#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu8 s SER 3 N 0.00 4.85 0.87 3.54 0.01 -1.26 -4.96 113.70 116.74 3iu8 s SER 3 Ca 0.00 -0.83 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 3iu8 s SER 3 Cb 0.00 -0.60 0.06 0.00 0.21 0.00 0.00 66.02 65.70 3iu8 s SER 3 CO 0.00 -0.56 0.83 -1.14 0.41 0.00 0.00 173.24 172.78 3iu8 n ARG 4 N -1.40 -0.09 -1.53 12.44 0.63 -1.26 -5.06 116.66 120.39 3iu8 n ARG 4 Ca 0.01 0.04 -0.08 0.00 -0.92 0.00 0.00 57.85 56.89 3iu8 n ARG 4 Cb 0.62 -2.14 0.04 0.00 0.45 0.00 0.00 32.46 31.43 3iu8 n ARG 4 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3iu8 n THR 5 N -3.46 0.00 -1.63 5.15 -2.24 -1.26 -5.03 114.28 105.81 3iu8 n THR 5 Ca 0.10 -0.67 -0.47 0.00 -2.27 0.00 0.00 64.05 60.75 3iu8 n THR 5 Cb 0.52 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 3iu8 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iu8 n ALA 6 N -2.87 0.28 -1.52 6.98 0.00 -1.26 -4.96 120.51 117.16 3iu8 n ALA 6 Ca -0.06 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 3iu8 n ALA 6 Cb 0.23 -2.17 0.04 0.00 0.00 0.00 0.00 19.45 17.55 3iu8 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iu8 s LEU 7 N 0.40 3.35 0.15 0.00 1.43 -1.26 -5.10 118.68 117.66 3iu8 s LEU 7 Ca 0.72 1.91 0.07 0.00 -1.03 0.00 0.00 54.13 55.80 3iu8 s LEU 7 Cb -0.75 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 40.89 3iu8 s LEU 7 CO 0.50 -1.56 -0.14 -0.44 0.23 0.00 0.00 176.35 174.93 3iu8 s SER 8 N -2.80 2.21 0.41 2.29 0.01 -1.26 -5.15 113.70 109.41 3iu8 s SER 8 Ca 0.65 -0.89 -0.25 0.00 1.31 0.00 0.00 55.95 56.77 3iu8 s SER 8 Cb -0.19 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 65.87 3iu8 s SER 8 CO 0.43 -0.15 1.25 -2.16 0.41 0.00 0.00 173.24 173.01 3iu8 s PRO 9 N -3.02 3.95 0.00 12.44 0.04 -1.26 -4.98 135.00 142.17 3iu8 s PRO 9 Ca 0.14 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3iu8 s PRO 9 Cb -0.03 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3iu8 s PRO 9 CO 0.04 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3iu8 n GLY 10 N 0.65 3.66 3.63 0.56 0.00 -1.26 -5.05 105.19 107.39 3iu8 n GLY 10 Ca 0.04 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 3iu8 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu8 s VAL 11 N 2.07 3.73 0.14 1.61 0.11 -1.26 -4.79 120.40 122.01 3iu8 s VAL 11 Ca 0.00 -1.02 -0.11 0.00 -2.93 0.00 0.00 61.98 57.92 3iu8 s VAL 11 Cb 0.00 -2.73 -0.06 0.00 -1.53 0.00 0.00 36.38 32.06 3iu8 s VAL 11 CO 0.00 0.19 0.49 -0.76 -3.33 0.00 0.00 175.10 171.68 3iu8 s LEU 12 N -2.05 4.30 0.86 2.54 1.43 -1.26 -1.45 118.68 123.04 3iu8 s LEU 12 Ca 0.22 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 3iu8 s LEU 12 Cb -0.11 -3.27 0.10 0.00 0.03 0.00 0.00 46.19 42.94 3iu8 s LEU 12 CO 0.14 0.08 1.09 -0.94 0.23 0.00 0.00 176.35 176.96 3iu8 s SER 13 N -1.93 3.88 0.85 2.29 1.04 -1.26 -5.01 113.70 113.56 3iu8 s SER 13 Ca 0.39 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 58.12 3iu8 s SER 13 Cb -0.14 -2.13 0.07 0.00 0.10 0.00 0.00 66.02 63.93 3iu8 s SER 13 CO 0.20 -2.37 0.93 -2.65 0.98 0.00 0.00 173.24 170.33 3iu8 n PRO 14 N -3.70 -0.06 -1.74 4.02 -0.02 -1.26 -4.90 135.00 127.34 3iu8 n PRO 14 Ca 0.07 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 3iu8 n PRO 14 Cb 0.56 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3iu8 n PRO 14 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3iu8 n THR 15 N -3.48 0.95 -2.97 3.45 -1.04 -1.26 -4.96 114.28 104.97 3iu8 n THR 15 Ca 0.11 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.48 3iu8 n THR 15 Cb 0.51 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 3iu8 n THR 15 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3iu8 s ARG 16 N -0.40 4.49 0.51 -2.82 0.52 -1.26 -5.03 118.95 114.96 3iu8 s ARG 16 Ca 0.65 1.05 -0.14 0.00 -0.52 0.00 0.00 55.73 56.77 3iu8 s ARG 16 Cb -0.51 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 31.49 3iu8 s ARG 16 CO 0.48 0.18 0.95 -1.25 0.02 0.00 0.00 175.30 175.68 3iu8 s PRO 17 N 0.30 3.86 -0.10 3.54 0.04 -1.26 -5.08 135.00 136.30 3iu8 s PRO 17 Ca 0.40 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.30 3iu8 s PRO 17 Cb -0.20 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.18 3iu8 s PRO 17 CO 0.22 -0.28 -0.21 0.08 0.04 0.00 0.00 177.00 176.86 3iu8 s VAL 18 N -2.68 1.83 0.47 -0.36 1.01 -1.26 -5.07 120.40 114.34 3iu8 s VAL 18 Ca 0.57 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 3iu8 s VAL 18 Cb -0.10 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 3iu8 s VAL 18 CO 0.35 0.51 0.96 -2.65 0.00 0.00 0.00 175.10 174.27 3iu8 n PRO 19 N 3.73 1.18 0.24 2.72 -0.02 -1.26 -4.86 135.00 136.73 3iu8 n PRO 19 Ca -0.20 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3iu8 n PRO 19 Cb 0.52 -2.04 0.62 0.00 -0.02 0.00 0.00 33.50 32.58 3iu8 n PRO 19 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3iu8 h ASN 20 N 1.19 0.00 0.39 2.55 2.35 -2.04 -2.18 115.58 117.85 3iu8 h ASN 20 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3iu8 h ASN 20 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 3iu8 h ASN 20 CO 0.55 0.17 0.00 -2.67 -1.65 0.00 0.00 177.43 173.83 3iu8 n TRP 21 N -3.88 0.40 -2.86 1.19 4.27 -1.26 -4.57 117.44 110.72 3iu8 n TRP 21 Ca -0.02 0.17 -0.42 0.00 -3.89 0.00 0.00 57.50 53.34 3iu8 n TRP 21 Cb 0.26 -0.78 -0.04 0.00 -1.36 0.00 0.00 31.31 29.39 3iu8 n TRP 21 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3iu8 s ILE 22 N -3.20 4.70 0.29 -1.67 1.01 -0.82 -5.03 121.20 116.47 3iu8 s ILE 22 Ca 0.03 1.26 -0.30 0.00 0.00 0.00 0.00 60.65 61.65 3iu8 s ILE 22 Cb 0.07 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 3iu8 s ILE 22 CO 0.25 -0.36 1.45 0.00 0.00 0.00 0.00 174.94 176.27 3iu8 s ALA 23 N 3.18 3.62 0.24 9.38 0.00 -1.26 -4.96 121.76 131.96 3iu8 s ALA 23 Ca 0.36 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 3iu8 s ALA 23 Cb -0.13 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 3iu8 s ALA 23 CO 0.14 -0.80 0.69 1.03 0.00 0.00 0.00 175.76 176.82 3iu8 s ARG 24 N -0.84 4.12 0.78 0.00 3.00 -1.26 -4.63 118.95 120.12 3iu8 s ARG 24 Ca 0.57 0.73 -0.13 0.00 0.00 0.00 0.00 55.73 56.90 3iu8 s ARG 24 Cb -0.43 -2.76 0.07 0.00 0.00 0.00 0.00 34.95 31.82 3iu8 s ARG 24 CO 0.48 0.34 1.15 -2.14 0.00 0.00 0.00 175.30 175.13 3iu8 s PRO 25 N -2.27 1.95 0.58 3.54 0.02 -1.26 -4.89 135.00 132.68 3iu8 s PRO 25 Ca 0.45 1.52 0.28 0.00 0.02 0.00 0.00 61.00 63.27 3iu8 s PRO 25 Cb -0.14 -1.84 1.73 0.00 0.02 0.00 0.00 34.50 34.27 3iu8 s PRO 25 CO 0.20 -1.93 2.23 1.05 -0.33 0.00 0.00 177.00 178.22 3iu8 h GLU 26 N -0.86 0.00 -0.00 5.54 -0.00 -1.97 -2.82 114.58 114.46 3iu8 h GLU 26 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 3iu8 h GLU 26 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 3iu8 h GLU 26 CO 0.48 0.01 -0.13 2.48 -0.00 0.00 0.00 179.01 181.85 3iu8 n TYR 27 N -3.92 0.00 -2.27 2.06 0.18 -1.26 -4.77 117.16 107.18 3iu8 n TYR 27 Ca -0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.33 3iu8 n TYR 27 Cb 0.09 -0.16 -0.03 0.00 -0.38 0.00 0.00 39.34 38.86 3iu8 n TYR 27 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3iu8 s VAL 28 N -2.46 3.85 0.00 -3.48 1.01 -1.07 -1.68 120.40 116.57 3iu8 s VAL 28 Ca 0.28 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3iu8 s VAL 28 Cb 0.20 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3iu8 s VAL 28 CO 0.48 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3iu8 n GLY 29 N 3.61 0.74 3.54 4.51 0.00 -1.26 -5.05 105.19 111.28 3iu8 n GLY 29 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3iu8 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu8 s LYS 30 N -0.55 1.94 0.32 1.61 1.02 -0.68 -5.06 119.74 118.34 3iu8 s LYS 30 Ca 0.00 -1.40 0.16 0.00 0.02 0.00 0.00 55.97 54.75 3iu8 s LYS 30 Cb 0.00 -2.05 0.43 0.00 -0.52 0.00 0.00 37.83 35.69 3iu8 s LYS 30 CO 0.00 0.40 1.62 -1.00 -0.92 0.00 0.00 175.35 175.45 3iu8 h PRO 31 N 2.73 0.00 0.00 -1.68 0.13 -1.96 -3.42 132.00 127.80 3iu8 h PRO 31 Ca -0.45 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 3iu8 h PRO 31 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 3iu8 h PRO 31 CO 0.55 0.48 -0.30 0.00 -0.23 0.00 0.00 178.00 178.50 3iu8 n ALA 32 N -2.30 0.37 -2.36 -0.56 0.00 -1.26 -4.48 120.51 109.92 3iu8 n ALA 32 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 53.44 51.80 3iu8 n ALA 32 Cb 0.61 0.90 -0.15 0.00 0.00 0.00 0.00 19.45 20.81 3iu8 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iu8 s ALA 33 N -2.71 2.20 -0.99 0.00 0.00 -1.26 -4.75 121.76 114.25 3iu8 s ALA 33 Ca 0.13 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 3iu8 s ALA 33 Cb 0.01 -0.46 0.09 0.00 0.00 0.00 0.00 23.12 22.76 3iu8 s ALA 33 CO 0.09 0.52 1.30 -0.65 0.00 0.00 0.00 175.76 177.02 3iu8 s GLN 34 N -1.24 3.61 0.11 0.00 -0.21 -1.26 -4.94 119.66 115.72 3iu8 s GLN 34 Ca 0.11 -1.46 -0.25 0.00 0.02 0.00 0.00 55.36 53.78 3iu8 s GLN 34 Cb -0.10 -5.15 0.08 0.00 1.00 0.00 0.00 33.01 28.84 3iu8 s GLN 34 CO 0.02 -2.00 0.73 -1.83 -2.12 0.00 0.00 175.29 170.09 3iu8 s GLU 35 N 3.83 1.14 0.00 2.91 -1.05 -1.26 -4.95 118.70 119.33 3iu8 s GLU 35 Ca 0.40 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 3iu8 s GLU 35 Cb -0.02 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 3iu8 s GLU 35 CO -0.09 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.03 3iu8 n GLY 36 N -0.34 0.74 0.98 -3.83 0.00 -0.94 -4.90 105.19 96.88 3iu8 n GLY 36 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 3iu8 n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iu8 n SER 37 N 0.00 1.04 -4.94 1.61 3.41 -1.07 -4.06 113.62 109.62 3iu8 n SER 37 Ca 0.00 -2.48 -0.25 0.00 -0.26 0.00 0.00 58.87 55.88 3iu8 n SER 37 Cb 0.00 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 3iu8 n SER 37 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3iu8 s GLU 38 N -0.90 3.50 0.63 4.33 8.01 -1.05 -5.08 118.70 128.14 3iu8 s GLU 38 Ca 0.27 -0.40 -0.19 0.00 0.01 0.00 0.00 54.97 54.67 3iu8 s GLU 38 Cb 0.29 -2.80 -0.02 0.00 -4.31 0.00 0.00 34.13 27.30 3iu8 s GLU 38 CO -0.10 0.34 1.30 -2.14 0.01 0.00 0.00 175.26 174.67 3iu8 s PRO 39 N -3.69 2.66 -0.02 0.39 0.02 -1.26 -4.83 135.00 128.26 3iu8 s PRO 39 Ca 0.38 2.09 0.15 0.00 0.02 0.00 0.00 61.00 63.64 3iu8 s PRO 39 Cb -0.10 -1.91 -0.20 0.00 0.02 0.00 0.00 34.50 32.30 3iu8 s PRO 39 CO 0.31 -1.52 0.67 0.91 -0.33 0.00 0.00 177.00 177.03 3iu8 n TRP 40 N -1.75 0.89 -3.24 6.54 8.01 -1.26 -4.82 117.44 121.81 3iu8 n TRP 40 Ca 0.15 0.31 -0.39 0.00 -1.31 0.00 0.00 57.50 56.27 3iu8 n TRP 40 Cb 0.48 -1.12 -0.06 0.00 -2.01 0.00 0.00 31.31 28.60 3iu8 n TRP 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3iu8 s VAL 41 N -2.73 5.05 0.13 -0.99 1.01 -1.26 -3.54 120.40 118.08 3iu8 s VAL 41 Ca -0.04 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.09 3iu8 s VAL 41 Cb 0.08 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3iu8 s VAL 41 CO 0.82 0.37 0.26 -1.10 0.00 0.00 0.00 175.10 175.45 3iu8 s GLN 42 N 0.22 3.41 0.65 2.72 -1.52 0.29 -4.94 119.66 120.49 3iu8 s GLN 42 Ca 0.30 -0.58 -0.15 0.00 -1.95 0.00 0.00 55.36 52.97 3iu8 s GLN 42 Cb -0.17 -2.96 -0.00 0.00 -0.22 0.00 0.00 33.01 29.66 3iu8 s GLN 42 CO 0.14 0.53 1.11 0.95 -0.25 0.00 0.00 175.29 177.78 3iu8 s THR 43 N -1.70 3.23 0.35 -0.19 -4.23 -1.26 -4.80 115.64 107.05 3iu8 s THR 43 Ca 0.34 0.58 0.08 0.00 -1.18 0.00 0.00 61.69 61.52 3iu8 s THR 43 Cb -0.11 -3.11 0.32 0.00 1.34 0.00 0.00 72.50 70.94 3iu8 s THR 43 CO 0.28 -0.35 1.87 -0.65 -0.54 0.00 0.00 174.62 175.24 3iu8 h PRO 44 N 0.09 0.69 -0.34 3.99 0.11 -1.99 -0.35 132.00 134.20 3iu8 h PRO 44 Ca -0.47 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 3iu8 h PRO 44 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3iu8 h PRO 44 CO 0.54 0.45 -0.32 0.93 -0.21 0.00 0.00 178.00 179.40 3iu8 h GLU 45 N 0.71 0.82 -0.35 1.05 3.07 -2.00 -1.27 114.58 116.61 3iu8 h GLU 45 Ca 0.44 -0.42 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3iu8 h GLU 45 Cb 0.68 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 3iu8 h GLU 45 CO -0.20 1.06 0.17 0.28 -1.40 0.00 0.00 179.01 178.92 3iu8 h VAL 46 N 0.60 1.16 -0.87 3.13 2.07 -1.78 -2.65 116.25 117.91 3iu8 h VAL 46 Ca 0.06 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3iu8 h VAL 46 Cb 0.90 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3iu8 h VAL 46 CO 0.08 0.17 0.58 0.40 0.02 0.00 0.00 177.57 178.82 3iu8 h ILE 47 N 0.43 1.21 -0.89 4.57 2.04 -0.89 0.21 117.51 124.20 3iu8 h ILE 47 Ca 0.12 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3iu8 h ILE 47 Cb 0.12 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 3iu8 h ILE 47 CO -0.02 0.21 0.52 -0.08 0.00 0.00 0.00 178.15 178.79 3iu8 h GLU 48 N 1.17 1.21 -0.24 2.37 4.57 -1.13 -1.11 114.58 121.43 3iu8 h GLU 48 Ca 0.32 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 58.28 3iu8 h GLU 48 Cb -0.12 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.21 3iu8 h GLU 48 CO -0.08 0.86 -0.30 0.87 -1.18 0.00 0.00 179.01 179.19 3iu8 h LYS 49 N 1.23 0.48 -0.00 1.92 1.57 -0.97 -2.87 116.57 117.91 3iu8 h LYS 49 Ca 0.32 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3iu8 h LYS 49 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3iu8 h LYS 49 CO -0.06 0.73 -0.41 0.52 -0.57 0.00 0.00 179.45 179.67 3iu8 h MET 50 N 0.41 0.00 -0.82 3.15 2.86 -0.40 -0.94 114.93 119.19 3iu8 h MET 50 Ca 0.05 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3iu8 h MET 50 Cb 0.74 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 3iu8 h MET 50 CO 0.06 0.41 0.51 0.00 1.06 0.00 0.00 176.91 178.95 3iu8 h ARG 51 N 0.00 0.93 0.46 1.72 3.08 -1.00 0.12 114.38 119.69 3iu8 h ARG 51 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3iu8 h ARG 51 Cb 0.72 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3iu8 h ARG 51 CO 0.05 0.61 -0.22 0.28 -1.07 0.00 0.00 179.97 179.62 3iu8 h VAL 52 N 0.95 0.50 -0.81 2.04 2.07 -1.36 -1.69 116.25 117.95 3iu8 h VAL 52 Ca 0.35 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3iu8 h VAL 52 Cb 0.11 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 3iu8 h VAL 52 CO -0.15 0.06 0.45 0.00 0.02 0.00 0.00 177.57 177.94 3iu8 h ALA 53 N -0.41 1.15 -0.54 1.67 0.00 -1.15 -1.79 119.26 118.19 3iu8 h ALA 53 Ca -0.06 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3iu8 h ALA 53 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3iu8 h ALA 53 CO 0.10 0.05 -0.12 0.78 0.00 0.00 0.00 179.25 180.07 3iu8 h GLY 54 N 0.74 1.13 1.34 0.00 0.00 -0.73 -0.88 103.07 104.68 3iu8 h GLY 54 Ca 0.40 -0.92 -0.20 0.00 0.00 0.00 0.00 47.33 46.61 3iu8 h GLY 54 CO -0.26 0.84 -0.73 -0.09 0.00 0.00 0.00 176.54 176.29 3iu8 h ARG 55 N 0.92 0.65 -0.53 4.80 2.43 -0.85 -0.06 114.38 121.74 3iu8 h ARG 55 Ca 0.14 -0.51 0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3iu8 h ARG 55 Cb 0.69 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 3iu8 h ARG 55 CO 0.05 1.13 0.35 0.82 -1.51 0.00 0.00 179.97 180.81 3iu8 h ILE 56 N 0.45 1.11 -0.64 1.20 2.04 -1.23 -1.56 117.51 118.89 3iu8 h ILE 56 Ca -0.04 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3iu8 h ILE 56 Cb 1.34 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3iu8 h ILE 56 CO 0.14 0.13 0.30 0.00 0.00 0.00 0.00 178.15 178.72 3iu8 h ALA 57 N 1.21 0.83 -0.38 1.87 0.00 -0.95 -0.70 119.26 121.14 3iu8 h ALA 57 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iu8 h ALA 57 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3iu8 h ALA 57 CO -0.06 0.40 0.25 0.00 0.00 0.00 0.00 179.25 179.84 3iu8 h ALA 58 N 1.13 1.73 -0.12 0.00 0.00 -0.80 -0.98 119.26 120.23 3iu8 h ALA 58 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3iu8 h ALA 58 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3iu8 h ALA 58 CO -0.03 0.25 -0.14 0.78 0.00 0.00 0.00 179.25 180.11 3iu8 h GLY 59 N 0.51 0.33 0.96 0.00 0.00 -0.54 -1.04 103.07 103.30 3iu8 h GLY 59 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3iu8 h GLY 59 CO -0.03 0.32 0.17 0.00 0.00 0.00 0.00 176.54 177.00 3iu8 h ALA 60 N 0.58 0.39 -1.00 3.60 0.00 -0.70 -1.15 119.26 120.98 3iu8 h ALA 60 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3iu8 h ALA 60 Cb 0.68 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3iu8 h ALA 60 CO 0.03 -0.08 0.66 1.25 0.00 0.00 0.00 179.25 181.11 3iu8 h LEU 61 N 0.38 1.10 -0.45 0.00 5.85 -1.16 -1.24 115.31 119.79 3iu8 h LEU 61 Ca 0.11 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 3iu8 h LEU 61 Cb 0.05 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3iu8 h LEU 61 CO -0.02 0.76 -0.32 0.00 -0.34 0.00 0.00 178.44 178.52 3iu8 h ALA 62 N 1.40 0.63 -0.14 1.25 0.00 -0.83 0.29 119.26 121.87 3iu8 h ALA 62 Ca 0.39 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3iu8 h ALA 62 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3iu8 h ALA 62 CO -0.12 0.68 -0.33 0.93 0.00 0.00 0.00 179.25 180.40 3iu8 h GLU 63 N 0.80 0.47 -0.56 0.00 4.39 -1.11 0.54 114.58 119.11 3iu8 h GLU 63 Ca 0.08 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 3iu8 h GLU 63 Cb 0.90 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 3iu8 h GLU 63 CO 0.08 0.93 0.12 0.00 -1.16 0.00 0.00 179.01 178.99 3iu8 h ALA 64 N 0.54 0.74 -0.74 3.43 0.00 -1.20 -3.03 119.26 118.99 3iu8 h ALA 64 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3iu8 h ALA 64 Cb 0.94 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3iu8 h ALA 64 CO 0.07 0.45 0.45 0.78 0.00 0.00 0.00 179.25 181.00 3iu8 h GLY 65 N 0.80 1.09 0.89 0.00 0.00 -0.29 -1.14 103.07 104.41 3iu8 h GLY 65 Ca 0.17 -0.32 0.15 0.00 0.00 0.00 0.00 47.33 47.33 3iu8 h GLY 65 CO 0.01 0.23 0.41 1.70 0.00 0.00 0.00 176.54 178.89 3iu8 h LYS 66 N 0.84 0.12 -0.00 4.80 3.64 -0.79 -1.26 116.57 123.92 3iu8 h LYS 66 Ca 0.32 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3iu8 h LYS 66 Cb 0.12 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3iu8 h LYS 66 CO -0.15 0.08 -0.10 0.00 -2.27 0.00 0.00 179.45 177.00 3iu8 n ALA 67 N -2.61 2.71 -2.21 5.00 0.00 -0.44 -4.86 120.51 118.10 3iu8 n ALA 67 Ca 0.11 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 3iu8 n ALA 67 Cb 0.57 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3iu8 n ALA 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iu8 s VAL 68 N -2.61 3.86 -0.12 0.00 1.01 -0.48 -4.88 120.40 117.18 3iu8 s VAL 68 Ca 0.25 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 3iu8 s VAL 68 Cb 0.20 -3.71 0.12 0.00 0.00 0.00 0.00 36.38 32.98 3iu8 s VAL 68 CO 0.50 -0.07 0.95 0.00 0.00 0.00 0.00 175.10 176.48 3iu8 s ALA 69 N 3.34 -1.90 0.29 5.51 0.00 -1.26 -4.88 121.76 122.86 3iu8 s ALA 69 Ca 0.64 1.45 -0.28 0.00 0.00 0.00 0.00 51.96 53.77 3iu8 s ALA 69 Cb -0.29 -0.42 -0.14 0.00 0.00 0.00 0.00 23.12 22.27 3iu8 s ALA 69 CO 0.24 -0.39 1.03 -2.30 0.00 0.00 0.00 175.76 174.33 3iu8 n PRO 70 N 0.56 1.38 0.00 0.00 -0.02 -1.26 -2.20 135.00 133.46 3iu8 n PRO 70 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3iu8 n PRO 70 Cb 0.59 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3iu8 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu8 n GLY 71 N 1.24 2.93 3.82 -1.23 0.00 0.10 -4.98 105.19 107.07 3iu8 n GLY 71 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3iu8 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu8 s VAL 72 N -2.59 4.81 0.41 1.61 1.01 -0.93 -4.76 120.40 119.95 3iu8 s VAL 72 Ca 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 3iu8 s VAL 72 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3iu8 s VAL 72 CO 0.00 0.52 0.64 0.42 0.00 0.00 0.00 175.10 176.68 3iu8 s THR 73 N -1.15 4.75 0.38 3.92 -4.23 -1.26 -0.66 115.64 117.40 3iu8 s THR 73 Ca 0.29 -0.33 0.11 0.00 -1.18 0.00 0.00 61.69 60.58 3iu8 s THR 73 Cb -0.18 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.02 3iu8 s THR 73 CO 0.18 -0.56 1.87 0.71 -0.54 0.00 0.00 174.62 176.28 3iu8 h THR 74 N 0.53 1.22 -0.62 3.99 1.35 -1.32 -1.64 112.91 116.42 3iu8 h THR 74 Ca -0.48 -1.02 -0.04 0.00 -0.55 0.00 0.00 66.41 64.32 3iu8 h THR 74 Cb 1.23 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 3iu8 h THR 74 CO 0.60 0.30 0.23 -0.78 -0.25 0.00 0.00 175.52 175.62 3iu8 h ASP 75 N 0.09 0.85 -0.74 5.36 3.58 -1.38 -1.17 116.42 123.01 3iu8 h ASP 75 Ca 0.01 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.35 3iu8 h ASP 75 Cb 0.52 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 3iu8 h ASP 75 CO 0.04 0.78 0.49 -0.33 -2.88 0.00 0.00 179.24 177.34 3iu8 h GLU 76 N 0.90 0.94 -0.55 0.28 5.08 -1.57 0.11 114.58 119.77 3iu8 h GLU 76 Ca 0.21 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 3iu8 h GLU 76 Cb 0.21 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3iu8 h GLU 76 CO -0.01 0.62 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.47 3iu8 h LEU 77 N 0.97 1.03 -0.50 1.33 3.38 -1.12 -2.69 115.31 117.72 3iu8 h LEU 77 Ca 0.28 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3iu8 h LEU 77 Cb -0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3iu8 h LEU 77 CO -0.07 1.13 0.20 -0.78 0.09 0.00 0.00 178.44 179.01 3iu8 h ASP 78 N 0.92 0.69 -0.91 -0.43 3.58 -0.58 -1.28 116.42 118.41 3iu8 h ASP 78 Ca 0.15 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.47 3iu8 h ASP 78 Cb 0.65 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.47 3iu8 h ASP 78 CO 0.04 0.67 0.60 -0.09 -2.88 0.00 0.00 179.24 177.58 3iu8 h ARG 79 N 0.67 1.10 -0.15 0.28 2.43 -0.87 0.18 114.38 118.01 3iu8 h ARG 79 Ca 0.17 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3iu8 h ARG 79 Cb 0.20 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3iu8 h ARG 79 CO -0.01 0.73 -0.02 0.82 -1.51 0.00 0.00 179.97 179.97 3iu8 h ILE 80 N 1.13 1.27 0.05 1.20 2.04 -1.13 -1.42 117.51 120.66 3iu8 h ILE 80 Ca 0.37 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3iu8 h ILE 80 Cb 0.04 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3iu8 h ILE 80 CO -0.11 0.27 -0.03 0.00 0.00 0.00 0.00 178.15 178.28 3iu8 h ALA 81 N 0.73 -0.07 -0.21 1.87 0.00 -0.91 -1.38 119.26 119.29 3iu8 h ALA 81 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3iu8 h ALA 81 Cb 0.43 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3iu8 h ALA 81 CO 0.01 -0.51 -0.11 1.25 0.00 0.00 0.00 179.25 179.90 3iu8 h HIS 82 N -0.14 -0.26 -0.68 0.00 -0.00 -0.60 -1.31 115.15 112.16 3iu8 h HIS 82 Ca -0.01 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 3iu8 h HIS 82 Cb 0.12 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.65 3iu8 h HIS 82 CO -0.05 -0.17 0.23 0.93 -0.00 0.00 0.00 177.93 178.87 3iu8 h GLU 83 N -0.09 1.05 -0.64 5.26 4.39 -1.20 -0.94 114.58 122.41 3iu8 h GLU 83 Ca 0.12 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3iu8 h GLU 83 Cb 0.26 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3iu8 h GLU 83 CO -0.27 0.90 0.41 -0.92 -1.16 0.00 0.00 179.01 177.97 3iu8 h TYR 84 N 0.99 0.77 0.19 4.33 5.03 -1.01 -0.29 116.97 126.98 3iu8 h TYR 84 Ca 0.22 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.54 3iu8 h TYR 84 Cb 0.27 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.30 3iu8 h TYR 84 CO 0.02 0.46 -0.09 -0.07 -1.32 0.00 0.00 178.16 177.16 3iu8 h LEU 85 N 0.82 -0.22 -0.91 2.82 3.38 -0.88 -2.42 115.31 117.91 3iu8 h LEU 85 Ca 0.25 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3iu8 h LEU 85 Cb -0.03 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3iu8 h LEU 85 CO -0.08 0.03 -0.26 -0.37 0.09 0.00 0.00 178.44 177.85 3iu8 h VAL 86 N -0.47 1.27 0.00 1.22 -1.51 -1.16 -0.30 116.25 115.31 3iu8 h VAL 86 Ca -0.03 -1.30 -0.00 0.00 -1.23 0.00 0.00 66.70 64.15 3iu8 h VAL 86 Cb 0.36 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3iu8 h VAL 86 CO 0.04 0.41 -0.01 0.44 -1.23 0.00 0.00 177.57 177.23 3iu8 h ASP 87 N 0.44 0.00 -0.35 4.19 3.32 -1.04 -0.47 116.42 122.49 3iu8 h ASP 87 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3iu8 h ASP 87 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3iu8 h ASP 87 CO 0.05 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.17 3iu8 n ASN 88 N -3.10 2.05 -0.42 6.45 3.02 -0.55 -4.95 115.26 117.76 3iu8 n ASN 88 Ca 0.01 -2.04 -0.06 0.00 -0.03 0.00 0.00 54.58 52.46 3iu8 n ASN 88 Cb 0.32 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3iu8 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iu8 n GLY 89 N 1.00 0.77 3.69 7.41 0.00 -0.19 -5.02 105.19 112.85 3iu8 n GLY 89 Ca 0.12 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3iu8 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu8 s ALA 90 N -2.05 3.31 -0.05 4.61 0.00 -0.23 -4.83 121.76 122.52 3iu8 s ALA 90 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 3iu8 s ALA 90 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 3iu8 s ALA 90 CO 0.00 0.67 0.38 -0.47 0.00 0.00 0.00 175.76 176.33 3iu8 s TYR 91 N -1.15 3.64 -0.48 0.00 5.04 -0.08 -3.35 117.35 120.96 3iu8 s TYR 91 Ca 0.22 0.88 -0.28 0.00 -2.44 0.00 0.00 57.07 55.44 3iu8 s TYR 91 Cb -0.12 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 39.90 3iu8 s TYR 91 CO 0.13 0.51 1.36 -2.14 -1.34 0.00 0.00 175.55 174.07 3iu8 s PRO 92 N -0.56 3.50 0.41 4.97 0.02 -1.26 0.15 135.00 142.23 3iu8 s PRO 92 Ca 0.22 0.68 0.19 0.00 0.02 0.00 0.00 61.00 62.11 3iu8 s PRO 92 Cb -0.15 -4.04 1.12 0.00 0.02 0.00 0.00 34.50 31.45 3iu8 s PRO 92 CO 0.11 -1.67 1.78 0.77 -0.33 0.00 0.00 177.00 177.66 3iu8 h SER 93 N 10.53 0.42 0.61 2.53 0.02 -1.54 0.33 113.55 126.46 3iu8 h SER 93 Ca -0.26 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3iu8 h SER 93 Cb 1.09 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 3iu8 h SER 93 CO 1.13 0.09 -0.13 0.71 -1.14 0.00 0.00 176.83 177.49 3iu8 h THR 94 N 0.38 0.44 -2.63 -2.27 1.35 -1.82 -3.38 112.91 104.98 3iu8 h THR 94 Ca 0.58 -0.68 -0.54 0.00 -0.55 0.00 0.00 66.41 65.21 3iu8 h THR 94 Cb 1.50 1.48 -0.05 0.00 -1.73 0.00 0.00 68.15 69.34 3iu8 h THR 94 CO -0.27 0.13 1.17 -0.22 -0.25 0.00 0.00 175.52 176.07 3iu8 s LEU 95 N -6.88 3.39 0.00 3.87 2.96 0.10 -1.45 118.68 120.67 3iu8 s LEU 95 Ca -0.01 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 3iu8 s LEU 95 Cb 0.12 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.81 3iu8 s LEU 95 CO 0.58 -1.84 0.00 0.61 -1.32 0.00 0.00 176.35 174.39 3iu8 n GLY 96 N 5.36 0.71 3.61 7.98 0.00 0.43 -4.89 105.19 118.39 3iu8 n GLY 96 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3iu8 n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iu8 s TYR 97 N -2.39 2.78 -1.36 1.61 5.04 -0.53 -3.10 117.35 119.41 3iu8 s TYR 97 Ca 0.00 0.78 -0.10 0.00 -2.44 0.00 0.00 57.07 55.30 3iu8 s TYR 97 Cb 0.00 -4.30 0.08 0.00 0.35 0.00 0.00 41.96 38.08 3iu8 s TYR 97 CO 0.00 -1.34 0.57 1.63 -1.34 0.00 0.00 175.55 175.06 3iu8 n LYS 98 N 7.74 -3.66 -1.00 4.97 5.02 -1.26 -1.10 118.16 128.87 3iu8 n LYS 98 Ca 0.13 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 3iu8 n LYS 98 Cb 0.48 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 3iu8 n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iu8 n GLY 99 N -1.26 1.00 3.68 0.72 0.00 -1.18 -5.01 105.19 103.13 3iu8 n GLY 99 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3iu8 n GLY 99 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iu8 n PHE 100 N -2.00 2.27 1.16 1.61 7.35 -0.26 -4.70 117.46 122.89 3iu8 n PHE 100 Ca 0.00 0.36 0.12 0.00 -0.76 0.00 0.00 57.45 57.17 3iu8 n PHE 100 Cb 0.00 -2.50 0.24 0.00 0.35 0.00 0.00 39.48 37.57 3iu8 n PHE 100 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3iu8 n PRO 101 N 2.48 1.10 -2.59 -7.13 -0.04 -1.26 -0.43 135.00 127.13 3iu8 n PRO 101 Ca 0.13 -0.77 -0.07 0.00 -0.04 0.00 0.00 63.50 62.75 3iu8 n PRO 101 Cb 0.31 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 3iu8 n PRO 101 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3iu8 n LYS 102 N -0.28 1.32 0.00 0.54 4.76 -1.26 -4.81 118.16 118.43 3iu8 n LYS 102 Ca 0.12 -0.83 0.07 0.00 -2.87 0.00 0.00 58.31 54.80 3iu8 n LYS 102 Cb 0.40 0.32 0.05 0.00 -1.84 0.00 0.00 35.03 33.97 3iu8 n LYS 102 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3iu8 n SER 103 N -1.47 2.04 -3.78 4.39 7.64 -1.26 -2.75 113.62 118.43 3iu8 n SER 103 Ca -0.03 -1.52 -0.07 0.00 1.01 0.00 0.00 58.87 58.26 3iu8 n SER 103 Cb 0.15 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 3iu8 n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iu8 s THR 106 N -0.44 1.58 -0.29 0.00 -4.23 -0.14 -0.68 115.64 111.43 3iu8 s THR 106 Ca 0.08 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3iu8 s THR 106 Cb -0.12 -1.60 0.09 0.00 1.34 0.00 0.00 72.50 72.21 3iu8 s THR 106 CO 0.02 0.27 0.06 -0.44 -0.54 0.00 0.00 174.62 173.99 3iu8 s SER 107 N 1.45 4.05 0.17 3.99 0.01 0.10 -3.98 113.70 119.49 3iu8 s SER 107 Ca 0.01 -1.59 -0.18 0.00 1.31 0.00 0.00 55.95 55.50 3iu8 s SER 107 Cb -0.15 -1.05 -0.07 0.00 0.21 0.00 0.00 66.02 64.95 3iu8 s SER 107 CO -0.09 -0.37 0.64 -0.76 0.41 0.00 0.00 173.24 173.07 3iu8 s LEU 108 N 1.45 4.39 0.00 2.44 1.02 -1.26 -1.20 118.68 125.53 3iu8 s LEU 108 Ca 0.06 1.29 0.00 0.00 0.02 0.00 0.00 54.13 55.50 3iu8 s LEU 108 Cb -0.18 -3.33 0.00 0.00 0.02 0.00 0.00 46.19 42.70 3iu8 s LEU 108 CO -0.17 0.11 0.00 0.59 0.02 0.00 0.00 176.35 176.90 3iu8 n ASN 109 N 0.99 0.00 -0.13 2.29 3.02 -0.55 -0.93 115.26 119.95 3iu8 n ASN 109 Ca -0.05 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.65 3iu8 n ASN 109 Cb 0.51 0.00 0.83 0.00 -0.61 0.00 0.00 39.78 40.51 3iu8 n ASN 109 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3iu8 n GLU 110 N 0.32 1.17 -2.74 3.52 0.00 -1.26 -1.64 120.64 120.01 3iu8 n GLU 110 Ca 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 57.16 56.48 3iu8 n GLU 110 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 29.92 3iu8 n GLU 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3iu8 s VAL 111 N -2.01 4.62 0.07 3.84 1.01 -0.11 -1.31 120.40 126.51 3iu8 s VAL 111 Ca 0.45 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 3iu8 s VAL 111 Cb 0.22 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 3iu8 s VAL 111 CO 0.36 -0.37 1.51 0.40 0.00 0.00 0.00 175.10 177.01 3iu8 h ILE 112 N 5.66 1.24 -2.05 2.22 2.04 -0.52 -3.41 117.51 122.68 3iu8 h ILE 112 Ca -0.22 -0.79 0.23 0.00 1.00 0.00 0.00 64.86 65.08 3iu8 h ILE 112 Cb 1.07 1.43 -0.09 0.00 -0.74 0.00 0.00 36.82 38.49 3iu8 h ILE 112 CO 0.98 0.24 0.62 0.00 0.00 0.00 0.00 178.15 179.99 3iu8 n HIS 114 N -0.51 -0.42 -1.71 0.00 8.25 -1.26 -2.14 115.22 117.43 3iu8 n HIS 114 Ca -0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.97 3iu8 n HIS 114 Cb 0.61 -3.27 -0.01 0.00 1.12 0.00 0.00 29.99 28.44 3iu8 n HIS 114 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iu8 n GLY 115 N -0.91 0.80 3.58 -1.41 0.00 -1.26 -3.97 105.19 102.02 3iu8 n GLY 115 Ca -0.19 0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3iu8 n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iu8 s ILE 116 N -0.68 5.24 0.13 -0.61 1.01 -1.26 -0.97 121.20 124.06 3iu8 s ILE 116 Ca 0.60 0.23 -0.35 0.00 0.00 0.00 0.00 60.65 61.13 3iu8 s ILE 116 Cb -0.57 -3.66 -0.16 0.00 0.01 0.00 0.00 42.46 38.09 3iu8 s ILE 116 CO 0.57 0.13 1.36 -2.65 0.00 0.00 0.00 174.94 174.35 3iu8 n PRO 117 N 5.21 1.44 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.31 3iu8 n PRO 117 Ca -0.11 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3iu8 n PRO 117 Cb 0.51 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3iu8 n PRO 117 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3iu8 n ASP 118 N 2.59 0.00 0.00 2.55 5.68 -1.26 -4.64 116.55 121.46 3iu8 n ASP 118 Ca 0.17 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.56 3iu8 n ASP 118 Cb 0.23 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.74 3iu8 n ASP 118 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3iu8 n SER 119 N 0.00 0.00 -4.66 -1.12 3.41 -0.53 -1.10 113.62 109.62 3iu8 n SER 119 Ca 0.00 -0.24 -0.50 0.00 -0.26 0.00 0.00 58.87 57.87 3iu8 n SER 119 Cb 0.00 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3iu8 n SER 119 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iu8 n THR 120 N -1.18 0.19 -3.33 6.66 -1.04 -1.26 -4.83 114.28 109.49 3iu8 n THR 120 Ca 0.11 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.05 61.71 3iu8 n THR 120 Cb 0.12 -1.36 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 3iu8 n THR 120 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3iu8 s VAL 121 N 1.97 5.18 0.30 12.58 1.01 -1.26 -1.55 120.40 138.63 3iu8 s VAL 121 Ca 0.87 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 3iu8 s VAL 121 Cb -0.83 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 31.66 3iu8 s VAL 121 CO 0.48 0.29 1.13 -0.63 0.00 0.00 0.00 175.10 176.37 3iu8 s ILE 122 N 0.92 3.37 0.18 2.22 1.01 0.17 -4.92 121.20 124.15 3iu8 s ILE 122 Ca 0.24 1.35 0.04 0.00 0.00 0.00 0.00 60.65 62.28 3iu8 s ILE 122 Cb -0.15 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3iu8 s ILE 122 CO 0.09 0.30 -0.05 0.28 0.00 0.00 0.00 174.94 175.56 3iu8 s THR 123 N -1.20 1.04 0.26 2.92 -1.32 -1.26 -0.72 115.64 115.36 3iu8 s THR 123 Ca 0.47 -2.04 -0.29 0.00 -1.21 0.00 0.00 61.69 58.62 3iu8 s THR 123 Cb -0.32 -2.08 -0.14 0.00 -1.51 0.00 0.00 72.50 68.45 3iu8 s THR 123 CO 0.42 -0.55 1.04 0.47 -2.21 0.00 0.00 174.62 173.79 3iu8 n ASP 124 N -0.29 1.27 0.00 8.08 8.00 -1.26 -1.45 116.55 130.89 3iu8 n ASP 124 Ca -0.08 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.59 3iu8 n ASP 124 Cb 0.62 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 3iu8 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iu8 n GLY 125 N 1.45 1.82 3.77 0.44 0.00 0.33 -4.63 105.19 108.36 3iu8 n GLY 125 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3iu8 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iu8 s ASP 126 N -3.40 4.85 -0.12 1.61 1.01 -0.53 -4.60 116.67 115.49 3iu8 s ASP 126 Ca 0.00 1.96 0.02 0.00 0.71 0.00 0.00 52.55 55.25 3iu8 s ASP 126 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3iu8 s ASP 126 CO 0.00 -1.80 -0.21 0.27 0.21 0.00 0.00 175.17 173.64 3iu8 s ILE 127 N -2.50 2.29 -0.25 0.77 -4.36 -1.26 -0.76 121.20 115.13 3iu8 s ILE 127 Ca 0.65 -0.92 0.02 0.00 -0.26 0.00 0.00 60.65 60.14 3iu8 s ILE 127 Cb -0.20 -1.91 0.06 0.00 1.25 0.00 0.00 42.46 41.66 3iu8 s ILE 127 CO 0.46 0.55 -0.09 -0.69 0.24 0.00 0.00 174.94 175.41 3iu8 s VAL 128 N 0.54 1.89 0.03 8.37 1.01 0.08 -1.49 120.40 130.83 3iu8 s VAL 128 Ca -0.13 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 3iu8 s VAL 128 Cb -0.17 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 3iu8 s VAL 128 CO 0.04 -0.04 0.66 0.21 0.00 0.00 0.00 175.10 175.97 3iu8 s ASN 129 N 1.23 7.08 -0.09 3.32 3.84 -0.34 -0.12 114.94 129.86 3iu8 s ASN 129 Ca -0.07 1.29 0.03 0.00 0.21 0.00 0.00 52.86 54.32 3iu8 s ASN 129 Cb -0.19 -2.40 0.01 0.00 -0.55 0.00 0.00 41.25 38.11 3iu8 s ASN 129 CO -0.06 0.10 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.52 3iu8 s ILE 130 N -0.28 1.77 -0.14 -5.21 1.01 -0.55 -0.72 121.20 117.08 3iu8 s ILE 130 Ca 0.33 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3iu8 s ILE 130 Cb -0.19 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.75 3iu8 s ILE 130 CO 0.20 0.49 -0.15 -0.62 0.00 0.00 0.00 174.94 174.86 3iu8 s ASP 131 N 0.50 2.63 0.00 3.58 -1.08 0.15 -2.30 116.67 120.14 3iu8 s ASP 131 Ca -0.16 -0.47 0.01 0.00 -0.52 0.00 0.00 52.55 51.40 3iu8 s ASP 131 Cb -0.17 -1.16 -0.01 0.00 -1.46 0.00 0.00 42.92 40.12 3iu8 s ASP 131 CO 0.06 -0.03 -0.03 0.54 0.52 0.00 0.00 175.17 176.23 3iu8 s VAL 132 N 1.33 0.19 -0.03 1.11 0.11 -0.07 -1.48 120.40 121.56 3iu8 s VAL 132 Ca 0.01 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 3iu8 s VAL 132 Cb -0.13 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 3iu8 s VAL 132 CO -0.08 -0.05 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.67 3iu8 s THR 133 N -0.31 0.78 -0.10 5.04 2.01 -1.26 -1.51 115.64 120.29 3iu8 s THR 133 Ca -0.02 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 3iu8 s THR 133 Cb -0.03 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 3iu8 s THR 133 CO -0.00 0.25 -0.04 0.00 -0.69 0.00 0.00 174.62 174.14 3iu8 s ALA 134 N 0.25 3.08 -0.26 7.40 0.00 -0.01 -1.41 121.76 130.81 3iu8 s ALA 134 Ca -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3iu8 s ALA 134 Cb -0.09 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.63 3iu8 s ALA 134 CO 0.01 0.45 -0.03 -0.47 0.00 0.00 0.00 175.76 175.72 3iu8 s TYR 135 N -0.42 3.09 -0.22 0.00 5.04 0.12 -1.05 117.35 123.92 3iu8 s TYR 135 Ca 0.07 -1.40 -0.22 0.00 -2.44 0.00 0.00 57.07 53.07 3iu8 s TYR 135 Cb -0.12 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.14 3iu8 s TYR 135 CO 0.02 -0.69 0.62 -1.50 -1.34 0.00 0.00 175.55 172.67 3iu8 s ILE 136 N 1.37 0.00 -1.57 3.14 2.07 -0.55 -0.91 121.20 124.75 3iu8 s ILE 136 Ca 0.01 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 3iu8 s ILE 136 Cb -0.17 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.55 3iu8 s ILE 136 CO -0.03 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 3iu8 n GLY 137 N 2.58 0.06 2.37 1.50 0.00 -1.26 -2.72 105.19 107.71 3iu8 n GLY 137 Ca -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 3iu8 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu8 n GLY 138 N -0.98 0.42 3.23 -0.02 0.00 -1.26 -4.97 105.19 101.61 3iu8 n GLY 138 Ca -0.20 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3iu8 n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iu8 s VAL 139 N -1.72 0.58 0.17 1.61 -7.23 -1.10 -4.33 120.40 108.38 3iu8 s VAL 139 Ca 0.00 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 3iu8 s VAL 139 Cb 0.00 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3iu8 s VAL 139 CO 0.00 -0.48 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.24 3iu8 s HIS 140 N -3.72 2.69 -0.02 2.82 0.09 -0.66 -1.49 115.29 114.99 3iu8 s HIS 140 Ca 0.24 -0.20 -0.00 0.00 -0.00 0.00 0.00 55.06 55.10 3iu8 s HIS 140 Cb 0.06 -1.32 0.03 0.00 -0.00 0.00 0.00 32.58 31.35 3iu8 s HIS 140 CO 0.03 0.50 0.04 0.20 -0.00 0.00 0.00 174.74 175.52 3iu8 s GLY 141 N -2.79 0.06 -0.06 -2.22 0.00 -0.21 -4.64 107.32 97.47 3iu8 s GLY 141 Ca 0.25 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.30 3iu8 s GLY 141 CO 0.16 0.62 -0.10 -0.35 0.00 0.00 0.00 173.10 173.43 3iu8 s ASP 142 N 0.91 1.59 -0.03 1.64 3.68 -1.26 -0.83 116.67 122.37 3iu8 s ASP 142 Ca -0.07 -0.26 -0.29 0.00 2.13 0.00 0.00 52.55 54.05 3iu8 s ASP 142 Cb -0.11 -0.74 0.07 0.00 -1.45 0.00 0.00 42.92 40.69 3iu8 s ASP 142 CO -0.03 0.01 0.65 0.28 0.13 0.00 0.00 175.17 176.21 3iu8 s THR 143 N 0.76 0.00 0.08 1.71 -1.32 -0.57 -2.92 115.64 113.38 3iu8 s THR 143 Ca -0.13 -0.04 -0.12 0.00 -1.21 0.00 0.00 61.69 60.20 3iu8 s THR 143 Cb -0.15 -0.98 0.01 0.00 -1.51 0.00 0.00 72.50 69.87 3iu8 s THR 143 CO 0.02 -0.02 0.26 0.54 -2.21 0.00 0.00 174.62 173.22 3iu8 s ASN 144 N -1.34 -0.02 0.09 8.08 2.20 -0.72 -0.90 114.94 122.33 3iu8 s ASN 144 Ca -0.10 -0.43 -0.19 0.00 -0.94 0.00 0.00 52.86 51.19 3iu8 s ASN 144 Cb -0.00 0.37 0.05 0.00 -2.00 0.00 0.00 41.25 39.66 3iu8 s ASN 144 CO 0.08 -0.70 0.47 0.00 -2.94 0.00 0.00 177.10 174.00 3iu8 s ALA 145 N -3.36 -1.16 -0.20 3.54 0.00 -0.97 -1.44 121.76 118.17 3iu8 s ALA 145 Ca 0.01 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 3iu8 s ALA 145 Cb 0.02 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3iu8 s ALA 145 CO -0.08 -0.57 0.04 0.99 0.00 0.00 0.00 175.76 176.13 3iu8 s THR 146 N -3.07 4.39 -0.11 0.00 2.01 -1.15 -1.48 115.64 116.23 3iu8 s THR 146 Ca -0.02 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.84 3iu8 s THR 146 Cb 0.00 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 3iu8 s THR 146 CO -0.07 0.43 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.76 3iu8 s PHE 147 N 0.75 2.69 0.30 4.92 0.40 0.83 -4.86 117.98 123.02 3iu8 s PHE 147 Ca 0.02 -0.72 -0.28 0.00 -0.60 0.00 0.00 56.93 55.35 3iu8 s PHE 147 Cb -0.14 -1.76 -0.09 0.00 0.51 0.00 0.00 43.02 41.54 3iu8 s PHE 147 CO 0.02 -0.23 1.03 -1.25 0.70 0.00 0.00 175.22 175.49 3iu8 s PRO 148 N 0.18 4.57 -0.32 0.24 0.04 -1.26 -0.74 135.00 137.70 3iu8 s PRO 148 Ca -0.10 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 3iu8 s PRO 148 Cb -0.16 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.41 3iu8 s PRO 148 CO 0.06 0.21 0.10 0.00 0.04 0.00 0.00 177.00 177.40 3iu8 s ALA 149 N -1.34 3.05 0.00 8.56 0.00 0.06 -4.85 121.76 127.24 3iu8 s ALA 149 Ca 0.48 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3iu8 s ALA 149 Cb -0.27 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.63 3iu8 s ALA 149 CO 0.34 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3iu8 n GLY 150 N 4.83 0.49 3.65 0.00 0.00 -1.26 -0.51 105.19 112.39 3iu8 n GLY 150 Ca -0.13 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 3iu8 n GLY 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iu8 s ASP 151 N -4.00 6.82 -0.02 1.61 1.01 -1.26 -4.69 116.67 116.14 3iu8 s ASP 151 Ca 0.00 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.24 3iu8 s ASP 151 Cb 0.00 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3iu8 s ASP 151 CO 0.00 -0.41 0.15 -0.69 0.21 0.00 0.00 175.17 174.43 3iu8 s VAL 152 N 2.39 5.27 0.49 -1.27 1.01 -1.26 -2.81 120.40 124.21 3iu8 s VAL 152 Ca 0.34 -0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 3iu8 s VAL 152 Cb -0.16 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 3iu8 s VAL 152 CO 0.10 0.36 1.41 0.00 0.00 0.00 0.00 175.10 176.97 3iu8 n ALA 153 N 1.12 1.89 -0.32 5.51 0.00 -1.26 -4.63 120.51 122.81 3iu8 n ALA 153 Ca -0.12 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3iu8 n ALA 153 Cb 0.53 -2.38 0.27 0.00 0.00 0.00 0.00 19.45 17.87 3iu8 n ALA 153 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3iu8 h ASP 154 N 1.96 -0.32 -0.51 0.00 3.32 -1.98 -0.05 116.42 118.83 3iu8 h ASP 154 Ca -0.51 0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3iu8 h ASP 154 Cb 1.28 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 3iu8 h ASP 154 CO 0.59 -0.28 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.46 3iu8 h GLU 155 N 0.07 0.97 -0.24 3.56 4.39 -1.99 -0.56 114.58 120.78 3iu8 h GLU 155 Ca 0.56 -0.32 -0.17 0.00 0.34 0.00 0.00 59.36 59.78 3iu8 h GLU 155 Cb 1.14 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3iu8 h GLU 155 CO -0.81 0.98 -0.52 0.45 -1.16 0.00 0.00 179.01 177.95 3iu8 h HIS 156 N 0.88 0.84 -0.71 4.33 3.86 -1.72 -1.63 115.15 121.01 3iu8 h HIS 156 Ca 0.15 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 59.00 3iu8 h HIS 156 Cb 0.58 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 3iu8 h HIS 156 CO 0.04 1.06 0.16 -0.09 0.86 0.00 0.00 177.93 179.95 3iu8 h ARG 157 N 0.53 1.15 -0.23 2.45 2.43 -0.82 -1.93 114.38 117.96 3iu8 h ARG 157 Ca 0.02 -0.28 -0.17 0.00 -0.81 0.00 0.00 59.98 58.73 3iu8 h ARG 157 Cb 1.09 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3iu8 h ARG 157 CO 0.11 1.01 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.96 3iu8 h LEU 158 N 1.08 0.76 -0.36 3.80 3.38 -1.11 -1.22 115.31 121.65 3iu8 h LEU 158 Ca 0.22 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3iu8 h LEU 158 Cb 0.39 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3iu8 h LEU 158 CO 0.00 1.16 0.03 0.25 0.09 0.00 0.00 178.44 179.98 3iu8 h LEU 159 N 0.52 -0.07 0.01 1.67 5.85 -1.07 -0.15 115.31 122.07 3iu8 h LEU 159 Ca 0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3iu8 h LEU 159 Cb 1.12 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3iu8 h LEU 159 CO 0.11 -0.00 -0.01 0.58 -0.34 0.00 0.00 178.44 178.79 3iu8 h VAL 160 N 0.14 1.02 -0.78 1.05 2.07 -1.24 0.43 116.25 118.95 3iu8 h VAL 160 Ca 0.18 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3iu8 h VAL 160 Cb 0.23 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3iu8 h VAL 160 CO -0.26 0.03 0.39 0.44 0.02 0.00 0.00 177.57 178.18 3iu8 h ASP 161 N -0.06 1.00 0.81 0.57 3.32 -1.05 -0.97 116.42 120.04 3iu8 h ASP 161 Ca -0.00 -0.11 -0.20 0.00 0.02 0.00 0.00 57.03 56.75 3iu8 h ASP 161 Cb 0.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3iu8 h ASP 161 CO 0.00 0.83 -0.92 0.03 -1.72 0.00 0.00 179.24 177.47 3iu8 h ARG 162 N 1.10 0.06 -0.44 3.56 3.08 -0.91 -0.75 114.38 120.08 3iu8 h ARG 162 Ca 0.27 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3iu8 h ARG 162 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3iu8 h ARG 162 CO -0.04 0.93 -0.06 1.15 -1.07 0.00 0.00 179.97 180.88 3iu8 h THR 163 N 0.03 1.27 -0.34 2.04 2.02 -0.52 0.99 112.91 118.40 3iu8 h THR 163 Ca -0.03 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 3iu8 h THR 163 Cb 1.60 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 3iu8 h THR 163 CO 0.13 0.39 0.18 -0.09 0.37 0.00 0.00 175.52 176.49 3iu8 h ARG 164 N 0.64 0.47 -0.72 6.66 2.43 -1.04 -1.16 114.38 121.66 3iu8 h ARG 164 Ca 0.12 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3iu8 h ARG 164 Cb 0.58 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3iu8 h ARG 164 CO 0.03 0.41 0.44 1.49 -1.51 0.00 0.00 179.97 180.83 3iu8 h GLU 165 N 0.42 0.97 -0.75 0.20 4.57 -0.98 -0.49 114.58 118.51 3iu8 h GLU 165 Ca 0.12 -0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.27 3iu8 h GLU 165 Cb 0.08 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3iu8 h GLU 165 CO -0.02 0.68 0.45 0.00 -1.18 0.00 0.00 179.01 178.94 3iu8 h ALA 166 N 1.23 1.01 -0.22 2.92 0.00 -0.57 0.17 119.26 123.81 3iu8 h ALA 166 Ca 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3iu8 h ALA 166 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iu8 h ALA 166 CO -0.05 0.18 0.05 1.15 0.00 0.00 0.00 179.25 180.58 3iu8 h THR 167 N 0.84 1.21 -0.61 0.00 2.02 -0.71 -1.49 112.91 114.17 3iu8 h THR 167 Ca 0.32 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 3iu8 h THR 167 Cb 0.14 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3iu8 h THR 167 CO -0.16 0.21 0.04 0.24 0.37 0.00 0.00 175.52 176.22 3iu8 h MET 168 N 0.17 1.05 -0.71 6.66 2.07 -0.57 -1.15 114.93 122.45 3iu8 h MET 168 Ca 0.07 -0.32 0.03 0.00 -2.07 0.00 0.00 59.70 57.41 3iu8 h MET 168 Cb 0.28 -0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 29.86 3iu8 h MET 168 CO 0.00 1.01 0.45 0.00 1.07 0.00 0.00 176.91 179.44 3iu8 h ARG 169 N 0.96 0.85 -0.68 1.72 3.08 -0.59 -0.82 114.38 118.90 3iu8 h ARG 169 Ca 0.18 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3iu8 h ARG 169 Cb 0.51 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3iu8 h ARG 169 CO 0.02 0.56 0.28 0.00 -1.07 0.00 0.00 179.97 179.76 3iu8 h ALA 170 N 1.30 0.88 -0.69 0.04 0.00 -0.98 -2.68 119.26 117.12 3iu8 h ALA 170 Ca 0.28 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3iu8 h ALA 170 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3iu8 h ALA 170 CO -0.10 0.50 0.17 0.82 0.00 0.00 0.00 179.25 180.63 3iu8 h ILE 171 N 0.96 1.26 0.00 0.00 2.04 -0.91 -1.53 117.51 119.33 3iu8 h ILE 171 Ca 0.23 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3iu8 h ILE 171 Cb 0.20 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3iu8 h ILE 171 CO -0.02 0.37 0.00 0.59 0.00 0.00 0.00 178.15 179.09 3iu8 n ASN 172 N -4.23 0.00 -0.10 1.72 3.02 -0.34 -1.36 115.26 113.97 3iu8 n ASN 172 Ca 0.05 0.15 0.14 0.00 -0.03 0.00 0.00 54.58 54.89 3iu8 n ASN 172 Cb 0.26 -0.35 0.56 0.00 -0.61 0.00 0.00 39.78 39.63 3iu8 n ASN 172 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3iu8 n THR 173 N -1.35 0.00 -2.42 3.41 -2.24 -0.58 -4.91 114.28 106.19 3iu8 n THR 173 Ca 0.08 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 3iu8 n THR 173 Cb 0.18 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 3iu8 n THR 173 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iu8 s VAL 174 N -2.59 4.25 -0.27 2.28 1.01 -0.46 -4.96 120.40 119.66 3iu8 s VAL 174 Ca 0.25 1.54 -0.25 0.00 0.00 0.00 0.00 61.98 63.51 3iu8 s VAL 174 Cb 0.20 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.69 3iu8 s VAL 174 CO 0.51 -0.09 0.91 -0.75 0.00 0.00 0.00 175.10 175.68 3iu8 s LYS 175 N 3.10 0.64 0.29 2.72 2.20 -1.26 -3.34 119.74 124.09 3iu8 s LYS 175 Ca 0.55 0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 56.60 3iu8 s LYS 175 Cb -0.23 0.31 -0.12 0.00 -1.51 0.00 0.00 37.83 36.28 3iu8 s LYS 175 CO 0.17 -0.08 1.47 -0.35 -0.36 0.00 0.00 175.35 176.20 3iu8 n PRO 176 N 2.33 2.38 0.00 4.03 -0.04 -1.26 -2.48 135.00 139.96 3iu8 n PRO 176 Ca -0.13 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3iu8 n PRO 176 Cb 0.56 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3iu8 n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iu8 n GLY 177 N 1.72 3.31 3.76 0.55 0.00 0.30 -5.00 105.19 109.84 3iu8 n GLY 177 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3iu8 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iu8 s ARG 178 N -0.66 4.57 0.32 1.61 0.52 -1.03 -4.78 118.95 119.50 3iu8 s ARG 178 Ca 0.00 1.77 -0.29 0.00 -0.52 0.00 0.00 55.73 56.69 3iu8 s ARG 178 Cb 0.00 -3.10 -0.11 0.00 0.52 0.00 0.00 34.95 32.26 3iu8 s ARG 178 CO 0.00 0.16 1.43 0.00 0.02 0.00 0.00 175.30 176.91 3iu8 s ALA 179 N -1.23 3.59 0.53 2.13 0.00 -1.26 -0.88 121.76 124.64 3iu8 s ALA 179 Ca 0.46 1.42 0.21 0.00 0.00 0.00 0.00 51.96 54.05 3iu8 s ALA 179 Cb -0.31 -3.56 1.37 0.00 0.00 0.00 0.00 23.12 20.62 3iu8 s ALA 179 CO 0.39 -0.84 2.08 1.25 0.00 0.00 0.00 175.76 178.64 3iu8 h LEU 180 N 3.87 0.00 -2.71 0.00 5.85 -1.00 -1.83 115.31 119.48 3iu8 h LEU 180 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3iu8 h LEU 180 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 3iu8 h LEU 180 CO 0.70 0.00 0.03 0.77 -0.34 0.00 0.00 178.44 179.59 3iu8 h SER 181 N 0.00 0.00 0.16 1.25 4.64 -1.83 -2.50 113.55 115.27 3iu8 h SER 181 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3iu8 h SER 181 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3iu8 h SER 181 CO -0.00 0.00 -0.09 -0.37 -0.87 0.00 0.00 176.83 175.50 3iu8 h VAL 182 N 0.00 0.80 0.43 0.95 -1.51 -1.71 -2.26 116.25 112.95 3iu8 h VAL 182 Ca 0.01 -0.35 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 3iu8 h VAL 182 Cb 0.06 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 3iu8 h VAL 182 CO -0.00 0.09 -0.29 0.40 -1.23 0.00 0.00 177.57 176.54 3iu8 h ILE 183 N 0.00 0.40 -0.60 7.19 2.04 -1.67 0.12 117.51 125.00 3iu8 h ILE 183 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3iu8 h ILE 183 Cb 0.20 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3iu8 h ILE 183 CO 0.01 0.00 0.13 1.23 0.00 0.00 0.00 178.15 179.52 3iu8 h GLY 184 N -0.70 1.01 0.83 5.37 0.00 -1.47 -0.96 103.07 107.15 3iu8 h GLY 184 Ca -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.69 3iu8 h GLY 184 CO 0.03 0.57 0.05 -0.09 0.00 0.00 0.00 176.54 177.11 3iu8 h ARG 185 N 0.89 0.13 -0.37 4.80 2.43 -1.14 -0.21 114.38 120.92 3iu8 h ARG 185 Ca 0.19 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3iu8 h ARG 185 Cb 0.35 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3iu8 h ARG 185 CO 0.00 0.09 -0.00 0.28 -1.51 0.00 0.00 179.97 178.83 3iu8 h VAL 186 N 0.14 1.26 0.04 0.20 2.07 -0.57 -1.41 116.25 117.98 3iu8 h VAL 186 Ca 0.08 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3iu8 h VAL 186 Cb 0.06 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3iu8 h VAL 186 CO -0.09 0.33 -0.02 0.40 0.02 0.00 0.00 177.57 178.21 3iu8 h ILE 187 N 0.47 1.09 -0.47 4.57 2.04 -1.04 -2.36 117.51 121.80 3iu8 h ILE 187 Ca 0.10 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 3iu8 h ILE 187 Cb 0.47 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3iu8 h ILE 187 CO 0.02 0.11 -0.17 -0.08 0.00 0.00 0.00 178.15 178.03 3iu8 h GLU 188 N -0.25 0.92 -0.07 2.37 4.81 -1.05 -0.31 114.58 120.99 3iu8 h GLU 188 Ca -0.01 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3iu8 h GLU 188 Cb 0.22 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3iu8 h GLU 188 CO 0.01 1.01 0.04 1.03 -0.73 0.00 0.00 179.01 180.38 3iu8 h SER 189 N 0.81 0.09 0.18 1.04 0.87 -1.28 -0.24 113.55 115.02 3iu8 h SER 189 Ca 0.12 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3iu8 h SER 189 Cb 0.71 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 3iu8 h SER 189 CO 0.05 0.11 -0.31 0.22 -0.53 0.00 0.00 176.83 176.38 3iu8 h TYR 190 N 0.06 -0.84 -0.56 2.24 3.20 -1.34 -3.02 116.97 116.71 3iu8 h TYR 190 Ca 0.03 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.00 3iu8 h TYR 190 Cb 0.04 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 3iu8 h TYR 190 CO -0.06 -0.43 0.18 0.00 -1.64 0.00 0.00 178.16 176.22 3iu8 h ALA 191 N 0.06 0.70 -0.11 1.82 0.00 -0.96 -2.04 119.26 118.73 3iu8 h ALA 191 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3iu8 h ALA 191 Cb 0.57 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3iu8 h ALA 191 CO -0.14 -0.23 0.13 -0.91 0.00 0.00 0.00 179.25 178.09 3iu8 h ASN 192 N 0.35 0.00 -0.83 0.00 2.35 -1.02 -1.48 115.58 114.96 3iu8 h ASN 192 Ca 0.28 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 56.23 3iu8 h ASN 192 Cb 0.36 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 3iu8 h ASN 192 CO -0.31 0.00 0.56 0.03 -1.65 0.00 0.00 177.43 176.06 3iu8 h ARG 193 N 0.00 0.28 -0.36 0.81 3.08 -1.23 -2.39 114.38 114.56 3iu8 h ARG 193 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3iu8 h ARG 193 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3iu8 h ARG 193 CO -0.00 0.18 0.00 1.19 -1.07 0.00 0.00 179.97 180.27 3iu8 n PHE 194 N -4.44 0.47 -1.18 3.04 3.01 -0.62 -4.93 117.46 112.81 3iu8 n PHE 194 Ca 0.17 -0.33 -0.06 0.00 1.01 0.00 0.00 57.45 58.24 3iu8 n PHE 194 Cb 0.70 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.14 3iu8 n PHE 194 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iu8 n GLY 195 N 1.06 0.84 3.86 1.37 0.00 -0.90 -5.03 105.19 106.38 3iu8 n GLY 195 Ca 0.15 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3iu8 n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iu8 s TYR 196 N -2.16 3.40 -0.14 1.61 2.02 -0.81 -4.96 117.35 116.31 3iu8 s TYR 196 Ca 0.00 1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 57.94 3iu8 s TYR 196 Cb 0.00 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.69 3iu8 s TYR 196 CO 0.00 -0.98 -0.08 -0.80 -1.57 0.00 0.00 175.55 172.12 3iu8 s ASN 197 N -4.11 4.41 -0.17 2.29 0.01 -0.53 -4.14 114.94 112.69 3iu8 s ASN 197 Ca 0.57 -0.23 -0.19 0.00 -0.71 0.00 0.00 52.86 52.30 3iu8 s ASN 197 Cb -0.12 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 3iu8 s ASN 197 CO 0.54 0.16 0.54 -0.69 -1.51 0.00 0.00 177.10 176.14 3iu8 s VAL 198 N 0.37 5.11 0.31 1.60 1.01 -1.26 -0.41 120.40 127.13 3iu8 s VAL 198 Ca -0.07 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 3iu8 s VAL 198 Cb -0.15 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 3iu8 s VAL 198 CO 0.04 0.21 1.56 -0.69 0.00 0.00 0.00 175.10 176.22 3iu8 s VAL 199 N 1.38 2.07 -0.12 2.92 1.01 -0.50 -4.93 120.40 122.22 3iu8 s VAL 199 Ca 0.26 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.36 3iu8 s VAL 199 Cb -0.16 -3.04 -0.12 0.00 0.00 0.00 0.00 36.38 33.07 3iu8 s VAL 199 CO 0.10 0.01 -0.03 0.54 0.00 0.00 0.00 175.10 175.72 3iu8 n ARG 200 N 1.72 1.38 0.22 2.72 1.74 -1.26 -4.62 116.66 118.57 3iu8 n ARG 200 Ca 0.06 0.03 0.15 0.00 -0.77 0.00 0.00 57.85 57.33 3iu8 n ARG 200 Cb 0.38 -1.28 0.56 0.00 -1.02 0.00 0.00 32.46 31.10 3iu8 n ARG 200 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3iu8 h ASP 201 N 0.00 0.00 -3.95 0.55 3.32 -1.98 -3.42 116.42 110.95 3iu8 h ASP 201 Ca -0.31 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.05 3iu8 h ASP 201 Cb 1.60 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.92 3iu8 h ASP 201 CO -0.01 0.00 -0.75 -0.36 -1.72 0.00 0.00 179.24 176.39 3iu8 s PHE 202 N -3.49 2.76 0.31 4.55 0.40 -1.26 -5.13 117.98 116.10 3iu8 s PHE 202 Ca 0.03 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 3iu8 s PHE 202 Cb 0.09 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 3iu8 s PHE 202 CO 0.52 0.22 0.14 0.95 0.70 0.00 0.00 175.22 177.75 3iu8 s THR 203 N -0.74 0.42 0.96 0.64 -4.23 -1.26 -4.81 115.64 106.62 3iu8 s THR 203 Ca 0.11 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.47 3iu8 s THR 203 Cb -0.11 -2.53 0.19 0.00 1.34 0.00 0.00 72.50 71.39 3iu8 s THR 203 CO 0.01 0.00 1.28 -0.83 -0.54 0.00 0.00 174.62 174.54 3iu8 s GLY 204 N -3.39 1.73 -0.08 3.99 0.00 -0.11 -4.88 107.32 104.59 3iu8 s GLY 204 Ca 0.35 -1.09 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 3iu8 s GLY 204 CO 0.17 -0.35 0.57 -2.38 0.00 0.00 0.00 173.10 171.10 3iu8 s HIS 205 N -3.76 -0.54 0.75 1.90 -3.43 -1.25 -1.21 115.29 107.75 3iu8 s HIS 205 Ca 0.72 1.01 -0.15 0.00 -0.80 0.00 0.00 55.06 55.84 3iu8 s HIS 205 Cb -0.06 0.29 0.05 0.00 -1.43 0.00 0.00 32.58 31.44 3iu8 s HIS 205 CO 0.53 -0.49 1.23 0.20 -2.00 0.00 0.00 174.74 174.20 3iu8 s GLY 206 N -0.91 2.38 -0.09 -1.38 0.00 -0.20 -0.88 107.32 106.23 3iu8 s GLY 206 Ca -0.09 0.94 -0.17 0.00 0.00 0.00 0.00 44.72 45.41 3iu8 s GLY 206 CO 0.07 1.36 0.41 -1.50 0.00 0.00 0.00 173.10 173.44 3iu8 s ILE 207 N -1.92 0.02 0.00 0.90 2.07 -0.89 -1.59 121.20 119.79 3iu8 s ILE 207 Ca 0.76 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 3iu8 s ILE 207 Cb -0.31 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 41.63 3iu8 s ILE 207 CO 0.46 -0.10 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 3iu8 n GLY 208 N 2.05 0.46 0.18 1.50 0.00 -1.26 -4.60 105.19 103.52 3iu8 n GLY 208 Ca -0.17 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.47 3iu8 n GLY 208 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iu8 h THR 209 N 0.00 0.00 -3.26 2.61 1.35 -1.94 -1.77 112.91 109.90 3iu8 h THR 209 Ca 0.00 -0.22 -0.61 0.00 -0.55 0.00 0.00 66.41 65.03 3iu8 h THR 209 Cb 0.00 0.97 -0.19 0.00 -1.73 0.00 0.00 68.15 67.21 3iu8 h THR 209 CO 0.00 0.00 -0.81 0.42 -0.25 0.00 0.00 175.52 174.88 3iu8 s THR 210 N -3.48 2.16 0.07 6.82 -4.23 -1.26 -4.72 115.64 111.00 3iu8 s THR 210 Ca 0.02 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 3iu8 s THR 210 Cb 0.09 -2.01 -0.18 0.00 1.34 0.00 0.00 72.50 71.74 3iu8 s THR 210 CO 0.38 -0.17 1.25 0.15 -0.54 0.00 0.00 174.62 175.68 3iu8 h PHE 211 N 3.26 0.94 -3.33 3.99 3.04 -1.88 -3.40 116.94 119.57 3iu8 h PHE 211 Ca -0.45 -0.44 -0.60 0.00 3.98 0.00 0.00 57.97 60.45 3iu8 h PHE 211 Cb 1.21 -0.14 -0.40 0.00 2.56 0.00 0.00 35.95 39.18 3iu8 h PHE 211 CO 0.68 1.26 -0.75 -1.01 -2.02 0.00 0.00 178.31 176.48 3iu8 s HIS 212 N -3.60 2.32 -2.03 0.41 3.76 -1.26 -4.40 115.29 110.49 3iu8 s HIS 212 Ca -0.11 -2.09 0.29 0.00 -0.15 0.00 0.00 55.06 53.00 3iu8 s HIS 212 Cb 0.07 -2.05 1.33 0.00 1.11 0.00 0.00 32.58 33.04 3iu8 s HIS 212 CO 0.88 -0.89 1.91 0.27 -0.85 0.00 0.00 174.74 176.06 3iu8 n ASN 213 N 4.67 0.71 0.00 1.40 0.23 -0.62 -2.22 115.26 119.42 3iu8 n ASN 213 Ca -0.01 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 3iu8 n ASN 213 Cb 0.42 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3iu8 n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iu8 n GLY 214 N 1.17 2.00 3.71 4.83 0.00 -1.26 -2.52 105.19 113.13 3iu8 n GLY 214 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3iu8 n GLY 214 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu8 s LEU 215 N 0.00 4.37 -0.10 0.99 2.96 -1.26 -4.93 118.68 120.71 3iu8 s LEU 215 Ca 0.00 2.53 0.01 0.00 -0.22 0.00 0.00 54.13 56.45 3iu8 s LEU 215 Cb 0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3iu8 s LEU 215 CO 0.00 -0.79 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.43 3iu8 s VAL 216 N 1.30 3.16 -0.31 1.68 1.01 -1.26 -1.04 120.40 124.95 3iu8 s VAL 216 Ca 0.69 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3iu8 s VAL 216 Cb -0.42 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 33.72 3iu8 s VAL 216 CO 0.31 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.29 3iu8 s VAL 217 N -0.15 3.04 0.27 2.92 1.01 -0.35 -4.92 120.40 122.23 3iu8 s VAL 217 Ca -0.00 -1.41 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 3iu8 s VAL 217 Cb -0.13 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 3iu8 s VAL 217 CO 0.03 -0.14 0.95 -0.76 0.00 0.00 0.00 175.10 175.18 3iu8 s LEU 218 N 1.25 4.55 0.00 3.92 1.43 -1.26 -0.94 118.68 127.64 3iu8 s LEU 218 Ca -0.04 1.92 0.24 0.00 -1.03 0.00 0.00 54.13 55.22 3iu8 s LEU 218 Cb -0.20 -3.73 0.45 0.00 0.03 0.00 0.00 46.19 42.73 3iu8 s LEU 218 CO -0.01 0.08 1.41 1.41 0.23 0.00 0.00 176.35 179.47 3iu8 n HIS 219 N 1.20 0.23 -4.08 0.29 8.25 -1.26 -3.20 115.22 116.64 3iu8 n HIS 219 Ca -0.01 -0.11 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 3iu8 n HIS 219 Cb 0.48 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 3iu8 n HIS 219 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3iu8 s TYR 220 N -1.77 2.54 -0.26 4.41 -0.85 -1.26 -3.84 117.35 116.32 3iu8 s TYR 220 Ca 0.34 -0.60 -0.29 0.00 -0.52 0.00 0.00 57.07 55.99 3iu8 s TYR 220 Cb 0.21 -1.97 0.01 0.00 0.38 0.00 0.00 41.96 40.59 3iu8 s TYR 220 CO 0.31 0.12 1.15 0.34 -1.52 0.00 0.00 175.55 175.95 3iu8 s ASP 221 N -3.95 6.92 -0.43 -0.18 2.15 -1.22 -4.12 116.67 115.84 3iu8 s ASP 221 Ca 0.40 1.31 0.06 0.00 0.43 0.00 0.00 52.55 54.74 3iu8 s ASP 221 Cb 0.03 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.28 3iu8 s ASP 221 CO 0.22 -0.84 0.54 -1.58 -0.17 0.00 0.00 175.17 173.34 3iu8 s GLN 222 N 3.61 0.87 0.00 4.34 2.00 -1.26 -4.98 119.66 124.24 3iu8 s GLN 222 Ca 0.49 -1.04 0.19 0.00 -2.00 0.00 0.00 55.36 53.01 3iu8 s GLN 222 Cb -0.16 -0.46 1.09 0.00 0.80 0.00 0.00 33.01 34.28 3iu8 s GLN 222 CO 0.14 -1.27 1.55 -0.35 -0.50 0.00 0.00 175.29 174.86 3iu8 n PRO 223 N 3.60 0.51 0.12 1.67 -0.04 -1.26 -2.66 135.00 136.94 3iu8 n PRO 223 Ca 0.17 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3iu8 n PRO 223 Cb 0.52 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.94 3iu8 n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iu8 n ALA 224 N -1.08 1.87 -2.18 0.55 0.00 -1.26 -4.71 120.51 113.70 3iu8 n ALA 224 Ca 0.13 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 3iu8 n ALA 224 Cb 0.09 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 3iu8 n ALA 224 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iu8 s VAL 225 N -3.24 3.55 -1.29 0.00 1.01 -1.09 -4.91 120.40 114.43 3iu8 s VAL 225 Ca 0.06 1.00 0.24 0.00 0.00 0.00 0.00 61.98 63.28 3iu8 s VAL 225 Cb 0.10 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.86 3iu8 s VAL 225 CO 0.46 0.02 1.31 -1.84 0.00 0.00 0.00 175.10 175.04 3iu8 n GLU 226 N 5.04 0.33 -1.66 2.72 0.00 -1.26 -4.66 120.64 121.14 3iu8 n GLU 226 Ca 0.13 -0.23 -0.47 0.00 0.00 0.00 0.00 57.16 56.59 3iu8 n GLU 226 Cb 0.43 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.33 3iu8 n GLU 226 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3iu8 n THR 227 N -1.14 0.09 -4.05 3.84 -1.04 -1.26 -4.87 114.28 105.85 3iu8 n THR 227 Ca 0.07 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.76 3iu8 n THR 227 Cb 0.35 -1.49 -0.06 0.00 -1.82 0.00 0.00 70.33 67.31 3iu8 n THR 227 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3iu8 s ILE 228 N 1.34 4.65 -0.04 12.58 -4.36 -1.26 -0.34 121.20 133.76 3iu8 s ILE 228 Ca 0.82 -0.65 -0.30 0.00 -0.26 0.00 0.00 60.65 60.26 3iu8 s ILE 228 Cb -0.72 -3.22 -0.03 0.00 1.25 0.00 0.00 42.46 39.74 3iu8 s ILE 228 CO 0.41 0.18 1.09 -0.04 0.24 0.00 0.00 174.94 176.82 3iu8 s MET 229 N -2.25 4.43 0.07 0.37 -1.94 -0.06 -4.81 119.30 115.10 3iu8 s MET 229 Ca 0.28 1.55 0.07 0.00 -1.71 0.00 0.00 55.69 55.88 3iu8 s MET 229 Cb -0.12 -3.50 -0.03 0.00 2.01 0.00 0.00 34.83 33.19 3iu8 s MET 229 CO 0.21 -0.30 -0.20 -0.65 -0.01 0.00 0.00 175.02 174.07 3iu8 s GLN 230 N 1.73 1.25 0.24 2.03 -0.21 -1.26 -0.54 119.66 122.91 3iu8 s GLN 230 Ca 0.53 -1.01 -0.31 0.00 0.02 0.00 0.00 55.36 54.59 3iu8 s GLN 230 Cb -0.23 -1.41 -0.14 0.00 1.00 0.00 0.00 33.01 32.23 3iu8 s GLN 230 CO 0.23 0.35 1.28 -2.30 -2.12 0.00 0.00 175.29 172.73 3iu8 n PRO 231 N 1.56 1.72 0.00 2.91 -0.02 -1.26 -1.55 135.00 138.36 3iu8 n PRO 231 Ca -0.18 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3iu8 n PRO 231 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3iu8 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu8 n GLY 232 N 1.88 1.69 3.78 -1.23 0.00 0.63 -4.83 105.19 107.10 3iu8 n GLY 232 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3iu8 n GLY 232 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iu8 s MET 233 N -0.88 4.30 -0.06 1.61 -1.94 -0.59 -0.55 119.30 121.18 3iu8 s MET 233 Ca 0.00 1.57 0.02 0.00 -1.71 0.00 0.00 55.69 55.57 3iu8 s MET 233 Cb 0.00 -2.71 0.02 0.00 2.01 0.00 0.00 34.83 34.15 3iu8 s MET 233 CO 0.00 -0.04 -0.09 0.95 -0.01 0.00 0.00 175.02 175.84 3iu8 s THR 234 N -1.53 0.89 0.27 2.05 -4.23 -1.23 -1.09 115.64 110.77 3iu8 s THR 234 Ca 0.54 -0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 60.55 3iu8 s THR 234 Cb -0.24 -0.86 0.01 0.00 1.34 0.00 0.00 72.50 72.75 3iu8 s THR 234 CO 0.31 0.31 0.63 0.72 -0.54 0.00 0.00 174.62 176.04 3iu8 s PHE 235 N 0.87 0.01 0.11 3.99 -0.71 -0.78 -2.10 117.98 119.37 3iu8 s PHE 235 Ca -0.11 -0.43 0.03 0.00 -1.04 0.00 0.00 56.93 55.38 3iu8 s PHE 235 Cb -0.15 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 3iu8 s PHE 235 CO 0.01 -1.14 0.13 0.95 -1.34 0.00 0.00 175.22 173.84 3iu8 s THR 236 N -3.95 4.69 -0.12 -4.49 -4.23 -0.06 -0.58 115.64 106.90 3iu8 s THR 236 Ca 0.15 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.87 3iu8 s THR 236 Cb -0.04 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.48 3iu8 s THR 236 CO 0.07 0.03 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.33 3iu8 s ILE 237 N -1.56 2.04 -0.40 2.99 1.01 -0.88 -3.80 121.20 120.60 3iu8 s ILE 237 Ca 0.31 -0.98 0.10 0.00 0.00 0.00 0.00 60.65 60.08 3iu8 s ILE 237 Cb -0.11 -1.79 0.38 0.00 0.01 0.00 0.00 42.46 40.95 3iu8 s ILE 237 CO 0.24 0.55 1.15 -1.84 0.00 0.00 0.00 174.94 175.04 3iu8 n GLU 238 N 3.88 1.11 -2.11 2.79 0.28 -1.26 -2.09 120.64 123.25 3iu8 n GLU 238 Ca -0.20 -2.28 -0.41 0.00 -0.16 0.00 0.00 57.16 54.12 3iu8 n GLU 238 Cb 0.52 -0.72 -0.02 0.00 1.43 0.00 0.00 31.44 32.65 3iu8 n GLU 238 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3iu8 s PRO 239 N -0.65 4.34 -0.22 3.44 0.04 -1.23 -4.77 135.00 135.94 3iu8 s PRO 239 Ca 0.25 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.40 3iu8 s PRO 239 Cb 0.37 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 3iu8 s PRO 239 CO -0.06 -0.29 0.09 -1.64 0.04 0.00 0.00 177.00 175.14 3iu8 s MET 240 N -0.72 3.85 -0.06 4.56 -1.94 -1.26 -3.54 119.30 120.19 3iu8 s MET 240 Ca 0.55 -0.39 0.05 0.00 -1.71 0.00 0.00 55.69 54.19 3iu8 s MET 240 Cb -0.39 -3.34 -0.00 0.00 2.01 0.00 0.00 34.83 33.11 3iu8 s MET 240 CO 0.44 0.02 -0.21 0.42 -0.01 0.00 0.00 175.02 175.68 3iu8 s ILE 241 N 1.08 1.79 -0.06 2.53 1.01 -0.25 -1.42 121.20 125.88 3iu8 s ILE 241 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3iu8 s ILE 241 Cb -0.14 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3iu8 s ILE 241 CO 0.04 0.50 -0.12 0.20 0.00 0.00 0.00 174.94 175.56 3iu8 s ASN 242 N 0.05 4.24 0.20 3.58 -0.87 0.45 -1.89 114.94 120.70 3iu8 s ASN 242 Ca -0.07 -0.15 0.03 0.00 -1.57 0.00 0.00 52.86 51.10 3iu8 s ASN 242 Cb -0.14 -1.01 0.14 0.00 -0.02 0.00 0.00 41.25 40.22 3iu8 s ASN 242 CO 0.04 0.34 1.48 -0.07 -2.57 0.00 0.00 177.10 176.32 3iu8 h LEU 243 N 5.42 0.30 0.00 0.60 3.38 -1.65 -1.41 115.31 121.94 3iu8 h LEU 243 Ca -0.46 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3iu8 h LEU 243 Cb 1.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3iu8 h LEU 243 CO 0.51 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.56 3iu8 n GLY 244 N 0.50 3.15 3.84 0.83 0.00 -1.26 -4.78 105.19 107.47 3iu8 n GLY 244 Ca -0.03 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 3iu8 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu8 s ALA 245 N -2.61 2.92 -0.54 4.61 0.00 -1.26 -4.45 121.76 120.42 3iu8 s ALA 245 Ca 0.00 0.07 0.24 0.00 0.00 0.00 0.00 51.96 52.27 3iu8 s ALA 245 Cb 0.00 -3.13 0.94 0.00 0.00 0.00 0.00 23.12 20.93 3iu8 s ALA 245 CO 0.00 -0.80 1.73 1.28 0.00 0.00 0.00 175.76 177.98 3iu8 n LEU 246 N -2.60 0.72 -4.78 0.00 4.77 -1.26 -4.81 117.00 109.05 3iu8 n LEU 246 Ca 0.07 0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 56.28 3iu8 n LEU 246 Cb 0.54 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3iu8 n LEU 246 CO 0.54 -0.46 1.12 -1.81 -1.33 0.00 0.00 177.39 175.46 3iu8 s ASP 247 N -4.35 6.22 0.20 -1.43 1.11 -1.26 -4.90 116.67 112.26 3iu8 s ASP 247 Ca 0.06 3.03 -0.02 0.00 0.18 0.00 0.00 52.55 55.79 3iu8 s ASP 247 Cb 0.10 -2.67 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 3iu8 s ASP 247 CO 0.45 -0.95 0.16 -0.72 1.18 0.00 0.00 175.17 175.29 3iu8 s TYR 248 N -1.14 1.03 0.05 4.23 -0.85 -1.26 -0.83 117.35 118.58 3iu8 s TYR 248 Ca 0.55 -1.29 -0.01 0.00 -0.52 0.00 0.00 57.07 55.80 3iu8 s TYR 248 Cb -0.46 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.37 3iu8 s TYR 248 CO 0.62 -0.66 -0.03 -1.21 -1.52 0.00 0.00 175.55 172.74 3iu8 s GLU 249 N -4.13 0.61 -0.10 -3.49 2.02 0.09 -4.76 118.70 108.93 3iu8 s GLU 249 Ca 0.35 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.15 3iu8 s GLU 249 Cb 0.06 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.45 3iu8 s GLU 249 CO 0.10 -0.10 -0.10 0.42 0.02 0.00 0.00 175.26 175.60 3iu8 s ILE 250 N -3.78 3.35 1.00 -1.63 1.01 -1.26 -0.27 121.20 119.61 3iu8 s ILE 250 Ca 0.06 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3iu8 s ILE 250 Cb 0.07 -2.39 0.19 0.00 0.01 0.00 0.00 42.46 40.34 3iu8 s ILE 250 CO -0.09 0.55 1.09 0.26 0.00 0.00 0.00 174.94 176.75 3iu8 s TRP 251 N -0.14 1.67 0.59 3.97 0.51 -0.18 -4.87 118.94 120.49 3iu8 s TRP 251 Ca 0.00 1.48 0.29 0.00 -2.12 0.00 0.00 56.10 55.75 3iu8 s TRP 251 Cb -0.13 -3.21 1.74 0.00 -0.81 0.00 0.00 33.47 31.06 3iu8 s TRP 251 CO 0.03 -3.10 2.17 -0.44 -0.51 0.00 0.00 176.95 175.10 3iu8 h ASP 252 N -2.08 0.00 0.16 2.95 3.32 -2.00 0.20 116.42 118.98 3iu8 h ASP 252 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3iu8 h ASP 252 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3iu8 h ASP 252 CO 0.47 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.09 3iu8 n ASP 253 N -3.80 0.58 0.00 6.45 5.68 -1.26 -4.85 116.55 119.36 3iu8 n ASP 253 Ca -0.00 0.74 0.00 0.00 -0.50 0.00 0.00 54.79 55.02 3iu8 n ASP 253 Cb 0.22 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 3iu8 n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iu8 n GLY 254 N -1.01 0.92 0.43 6.12 0.00 0.72 -4.84 105.19 107.52 3iu8 n GLY 254 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3iu8 n GLY 254 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iu8 n TRP 255 N -2.04 0.00 -2.36 1.61 7.02 -1.26 -4.95 117.44 115.45 3iu8 n TRP 255 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 3iu8 n TRP 255 Cb 0.00 0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 28.88 3iu8 n TRP 255 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3iu8 s THR 256 N -1.96 4.12 -0.29 -0.99 2.01 -1.26 -4.67 115.64 112.60 3iu8 s THR 256 Ca 0.00 1.41 -0.08 0.00 0.31 0.00 0.00 61.69 63.33 3iu8 s THR 256 Cb 0.00 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 3iu8 s THR 256 CO 0.00 -0.07 0.11 -0.69 -0.69 0.00 0.00 174.62 173.28 3iu8 s VAL 257 N 3.03 4.32 0.13 3.82 1.01 -0.91 -1.01 120.40 130.79 3iu8 s VAL 257 Ca 0.58 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 62.18 3iu8 s VAL 257 Cb -0.25 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3iu8 s VAL 257 CO 0.20 0.12 -0.21 0.68 0.00 0.00 0.00 175.10 175.88 3iu8 s VAL 258 N 1.57 2.61 0.35 2.92 -7.23 0.63 0.23 120.40 121.48 3iu8 s VAL 258 Ca 0.04 -1.64 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 3iu8 s VAL 258 Cb -0.17 -2.19 -0.11 0.00 0.56 0.00 0.00 36.38 34.47 3iu8 s VAL 258 CO 0.04 0.07 1.51 0.42 -0.31 0.00 0.00 175.10 176.83 3iu8 s THR 259 N -1.18 2.11 0.27 5.32 -4.23 -0.43 -0.73 115.64 116.77 3iu8 s THR 259 Ca 0.17 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 3iu8 s THR 259 Cb -0.10 -3.06 0.02 0.00 1.34 0.00 0.00 72.50 70.70 3iu8 s THR 259 CO 0.09 0.02 1.66 0.50 -0.54 0.00 0.00 174.62 176.35 3iu8 h LYS 260 N 3.61 0.34 -0.17 3.99 3.64 -1.28 -2.97 116.57 123.73 3iu8 h LYS 260 Ca -0.50 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 3iu8 h LYS 260 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3iu8 h LYS 260 CO 0.69 0.70 0.00 -0.40 -2.27 0.00 0.00 179.45 178.17 3iu8 n ASP 261 N -4.02 1.80 -0.48 4.20 5.68 -1.26 -4.92 116.55 117.54 3iu8 n ASP 261 Ca -0.02 -1.72 -0.06 0.00 -0.50 0.00 0.00 54.79 52.49 3iu8 n ASP 261 Cb 0.49 -0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 40.34 3iu8 n ASP 261 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iu8 n ARG 262 N 0.41 -1.34 -2.22 0.11 5.12 -1.12 -4.99 116.66 112.63 3iu8 n ARG 262 Ca 0.16 0.65 -0.33 0.00 -1.93 0.00 0.00 57.85 56.41 3iu8 n ARG 262 Cb 0.35 -4.79 -0.01 0.00 -1.16 0.00 0.00 32.46 26.86 3iu8 n ARG 262 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iu8 s LYS 263 N -2.23 3.60 0.59 5.56 1.02 -1.26 -4.67 119.74 122.34 3iu8 s LYS 263 Ca 0.00 1.12 -0.08 0.00 0.02 0.00 0.00 55.97 57.03 3iu8 s LYS 263 Cb 0.00 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 3iu8 s LYS 263 CO 0.00 -0.57 0.94 -1.58 -0.92 0.00 0.00 175.35 173.22 3iu8 s TRP 264 N -2.49 3.48 -0.04 3.18 0.52 -1.26 -4.47 118.94 117.87 3iu8 s TRP 264 Ca 0.62 0.97 -0.11 0.00 0.02 0.00 0.00 56.10 57.60 3iu8 s TRP 264 Cb -0.14 -2.65 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 3iu8 s TRP 264 CO 0.33 -0.67 0.26 -0.08 0.02 0.00 0.00 176.95 176.81 3iu8 s THR 265 N -3.04 0.05 0.08 2.01 -1.32 -0.65 -1.79 115.64 110.98 3iu8 s THR 265 Ca 0.53 -0.38 0.03 0.00 -1.21 0.00 0.00 61.69 60.66 3iu8 s THR 265 Cb -0.11 -0.50 -0.03 0.00 -1.51 0.00 0.00 72.50 70.35 3iu8 s THR 265 CO 0.49 -0.21 -0.09 0.00 -2.21 0.00 0.00 174.62 172.60 3iu8 s ALA 266 N -0.88 0.93 -0.07 11.08 0.00 -0.79 -4.59 121.76 127.42 3iu8 s ALA 266 Ca -0.10 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 3iu8 s ALA 266 Cb -0.05 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.13 3iu8 s ALA 266 CO 0.02 -0.03 0.27 -1.14 0.00 0.00 0.00 175.76 174.88 3iu8 s GLN 267 N -2.41 0.44 0.16 0.00 0.74 -1.26 -1.09 119.66 116.23 3iu8 s GLN 267 Ca 0.00 0.15 0.06 0.00 0.05 0.00 0.00 55.36 55.62 3iu8 s GLN 267 Cb -0.05 0.20 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 3iu8 s GLN 267 CO -0.00 -0.08 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.47 3iu8 s PHE 268 N -0.41 1.46 -0.19 1.67 0.40 -1.23 -2.94 117.98 116.74 3iu8 s PHE 268 Ca -0.05 -0.64 -0.15 0.00 -0.60 0.00 0.00 56.93 55.49 3iu8 s PHE 268 Cb -0.03 -0.72 0.05 0.00 0.51 0.00 0.00 43.02 42.83 3iu8 s PHE 268 CO 0.02 0.20 0.49 -2.00 0.70 0.00 0.00 175.22 174.62 3iu8 s GLU 269 N -3.41 0.54 0.10 0.44 2.12 -0.52 -3.50 118.70 114.47 3iu8 s GLU 269 Ca 0.16 0.77 0.04 0.00 0.36 0.00 0.00 54.97 56.31 3iu8 s GLU 269 Cb -0.01 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 3iu8 s GLU 269 CO 0.03 -0.10 -0.11 -1.01 -0.54 0.00 0.00 175.26 173.53 3iu8 s HIS 270 N 0.73 1.14 -0.16 5.30 3.76 -0.89 -1.76 115.29 123.42 3iu8 s HIS 270 Ca -0.04 -0.64 -0.15 0.00 -0.15 0.00 0.00 55.06 54.09 3iu8 s HIS 270 Cb -0.05 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 3iu8 s HIS 270 CO -0.05 0.03 0.34 0.99 -0.85 0.00 0.00 174.74 175.20 3iu8 s THR 271 N -2.41 5.27 0.16 1.30 2.01 -1.15 -2.07 115.64 118.76 3iu8 s THR 271 Ca 0.07 0.64 0.11 0.00 0.31 0.00 0.00 61.69 62.81 3iu8 s THR 271 Cb -0.03 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3iu8 s THR 271 CO 0.01 0.36 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.30 3iu8 s LEU 272 N 0.58 2.39 -0.09 4.42 1.43 0.26 -0.64 118.68 127.03 3iu8 s LEU 272 Ca 0.18 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3iu8 s LEU 272 Cb -0.14 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3iu8 s LEU 272 CO 0.05 0.11 -0.21 -0.22 0.23 0.00 0.00 176.35 176.32 3iu8 s LEU 273 N -2.42 2.31 -0.14 1.79 2.96 0.06 -1.87 118.68 121.37 3iu8 s LEU 273 Ca 0.17 -0.44 -0.25 0.00 -0.22 0.00 0.00 54.13 53.38 3iu8 s LEU 273 Cb -0.08 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 3iu8 s LEU 273 CO 0.08 0.22 0.79 -0.69 -1.32 0.00 0.00 176.35 175.43 3iu8 s VAL 274 N 0.03 4.93 0.43 1.68 1.01 -0.25 -0.88 120.40 127.34 3iu8 s VAL 274 Ca -0.08 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.54 3iu8 s VAL 274 Cb -0.15 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.18 3iu8 s VAL 274 CO 0.05 0.09 0.49 0.35 0.00 0.00 0.00 175.10 176.08 3iu8 n THR 275 N 4.46 0.00 0.30 3.92 -2.24 -0.36 -0.27 114.28 120.10 3iu8 n THR 275 Ca 0.03 -1.53 0.19 0.00 -2.27 0.00 0.00 64.05 60.47 3iu8 n THR 275 Cb 0.50 -0.44 0.89 0.00 -2.10 0.00 0.00 70.33 69.17 3iu8 n THR 275 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3iu8 h ASP 276 N 0.24 0.00 0.00 3.42 3.45 -1.96 -3.30 116.42 118.26 3iu8 h ASP 276 Ca -0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.23 3iu8 h ASP 276 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3iu8 h ASP 276 CO 0.34 0.00 -0.71 0.35 -1.57 0.00 0.00 179.24 177.65 3iu8 n THR 277 N -2.99 0.00 0.00 0.35 -2.24 -1.26 -4.82 114.28 103.32 3iu8 n THR 277 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3iu8 n THR 277 Cb 0.19 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3iu8 n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iu8 n GLY 278 N 2.04 0.20 3.09 3.38 0.00 -1.24 -4.76 105.19 107.89 3iu8 n GLY 278 Ca -0.00 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 3iu8 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu8 s VAL 279 N 2.46 0.57 -0.07 1.61 0.11 -1.21 -1.22 120.40 122.65 3iu8 s VAL 279 Ca 0.00 -1.30 0.02 0.00 -2.93 0.00 0.00 61.98 57.77 3iu8 s VAL 279 Cb 0.00 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3iu8 s VAL 279 CO 0.00 -0.51 -0.11 -0.70 -3.33 0.00 0.00 175.10 170.45 3iu8 s GLU 280 N -2.16 1.61 -0.18 1.54 2.12 -0.06 -4.87 118.70 116.70 3iu8 s GLU 280 Ca -0.04 -0.37 -0.29 0.00 0.36 0.00 0.00 54.97 54.63 3iu8 s GLU 280 Cb -0.06 -1.39 0.00 0.00 0.26 0.00 0.00 34.13 32.94 3iu8 s GLU 280 CO -0.01 -0.02 1.00 0.42 -0.54 0.00 0.00 175.26 176.11 3iu8 s ILE 281 N 0.82 4.74 -0.09 -3.70 1.01 -1.26 -0.76 121.20 121.96 3iu8 s ILE 281 Ca -0.12 1.98 0.14 0.00 0.00 0.00 0.00 60.65 62.66 3iu8 s ILE 281 Cb -0.15 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 37.93 3iu8 s ILE 281 CO 0.02 -0.10 1.04 -0.07 0.00 0.00 0.00 174.94 175.83 3iu8 h LEU 282 N 8.87 0.00 -5.23 2.97 3.38 -1.22 -3.36 115.31 120.72 3iu8 h LEU 282 Ca -0.24 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.07 3iu8 h LEU 282 Cb 1.10 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.67 3iu8 h LEU 282 CO 0.92 0.67 1.32 0.35 0.09 0.00 0.00 178.44 181.79 3iu8 n THR 283 N -3.07 4.46 -4.25 0.22 -2.24 -1.21 -3.26 114.28 104.93 3iu8 n THR 283 Ca -0.06 -4.04 -0.31 0.00 -2.27 0.00 0.00 64.05 57.37 3iu8 n THR 283 Cb 0.85 -1.73 -0.09 0.00 -2.10 0.00 0.00 70.33 67.26 3iu8 n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50