca 0.18 -0.27 -0.19 0.00 0.02 0.00 0.00 54.13 53.88 1j8c s LEU 74 Cb -0.07 -1.54 0.11 0.00 0.02 0.00 0.00 46.19 44.72 1j8c s LEU 74 CO 0.08 0.32 0.74 -0.63 0.02 0.00 0.00 176.35 176.88 1j8c s ILE 75 N -0.77 4.87 -0.78 -0.59 -1.09 0.20 0.13 121.20 123.16 1j8c s ILE 75 Ca 0.12 -1.14 -0.23 0.00 -2.23 0.00 0.00 60.65 57.17 1j8c s ILE 75 Cb -0.11 -4.51 -0.17 0.00 -1.58 0.00 0.00 42.46 36.09 1j8c s ILE 75 CO 0.02 -1.15 1.89 0.33 -1.23 0.00 0.00 174.94 174.80 1j8c n PHE 76 N 6.19 1.81 -3.78 3.97 7.35 -0.86 -2.67 117.46 129.47 1j8c n PHE 76 Ca -0.06 -1.52 -0.29 0.00 -0.76 0.00 0.00 57.45 54.82 1j8c n PHE 76 Cb 0.43 -1.83 0.00 0.00 0.35 0.00 0.00 39.48 38.44 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 9.65 -1.19 0.00 3.13 0.00 -1.26 -2.16 120.51 128.68 1j8c n ALA 77 Ca 0.48 0.12 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1j8c n ALA 77 Cb 0.42 -3.72 0.00 0.00 0.00 0.00 0.00 19.45 16.15 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 -1.45 3.61 0.00 0.00 0.00 -1.26 -5.09 105.19 101.00 1j8c n GLY 78 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.77 -3.81 1.61 4.01 -0.92 -5.02 118.16 114.81 1j8c n LYS 79 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 1j8c n LYS 79 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 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 -0.14 1.65 -0.84 -0.18 -5.25 -1.26 -2.02 121.20 113.15 1j8c s ILE 80 Ca 0.00 -2.41 -0.25 0.00 -0.99 0.00 0.00 60.65 56.99 1j8c s ILE 80 Cb 0.00 -2.18 -0.10 0.00 2.95 0.00 0.00 42.46 43.13 1j8c s ILE 80 CO 0.00 -0.78 2.22 -0.22 -1.79 0.00 0.00 174.94 174.37 1j8c s LEU 81 N 0.60 2.97 0.00 0.37 0.20 0.34 -4.60 118.68 118.56 1j8c s LEU 81 Ca 0.15 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.70 1j8c s LEU 81 Cb -0.22 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.98 1j8c s LEU 81 CO -0.06 -3.45 0.00 1.17 -0.29 0.00 0.00 176.35 173.72 1j8c n LYS 82 N 8.82 0.00 0.25 1.98 4.81 -1.26 -2.78 118.16 129.98 1j8c n LYS 82 Ca 0.44 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 58.04 1j8c n LYS 82 Cb 0.45 0.00 0.55 0.00 0.02 0.00 0.00 35.03 36.05 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 -0.64 3.14 3.04 -1.87 -3.01 116.42 117.08 1j8c h ASP 83 Ca 0.00 0.00 0.13 0.00 -3.24 0.00 0.00 57.03 53.92 1j8c h ASP 83 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 1j8c h ASP 83 CO 0.00 0.00 0.43 -0.61 -2.04 0.00 0.00 179.24 177.02 1j8c h GLN 84 N 0.00 0.31 -3.40 4.15 5.75 -1.95 -3.43 115.11 116.55 1j8c h GLN 84 Ca 0.00 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 1j8c h GLN 84 Cb 0.62 -0.07 -0.21 0.00 1.07 0.00 0.00 27.48 28.89 1j8c h GLN 84 CO 0.00 0.20 -0.45 -0.51 -2.65 0.00 0.00 178.83 175.43 1j8c s ASP 85 N -6.13 -0.04 0.75 -0.69 1.01 -1.14 -5.16 116.67 105.27 1j8c s ASP 85 Ca -0.07 -0.10 -0.11 0.00 0.71 0.00 0.00 52.55 52.98 1j8c s ASP 85 Cb 0.20 0.24 0.04 0.00 1.01 0.00 0.00 42.92 44.41 1j8c s ASP 85 CO 0.75 -0.36 1.08 0.42 0.21 0.00 0.00 175.17 177.27 1j8c s THR 86 N -1.24 3.58 0.09 -1.27 -4.23 -1.26 -4.31 115.64 107.00 1j8c s THR 86 Ca -0.13 0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 60.70 1j8c s THR 86 Cb -0.07 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 1j8c s THR 86 CO 0.02 -0.67 1.54 0.25 -0.54 0.00 0.00 174.62 175.22 1j8c h LEU 87 N -0.92 0.40 -1.83 4.79 5.85 -1.87 -0.73 115.31 120.99 1j8c h LEU 87 Ca -0.45 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1j8c h LEU 87 Cb 1.23 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1j8c h LEU 87 CO 0.57 0.57 0.00 0.16 -0.34 0.00 0.00 178.44 179.40 1j8c h ILE 88 N 0.20 0.00 0.00 4.05 -0.00 -1.76 0.40 117.51 120.41 1j8c h ILE 88 Ca 0.07 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.70 1j8c h ILE 88 Cb 0.36 1.11 0.00 0.00 -0.00 0.00 0.00 36.82 38.29 1j8c h ILE 88 CO 0.01 0.00 -0.90 1.67 -0.00 0.00 0.00 178.15 178.93 1j8c n GLN 89 N -2.83 0.05 0.00 0.16 7.27 -0.87 -4.87 117.38 116.29 1j8c n GLN 89 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1j8c n GLN 89 Cb 0.18 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1j8c n GLN 89 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1j8c n HIS 90 N -1.56 0.00 0.07 3.69 8.25 -0.36 -4.87 115.22 120.44 1j8c n HIS 90 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 1j8c n HIS 90 Cb 0.35 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.11 -1.71 -1.41 0.00 -0.45 -3.46 103.07 95.92 1j8c h GLY 91 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 47.33 47.18 1j8c h GLY 91 CO 0.00 -0.07 -0.13 -0.26 0.00 0.00 0.00 176.54 176.08 1j8c s ILE 92 N -6.17 0.00 0.00 2.60 -5.25 0.13 -4.90 121.20 107.61 1j8c s ILE 92 Ca -0.14 -1.51 0.00 0.00 -0.99 0.00 0.00 60.65 58.01 1j8c s ILE 92 Cb 0.07 -2.61 0.00 0.00 2.95 0.00 0.00 42.46 42.87 1j8c s ILE 92 CO 0.66 0.00 0.00 1.41 -1.79 0.00 0.00 174.94 175.22 1j8c n HIS 93 N -0.53 0.00 -2.04 1.37 8.25 -1.26 -3.97 115.22 117.04 1j8c n HIS 93 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1j8c n HIS 93 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 1j8c n HIS 93 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1j8c n ASP 94 N -1.55 -0.03 0.00 0.41 5.68 -1.26 -4.97 116.55 114.82 1j8c n ASP 94 Ca 0.00 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1j8c n ASP 94 Cb 0.33 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.02 0.60 0.00 6.12 0.00 -0.71 -4.45 105.19 106.73 1j8c n GLY 95 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1j8c n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8c n LEU 96 N 0.00 0.00 -3.87 0.99 4.77 -1.25 -4.84 117.00 112.80 1j8c n LEU 96 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1j8c n LEU 96 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1j8c n LEU 96 CO 0.00 -0.46 -0.42 -0.89 -1.33 0.00 0.00 177.39 174.28 1j8c s THR 97 N 0.88 0.82 0.25 -5.08 2.01 -1.26 -2.07 115.64 111.17 1j8c s THR 97 Ca 0.00 -0.17 0.12 0.00 0.31 0.00 0.00 61.69 61.94 1j8c s THR 97 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 1j8c s THR 97 CO 0.00 0.33 -0.20 0.54 -0.69 0.00 0.00 174.62 174.60 1j8c s VAL 98 N 1.66 2.52 0.11 3.82 0.11 -1.09 -4.74 120.40 122.79 1j8c s VAL 98 Ca 0.03 -2.24 -0.15 0.00 -2.93 0.00 0.00 61.98 56.69 1j8c s VAL 98 Cb -0.13 -2.28 -0.07 0.00 -1.53 0.00 0.00 36.38 32.37 1j8c s VAL 98 CO -0.06 -0.30 0.53 -1.00 -3.33 0.00 0.00 175.10 170.94 1j8c s HIS 99 N -2.20 3.66 -0.21 1.54 3.76 -1.09 -3.20 115.29 117.54 1j8c s HIS 99 Ca 0.27 1.08 -0.03 0.00 -0.15 0.00 0.00 55.06 56.22 1j8c s HIS 99 Cb -0.06 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 1j8c s HIS 99 CO 0.14 0.49 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.28 1j8c s LEU 100 N -1.70 2.85 -0.10 0.89 0.20 -0.98 0.58 118.68 120.42 1j8c s LEU 100 Ca 0.34 -0.39 -0.13 0.00 0.69 0.00 0.00 54.13 54.64 1j8c s LEU 100 Cb -0.16 -1.71 0.03 0.00 -0.43 0.00 0.00 46.19 43.92 1j8c s LEU 100 CO 0.18 0.01 0.35 0.68 -0.29 0.00 0.00 176.35 177.28 1j8c s VAL 101 N 1.31 0.02 0.12 1.68 -7.23 -0.34 -4.75 120.40 111.21 1j8c s VAL 101 Ca 0.04 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.77 1j8c s VAL 101 Cb -0.14 -0.54 -0.06 0.00 0.56 0.00 0.00 36.38 36.20 1j8c s VAL 101 CO -0.03 -0.07 1.01 0.27 -0.31 0.00 0.00 175.10 175.97 1j8c s ILE 102 N -0.26 4.31 -0.61 -0.62 -0.00 -1.26 -2.44 121.20 120.32 1j8c s ILE 102 Ca -0.04 1.92 0.05 0.00 -0.00 0.00 0.00 60.65 62.58 1j8c s ILE 102 Cb -0.03 -4.23 0.04 0.00 -0.00 0.00 0.00 42.46 38.24 1j8c s ILE 102 CO 0.02 0.29 0.66 0.29 -0.00 0.00 0.00 174.94 176.20