#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu7 s SER 3 N 0.00 5.45 0.91 3.54 0.01 -1.26 -5.00 113.70 117.34 3iu7 s SER 3 Ca 0.00 -0.56 -0.11 0.00 1.31 0.00 0.00 55.95 56.59 3iu7 s SER 3 Cb 0.00 -0.50 0.14 0.00 0.21 0.00 0.00 66.02 65.87 3iu7 s SER 3 CO 0.00 -0.82 1.10 0.00 0.41 0.00 0.00 173.24 173.93 3iu7 s ARG 4 N -4.34 1.15 1.03 12.44 1.70 -1.26 -5.06 118.95 124.61 3iu7 s ARG 4 Ca 0.54 1.07 -0.12 0.00 -0.47 0.00 0.00 55.73 56.75 3iu7 s ARG 4 Cb -0.08 -1.78 0.21 0.00 -0.57 0.00 0.00 34.95 32.73 3iu7 s ARG 4 CO 0.32 -2.38 1.07 -0.08 -1.08 0.00 0.00 175.30 173.16 3iu7 s THR 5 N -2.80 2.15 0.44 4.99 -1.32 -1.26 -5.02 115.64 112.81 3iu7 s THR 5 Ca 0.64 0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.92 3iu7 s THR 5 Cb -0.20 -2.38 -0.09 0.00 -1.51 0.00 0.00 72.50 68.32 3iu7 s THR 5 CO 0.58 -0.06 1.28 0.00 -2.21 0.00 0.00 174.62 174.20 3iu7 n ALA 6 N -4.38 1.33 -1.77 11.08 0.00 -1.26 -4.98 120.51 120.53 3iu7 n ALA 6 Ca 0.05 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 3iu7 n ALA 6 Cb 0.56 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 17.74 3iu7 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iu7 s LEU 7 N -1.88 3.30 0.11 0.00 1.43 -1.26 -5.10 118.68 115.28 3iu7 s LEU 7 Ca 0.62 1.53 0.04 0.00 -1.03 0.00 0.00 54.13 55.29 3iu7 s LEU 7 Cb -0.49 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.20 3iu7 s LEU 7 CO 0.57 -1.00 -0.10 -0.44 0.23 0.00 0.00 176.35 175.61 3iu7 s SER 8 N -3.76 1.56 0.61 2.29 0.01 -1.26 -5.15 113.70 108.00 3iu7 s SER 8 Ca 0.57 -0.90 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 3iu7 s SER 8 Cb -0.12 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 3iu7 s SER 8 CO 0.49 -0.30 1.13 -2.16 0.41 0.00 0.00 173.24 172.81 3iu7 s PRO 9 N -3.20 3.01 0.00 12.44 0.04 -1.26 -4.97 135.00 141.06 3iu7 s PRO 9 Ca 0.10 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3iu7 s PRO 9 Cb -0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3iu7 s PRO 9 CO -0.00 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.33 3iu7 n GLY 10 N -0.06 4.80 3.64 0.56 0.00 -1.26 -5.05 105.19 107.83 3iu7 n GLY 10 Ca 0.11 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 3iu7 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu7 s VAL 11 N 1.79 3.97 0.25 1.61 0.11 -1.26 -4.85 120.40 122.02 3iu7 s VAL 11 Ca 0.00 -0.57 -0.16 0.00 -2.93 0.00 0.00 61.98 58.32 3iu7 s VAL 11 Cb 0.00 -2.72 -0.08 0.00 -1.53 0.00 0.00 36.38 32.05 3iu7 s VAL 11 CO 0.00 0.45 0.68 -0.76 -3.33 0.00 0.00 175.10 172.15 3iu7 s LEU 12 N -1.29 4.22 0.90 2.54 1.02 -1.26 -1.75 118.68 123.06 3iu7 s LEU 12 Ca 0.17 1.26 -0.12 0.00 0.02 0.00 0.00 54.13 55.45 3iu7 s LEU 12 Cb -0.11 -3.73 0.13 0.00 0.02 0.00 0.00 46.19 42.50 3iu7 s LEU 12 CO 0.07 -0.06 1.12 -0.94 0.02 0.00 0.00 176.35 176.56 3iu7 s SER 13 N -1.97 3.55 0.78 2.29 1.04 -1.26 -5.01 113.70 113.11 3iu7 s SER 13 Ca 0.47 1.09 -0.14 0.00 0.48 0.00 0.00 55.95 57.85 3iu7 s SER 13 Cb -0.13 -1.72 0.06 0.00 0.10 0.00 0.00 66.02 64.33 3iu7 s SER 13 CO 0.19 -2.54 1.17 -2.65 0.98 0.00 0.00 173.24 170.39 3iu7 n PRO 14 N -3.78 0.32 -1.73 4.02 -0.02 -1.26 -4.88 135.00 127.67 3iu7 n PRO 14 Ca 0.06 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3iu7 n PRO 14 Cb 0.58 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3iu7 n PRO 14 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3iu7 n THR 15 N -3.06 0.98 -3.11 3.45 -1.04 -1.26 -4.94 114.28 105.30 3iu7 n THR 15 Ca 0.14 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 3iu7 n THR 15 Cb 0.50 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 3iu7 n THR 15 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3iu7 s ARG 16 N -0.44 4.41 0.59 -2.82 0.52 -1.26 -5.04 118.95 114.91 3iu7 s ARG 16 Ca 0.65 0.80 -0.13 0.00 -0.52 0.00 0.00 55.73 56.53 3iu7 s ARG 16 Cb -0.52 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.47 3iu7 s ARG 16 CO 0.48 0.13 1.02 -1.25 0.02 0.00 0.00 175.30 175.70 3iu7 s PRO 17 N 0.59 3.66 -0.08 3.54 0.04 -1.26 -5.08 135.00 136.40 3iu7 s PRO 17 Ca 0.35 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.24 3iu7 s PRO 17 Cb -0.17 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3iu7 s PRO 17 CO 0.17 -0.52 -0.12 0.08 0.04 0.00 0.00 177.00 176.65 3iu7 s VAL 18 N -2.99 1.21 0.46 -0.36 1.01 -1.26 -5.07 120.40 113.40 3iu7 s VAL 18 Ca 0.56 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 3iu7 s VAL 18 Cb -0.11 -1.13 -0.10 0.00 0.00 0.00 0.00 36.38 35.05 3iu7 s VAL 18 CO 0.47 0.38 0.90 -2.65 0.00 0.00 0.00 175.10 174.21 3iu7 n PRO 19 N 4.11 1.11 0.23 2.72 -0.02 -1.26 -4.87 135.00 137.02 3iu7 n PRO 19 Ca -0.20 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 3iu7 n PRO 19 Cb 0.51 -1.97 0.57 0.00 -0.02 0.00 0.00 33.50 32.60 3iu7 n PRO 19 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3iu7 h ASN 20 N 1.16 0.00 0.37 2.55 2.35 -2.04 -2.13 115.58 117.85 3iu7 h ASN 20 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3iu7 h ASN 20 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 3iu7 h ASN 20 CO 0.54 0.19 0.00 -2.67 -1.65 0.00 0.00 177.43 173.85 3iu7 n TRP 21 N -3.93 0.00 -2.91 1.19 4.27 -1.26 -4.54 117.44 110.26 3iu7 n TRP 21 Ca -0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.16 3iu7 n TRP 21 Cb 0.28 -0.32 -0.05 0.00 -1.36 0.00 0.00 31.31 29.87 3iu7 n TRP 21 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3iu7 s ILE 22 N -2.63 4.58 0.29 -1.67 1.01 -0.80 -5.01 121.20 116.97 3iu7 s ILE 22 Ca 0.16 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 3iu7 s ILE 22 Cb 0.12 -4.37 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 3iu7 s ILE 22 CO 0.28 -0.77 1.54 0.00 0.00 0.00 0.00 174.94 175.99 3iu7 s ALA 23 N 3.47 3.70 0.26 9.38 0.00 -1.26 -4.95 121.76 132.36 3iu7 s ALA 23 Ca 0.32 1.50 -0.22 0.00 0.00 0.00 0.00 51.96 53.57 3iu7 s ALA 23 Cb -0.11 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 3iu7 s ALA 23 CO 0.24 -0.91 0.79 1.03 0.00 0.00 0.00 175.76 176.91 3iu7 s ARG 24 N -0.57 4.35 0.82 0.00 3.00 -1.26 -4.64 118.95 120.66 3iu7 s ARG 24 Ca 0.61 1.01 -0.12 0.00 0.00 0.00 0.00 55.73 57.23 3iu7 s ARG 24 Cb -0.46 -2.84 0.09 0.00 0.00 0.00 0.00 34.95 31.74 3iu7 s ARG 24 CO 0.47 0.35 1.15 -2.14 0.00 0.00 0.00 175.30 175.14 3iu7 s PRO 25 N -2.03 1.64 0.55 3.54 0.02 -1.26 -4.90 135.00 132.57 3iu7 s PRO 25 Ca 0.45 1.54 0.34 0.00 0.02 0.00 0.00 61.00 63.35 3iu7 s PRO 25 Cb -0.17 -1.80 1.50 0.00 0.02 0.00 0.00 34.50 34.05 3iu7 s PRO 25 CO 0.22 -2.17 2.04 1.05 -0.33 0.00 0.00 177.00 177.80 3iu7 h GLU 26 N -1.20 0.00 -0.00 5.54 -0.00 -1.97 -2.69 114.58 114.26 3iu7 h GLU 26 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 3iu7 h GLU 26 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 3iu7 h GLU 26 CO 0.46 0.04 -0.14 2.48 -0.00 0.00 0.00 179.01 181.85 3iu7 n TYR 27 N -3.19 0.00 -2.42 2.06 0.18 -1.26 -4.70 117.16 107.82 3iu7 n TYR 27 Ca -0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 3iu7 n TYR 27 Cb 0.27 -0.24 -0.03 0.00 -0.38 0.00 0.00 39.34 38.96 3iu7 n TYR 27 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3iu7 s VAL 28 N -2.63 4.04 0.00 -3.48 1.01 -1.02 -1.72 120.40 116.60 3iu7 s VAL 28 Ca 0.24 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3iu7 s VAL 28 Cb 0.20 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3iu7 s VAL 28 CO 0.51 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3iu7 n GLY 29 N 3.24 0.76 3.53 4.51 0.00 -1.26 -5.04 105.19 110.93 3iu7 n GLY 29 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3iu7 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu7 s LYS 30 N -0.42 1.90 0.35 1.61 1.02 -0.70 -5.07 119.74 118.42 3iu7 s LYS 30 Ca 0.00 -1.61 0.22 0.00 0.02 0.00 0.00 55.97 54.60 3iu7 s LYS 30 Cb 0.00 -1.93 0.21 0.00 -0.52 0.00 0.00 37.83 35.59 3iu7 s LYS 30 CO 0.00 0.35 1.41 -1.00 -0.92 0.00 0.00 175.35 175.19 3iu7 h PRO 31 N 2.24 0.00 0.00 -1.68 0.13 -1.95 -3.42 132.00 127.32 3iu7 h PRO 31 Ca -0.42 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.21 3iu7 h PRO 31 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 3iu7 h PRO 31 CO 0.59 0.05 -0.40 0.00 -0.23 0.00 0.00 178.00 178.01 3iu7 n ALA 32 N -2.14 0.45 -2.46 -0.56 0.00 -1.26 -4.43 120.51 110.10 3iu7 n ALA 32 Ca 0.02 -1.82 -0.25 0.00 0.00 0.00 0.00 53.44 51.39 3iu7 n ALA 32 Cb 0.56 1.15 -0.12 0.00 0.00 0.00 0.00 19.45 21.04 3iu7 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iu7 s ALA 33 N -2.88 2.12 -0.69 0.00 0.00 -1.26 -4.75 121.76 114.29 3iu7 s ALA 33 Ca 0.12 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 3iu7 s ALA 33 Cb 0.01 -0.29 0.15 0.00 0.00 0.00 0.00 23.12 22.99 3iu7 s ALA 33 CO 0.09 0.40 0.72 -0.65 0.00 0.00 0.00 175.76 176.32 3iu7 s GLN 34 N -2.22 3.27 0.07 0.00 -0.21 -1.26 -4.94 119.66 114.37 3iu7 s GLN 34 Ca 0.12 -1.84 -0.26 0.00 0.02 0.00 0.00 55.36 53.40 3iu7 s GLN 34 Cb -0.09 -4.40 0.09 0.00 1.00 0.00 0.00 33.01 29.60 3iu7 s GLN 34 CO 0.06 -1.44 0.81 -1.83 -2.12 0.00 0.00 175.29 170.77 3iu7 s GLU 35 N 1.61 1.03 0.00 2.91 -1.05 -1.26 -4.94 118.70 116.99 3iu7 s GLU 35 Ca 0.14 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 3iu7 s GLU 35 Cb -0.19 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 3iu7 s GLU 35 CO -0.01 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.15 3iu7 n GLY 36 N -0.31 1.14 0.57 -3.83 0.00 -1.17 -4.90 105.19 96.69 3iu7 n GLY 36 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 3iu7 n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iu7 n SER 37 N 0.00 1.21 -4.94 1.61 3.41 -1.12 -4.05 113.62 109.75 3iu7 n SER 37 Ca 0.00 -2.67 -0.24 0.00 -0.26 0.00 0.00 58.87 55.70 3iu7 n SER 37 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3iu7 n SER 37 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3iu7 s GLU 38 N -1.46 3.27 0.60 4.33 8.01 -1.13 -5.06 118.70 127.27 3iu7 s GLU 38 Ca 0.23 -0.31 -0.18 0.00 0.01 0.00 0.00 54.97 54.72 3iu7 s GLU 38 Cb 0.22 -2.55 -0.03 0.00 -4.31 0.00 0.00 34.13 27.46 3iu7 s GLU 38 CO -0.03 -0.14 1.15 -2.14 0.01 0.00 0.00 175.26 174.11 3iu7 s PRO 39 N -4.52 3.01 -0.01 0.39 0.02 -1.26 -4.90 135.00 127.73 3iu7 s PRO 39 Ca 0.46 1.61 0.13 0.00 0.02 0.00 0.00 61.00 63.21 3iu7 s PRO 39 Cb -0.10 -1.96 -0.21 0.00 0.02 0.00 0.00 34.50 32.25 3iu7 s PRO 39 CO 0.39 -1.12 0.72 -1.49 -0.33 0.00 0.00 177.00 175.17 3iu7 h TRP 40 N 0.67 0.00 -3.38 6.54 6.55 -1.96 -3.44 115.95 120.93 3iu7 h TRP 40 Ca -0.49 0.00 -0.58 0.00 0.95 0.00 0.00 58.89 58.77 3iu7 h TRP 40 Cb 1.27 0.00 -0.08 0.00 -0.86 0.00 0.00 29.16 29.49 3iu7 h TRP 40 CO 0.51 0.91 -0.04 0.08 -1.05 0.00 0.00 178.44 178.85 3iu7 s VAL 41 N -2.67 5.12 0.22 1.49 1.01 -1.26 -3.34 120.40 120.96 3iu7 s VAL 41 Ca -0.04 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 3iu7 s VAL 41 Cb 0.08 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3iu7 s VAL 41 CO 0.82 0.25 0.42 -1.10 0.00 0.00 0.00 175.10 175.49 3iu7 s GLN 42 N 1.06 3.54 0.72 2.72 -1.52 0.40 -4.92 119.66 121.65 3iu7 s GLN 42 Ca 0.28 -0.28 -0.12 0.00 -1.95 0.00 0.00 55.36 53.29 3iu7 s GLN 42 Cb -0.16 -2.81 0.03 0.00 -0.22 0.00 0.00 33.01 29.85 3iu7 s GLN 42 CO 0.11 0.37 1.08 0.95 -0.25 0.00 0.00 175.29 177.55 3iu7 s THR 43 N -1.91 3.56 0.32 -0.19 -4.23 -1.26 -4.83 115.64 107.10 3iu7 s THR 43 Ca 0.39 0.56 0.04 0.00 -1.18 0.00 0.00 61.69 61.50 3iu7 s THR 43 Cb -0.11 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.90 3iu7 s THR 43 CO 0.29 -0.61 1.89 -0.65 -0.54 0.00 0.00 174.62 175.00 3iu7 h PRO 44 N -0.68 0.86 -0.46 3.99 0.11 -1.98 -1.14 132.00 132.69 3iu7 h PRO 44 Ca -0.44 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3iu7 h PRO 44 Cb 1.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3iu7 h PRO 44 CO 0.54 0.57 -0.05 0.93 -0.21 0.00 0.00 178.00 179.78 3iu7 h GLU 45 N 0.88 0.84 -0.36 1.05 3.07 -2.00 -1.43 114.58 116.62 3iu7 h GLU 45 Ca 0.42 -0.29 0.03 0.00 -0.50 0.00 0.00 59.36 59.02 3iu7 h GLU 45 Cb 0.42 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 3iu7 h GLU 45 CO -0.18 0.91 0.16 0.28 -1.40 0.00 0.00 179.01 178.78 3iu7 h VAL 46 N 0.68 0.95 -0.85 3.13 2.07 -1.82 -2.61 116.25 117.80 3iu7 h VAL 46 Ca 0.12 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3iu7 h VAL 46 Cb 0.57 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3iu7 h VAL 46 CO 0.03 0.06 0.52 0.40 0.02 0.00 0.00 177.57 178.60 3iu7 h ILE 47 N 0.34 1.24 -0.66 4.57 2.04 -0.98 0.39 117.51 124.44 3iu7 h ILE 47 Ca 0.16 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3iu7 h ILE 47 Cb 0.09 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 3iu7 h ILE 47 CO -0.13 0.25 0.16 -0.08 0.00 0.00 0.00 178.15 178.35 3iu7 h GLU 48 N 1.17 1.05 -0.03 2.37 4.57 -1.13 -1.07 114.58 121.50 3iu7 h GLU 48 Ca 0.31 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 3iu7 h GLU 48 Cb -0.05 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 3iu7 h GLU 48 CO -0.06 0.93 -0.46 0.87 -1.18 0.00 0.00 179.01 179.12 3iu7 h LYS 49 N 1.00 0.08 0.00 1.92 1.57 -1.01 -2.63 116.57 117.50 3iu7 h LYS 49 Ca 0.21 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3iu7 h LYS 49 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3iu7 h LYS 49 CO 0.00 0.52 -0.36 0.52 -0.57 0.00 0.00 179.45 179.57 3iu7 h MET 50 N 0.07 0.00 -0.72 3.15 2.86 -0.10 -1.39 114.93 118.79 3iu7 h MET 50 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3iu7 h MET 50 Cb 0.83 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3iu7 h MET 50 CO 0.06 0.36 0.29 0.00 1.06 0.00 0.00 176.91 178.67 3iu7 h ARG 51 N 0.00 1.07 -0.17 1.72 3.08 -0.84 0.18 114.38 119.42 3iu7 h ARG 51 Ca -0.00 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 3iu7 h ARG 51 Cb 0.67 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3iu7 h ARG 51 CO 0.05 0.87 -0.31 0.28 -1.07 0.00 0.00 179.97 179.78 3iu7 h VAL 52 N 1.05 1.35 -0.79 2.04 2.07 -1.33 -1.45 116.25 119.18 3iu7 h VAL 52 Ca 0.24 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3iu7 h VAL 52 Cb 0.20 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3iu7 h VAL 52 CO -0.02 0.47 0.42 0.00 0.02 0.00 0.00 177.57 178.47 3iu7 h ALA 53 N 0.58 1.26 -0.45 1.67 0.00 -1.19 -1.76 119.26 119.36 3iu7 h ALA 53 Ca 0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3iu7 h ALA 53 Cb 0.90 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3iu7 h ALA 53 CO 0.07 0.60 -0.21 0.78 0.00 0.00 0.00 179.25 180.49 3iu7 h GLY 54 N 1.14 1.02 1.13 0.00 0.00 -0.88 -0.97 103.07 104.50 3iu7 h GLY 54 Ca 0.28 -0.91 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 3iu7 h GLY 54 CO -0.04 0.83 -0.08 -0.09 0.00 0.00 0.00 176.54 177.15 3iu7 h ARG 55 N 0.77 1.03 -0.53 4.80 2.43 -0.98 0.35 114.38 122.25 3iu7 h ARG 55 Ca 0.10 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 3iu7 h ARG 55 Cb 0.78 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3iu7 h ARG 55 CO 0.06 1.05 0.10 0.82 -1.51 0.00 0.00 179.97 180.50 3iu7 h ILE 56 N 0.92 1.25 -0.58 1.20 2.04 -1.17 -0.60 117.51 120.56 3iu7 h ILE 56 Ca 0.15 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3iu7 h ILE 56 Cb 0.64 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3iu7 h ILE 56 CO 0.04 0.33 0.35 0.00 0.00 0.00 0.00 178.15 178.88 3iu7 h ALA 57 N 0.99 0.74 -0.63 1.87 0.00 -1.02 -1.36 119.26 119.86 3iu7 h ALA 57 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iu7 h ALA 57 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3iu7 h ALA 57 CO 0.01 0.22 0.40 0.00 0.00 0.00 0.00 179.25 179.88 3iu7 h ALA 58 N 1.18 1.52 -0.36 0.00 0.00 -0.66 -0.64 119.26 120.29 3iu7 h ALA 58 Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3iu7 h ALA 58 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3iu7 h ALA 58 CO -0.04 0.44 -0.11 0.78 0.00 0.00 0.00 179.25 180.32 3iu7 h GLY 59 N 0.88 0.77 1.00 0.00 0.00 -0.52 -0.33 103.07 104.86 3iu7 h GLY 59 Ca 0.23 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3iu7 h GLY 59 CO -0.05 0.59 0.38 0.00 0.00 0.00 0.00 176.54 177.46 3iu7 h ALA 60 N 0.81 0.84 -0.40 3.60 0.00 -0.98 -0.97 119.26 122.15 3iu7 h ALA 60 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iu7 h ALA 60 Cb 0.63 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3iu7 h ALA 60 CO 0.04 0.33 0.21 1.25 0.00 0.00 0.00 179.25 181.08 3iu7 h LEU 61 N 0.89 0.51 -0.61 0.00 5.85 -1.00 -0.46 115.31 120.48 3iu7 h LEU 61 Ca 0.23 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 3iu7 h LEU 61 Cb 0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3iu7 h LEU 61 CO -0.04 0.47 -0.37 0.00 -0.34 0.00 0.00 178.44 178.15 3iu7 h ALA 62 N 1.06 0.79 -0.36 1.25 0.00 -0.80 0.17 119.26 121.38 3iu7 h ALA 62 Ca 0.14 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3iu7 h ALA 62 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iu7 h ALA 62 CO -0.02 0.65 -0.23 0.93 0.00 0.00 0.00 179.25 180.58 3iu7 h GLU 63 N 0.56 0.78 -0.40 0.00 4.39 -1.03 -0.45 114.58 118.43 3iu7 h GLU 63 Ca 0.05 -0.37 -0.15 0.00 0.34 0.00 0.00 59.36 59.24 3iu7 h GLU 63 Cb 0.90 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 3iu7 h GLU 63 CO 0.08 0.99 -0.33 0.00 -1.16 0.00 0.00 179.01 178.59 3iu7 h ALA 64 N 0.77 0.66 -0.36 3.43 0.00 -0.99 -2.88 119.26 119.89 3iu7 h ALA 64 Ca 0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3iu7 h ALA 64 Cb 0.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3iu7 h ALA 64 CO 0.06 0.67 0.13 0.78 0.00 0.00 0.00 179.25 180.90 3iu7 h GLY 65 N 0.85 0.55 1.82 0.00 0.00 -0.48 -1.77 103.07 104.03 3iu7 h GLY 65 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3iu7 h GLY 65 CO 0.08 0.25 0.07 1.70 0.00 0.00 0.00 176.54 178.64 3iu7 h LYS 66 N 0.51 0.24 -0.00 4.80 3.64 -0.86 -1.98 116.57 122.92 3iu7 h LYS 66 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3iu7 h LYS 66 Cb 0.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3iu7 h LYS 66 CO -0.01 0.20 -0.12 0.00 -2.27 0.00 0.00 179.45 177.25 3iu7 n ALA 67 N -2.51 2.64 -1.81 5.00 0.00 -0.67 -4.84 120.51 118.31 3iu7 n ALA 67 Ca -0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3iu7 n ALA 67 Cb 0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 3iu7 n ALA 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iu7 s VAL 68 N -2.96 2.95 -0.05 0.00 1.01 -0.75 -4.87 120.40 115.73 3iu7 s VAL 68 Ca 0.14 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 3iu7 s VAL 68 Cb 0.19 -3.18 0.11 0.00 0.00 0.00 0.00 36.38 33.50 3iu7 s VAL 68 CO 0.57 -0.01 0.89 0.00 0.00 0.00 0.00 175.10 176.54 3iu7 s ALA 69 N 3.29 -1.84 0.27 5.51 0.00 -1.26 -4.91 121.76 122.81 3iu7 s ALA 69 Ca 0.79 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 53.66 3iu7 s ALA 69 Cb -0.41 0.03 -0.13 0.00 0.00 0.00 0.00 23.12 22.60 3iu7 s ALA 69 CO 0.35 -0.54 1.36 -2.30 0.00 0.00 0.00 175.76 174.64 3iu7 n PRO 70 N 0.18 2.04 0.00 0.00 -0.02 -1.26 -2.37 135.00 133.57 3iu7 n PRO 70 Ca -0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3iu7 n PRO 70 Cb 0.60 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3iu7 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu7 n GLY 71 N 1.77 2.44 3.80 -1.23 0.00 0.87 -4.97 105.19 107.89 3iu7 n GLY 71 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3iu7 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu7 s VAL 72 N -2.64 4.55 0.41 1.61 1.01 -1.00 -4.76 120.40 119.59 3iu7 s VAL 72 Ca 0.00 1.39 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 3iu7 s VAL 72 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 3iu7 s VAL 72 CO 0.00 0.40 0.77 0.42 0.00 0.00 0.00 175.10 176.69 3iu7 s THR 73 N -1.29 4.80 0.30 3.92 -4.23 -1.26 -0.61 115.64 117.27 3iu7 s THR 73 Ca 0.37 0.58 0.21 0.00 -1.18 0.00 0.00 61.69 61.67 3iu7 s THR 73 Cb -0.19 -3.74 0.20 0.00 1.34 0.00 0.00 72.50 70.10 3iu7 s THR 73 CO 0.22 -0.54 1.89 0.71 -0.54 0.00 0.00 174.62 176.37 3iu7 h THR 74 N 1.05 0.80 -0.84 3.99 1.35 -1.22 -2.02 112.91 116.02 3iu7 h THR 74 Ca -0.47 -1.04 -0.02 0.00 -0.55 0.00 0.00 66.41 64.33 3iu7 h THR 74 Cb 1.19 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 69.20 3iu7 h THR 74 CO 0.64 0.25 0.46 -0.78 -0.25 0.00 0.00 175.52 175.83 3iu7 h ASP 75 N 0.00 1.05 -0.31 5.36 3.58 -1.33 -1.65 116.42 123.11 3iu7 h ASP 75 Ca -0.00 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 3iu7 h ASP 75 Cb 0.61 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3iu7 h ASP 75 CO 0.03 0.84 0.09 -0.08 -2.88 0.00 0.00 179.24 177.25 3iu7 h GLU 76 N 1.17 0.57 -0.63 0.28 4.57 -1.65 -0.69 114.58 118.21 3iu7 h GLU 76 Ca 0.30 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.31 3iu7 h GLU 76 Cb 0.03 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3iu7 h GLU 76 CO -0.05 0.52 0.11 -0.07 -1.18 0.00 0.00 179.01 178.35 3iu7 h LEU 77 N 0.56 0.99 -0.77 1.64 3.38 -1.08 -1.71 115.31 118.32 3iu7 h LEU 77 Ca 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3iu7 h LEU 77 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3iu7 h LEU 77 CO -0.00 1.00 0.41 -0.78 0.09 0.00 0.00 178.44 179.15 3iu7 h ASP 78 N 0.95 0.97 -0.38 -0.43 3.58 -0.87 -0.87 116.42 119.36 3iu7 h ASP 78 Ca 0.19 -0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.58 3iu7 h ASP 78 Cb 0.42 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 3iu7 h ASP 78 CO 0.01 0.79 0.13 -0.09 -2.88 0.00 0.00 179.24 177.21 3iu7 h ARG 79 N 1.06 0.28 -0.32 0.28 2.43 -0.83 0.70 114.38 117.99 3iu7 h ARG 79 Ca 0.27 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3iu7 h ARG 79 Cb 0.05 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3iu7 h ARG 79 CO -0.04 0.18 0.18 0.82 -1.51 0.00 0.00 179.97 179.60 3iu7 h ILE 80 N 0.29 1.02 -0.44 1.20 2.04 -0.96 -0.17 117.51 120.48 3iu7 h ILE 80 Ca 0.18 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3iu7 h ILE 80 Cb 0.16 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3iu7 h ILE 80 CO -0.18 0.07 0.14 0.00 0.00 0.00 0.00 178.15 178.18 3iu7 h ALA 81 N 1.15 0.58 0.25 1.87 0.00 -0.85 -0.96 119.26 121.29 3iu7 h ALA 81 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iu7 h ALA 81 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iu7 h ALA 81 CO -0.07 0.22 -0.21 1.25 0.00 0.00 0.00 179.25 180.44 3iu7 h HIS 82 N 0.57 -0.56 -0.52 0.00 -0.00 -0.74 -1.18 115.15 112.72 3iu7 h HIS 82 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.46 3iu7 h HIS 82 Cb 0.26 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 3iu7 h HIS 82 CO 0.01 -0.32 0.10 0.93 -0.00 0.00 0.00 177.93 178.65 3iu7 h GLU 83 N -0.48 0.81 -0.58 5.26 5.08 -0.96 -0.29 114.58 123.41 3iu7 h GLU 83 Ca -0.01 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3iu7 h GLU 83 Cb 0.43 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3iu7 h GLU 83 CO -0.03 0.75 0.27 -0.92 -1.00 0.00 0.00 179.01 178.08 3iu7 h TYR 84 N 0.78 0.85 -0.01 4.33 5.03 -0.79 0.73 116.97 127.89 3iu7 h TYR 84 Ca 0.17 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 3iu7 h TYR 84 Cb 0.33 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 3iu7 h TYR 84 CO 0.02 0.66 0.01 -0.07 -1.32 0.00 0.00 178.16 177.46 3iu7 h LEU 85 N 0.79 0.02 -0.72 2.82 3.38 -0.87 -2.59 115.31 118.14 3iu7 h LEU 85 Ca 0.20 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3iu7 h LEU 85 Cb 0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3iu7 h LEU 85 CO -0.02 0.11 -0.18 0.58 0.09 0.00 0.00 178.44 179.02 3iu7 h VAL 86 N -0.08 1.27 0.00 1.22 2.07 -0.92 -0.13 116.25 119.67 3iu7 h VAL 86 Ca 0.00 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3iu7 h VAL 86 Cb 0.10 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3iu7 h VAL 86 CO -0.00 0.43 -0.06 0.44 0.02 0.00 0.00 177.57 178.40 3iu7 h ASP 87 N 0.71 0.00 -0.43 0.57 3.32 -0.82 -0.02 116.42 119.75 3iu7 h ASP 87 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3iu7 h ASP 87 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3iu7 h ASP 87 CO 0.05 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.22 3iu7 n ASN 88 N -3.44 2.80 -1.05 6.45 3.02 -0.48 -4.94 115.26 117.62 3iu7 n ASN 88 Ca -0.02 -2.15 -0.12 0.00 -0.03 0.00 0.00 54.58 52.27 3iu7 n ASN 88 Cb 0.20 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3iu7 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iu7 n GLY 89 N 1.00 0.77 3.63 7.41 0.00 -0.02 -5.00 105.19 112.98 3iu7 n GLY 89 Ca 0.16 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3iu7 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu7 s ALA 90 N -2.49 3.13 -0.03 4.61 0.00 -0.18 -4.81 121.76 122.00 3iu7 s ALA 90 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 3iu7 s ALA 90 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 3iu7 s ALA 90 CO 0.00 0.65 0.44 -0.47 0.00 0.00 0.00 175.76 176.38 3iu7 s TYR 91 N -1.15 3.67 -0.34 0.00 5.04 -0.06 -3.59 117.35 120.92 3iu7 s TYR 91 Ca 0.21 0.98 -0.29 0.00 -2.44 0.00 0.00 57.07 55.53 3iu7 s TYR 91 Cb -0.11 -2.38 0.00 0.00 0.35 0.00 0.00 41.96 39.82 3iu7 s TYR 91 CO 0.12 0.51 1.36 -2.14 -1.34 0.00 0.00 175.55 174.06 3iu7 s PRO 92 N -0.61 3.77 0.51 4.97 0.02 -1.26 -0.79 135.00 141.61 3iu7 s PRO 92 Ca 0.24 1.14 0.16 0.00 0.02 0.00 0.00 61.00 62.57 3iu7 s PRO 92 Cb -0.16 -3.95 1.24 0.00 0.02 0.00 0.00 34.50 31.65 3iu7 s PRO 92 CO 0.13 -1.31 2.11 0.77 -0.33 0.00 0.00 177.00 178.36 3iu7 h SER 93 N 9.94 0.07 1.09 2.53 0.02 -1.38 -0.06 113.55 125.75 3iu7 h SER 93 Ca -0.27 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3iu7 h SER 93 Cb 1.10 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3iu7 h SER 93 CO 1.05 0.05 0.00 0.71 -1.14 0.00 0.00 176.83 177.50 3iu7 h THR 94 N 0.08 0.00 -2.99 -2.27 1.35 -1.82 -3.37 112.91 103.89 3iu7 h THR 94 Ca 0.07 -0.53 -0.55 0.00 -0.55 0.00 0.00 66.41 64.85 3iu7 h THR 94 Cb 0.19 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 68.05 3iu7 h THR 94 CO -0.01 0.00 1.09 -0.22 -0.25 0.00 0.00 175.52 176.14 3iu7 s LEU 95 N -5.97 3.47 0.00 3.87 2.96 -0.04 -1.53 118.68 121.45 3iu7 s LEU 95 Ca 0.02 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3iu7 s LEU 95 Cb 0.09 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.54 3iu7 s LEU 95 CO 0.54 -1.62 0.00 0.61 -1.32 0.00 0.00 176.35 174.56 3iu7 n GLY 96 N 5.20 0.75 3.62 7.98 0.00 0.23 -4.88 105.19 118.10 3iu7 n GLY 96 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3iu7 n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iu7 s TYR 97 N -2.61 2.80 -1.35 1.61 5.04 -0.58 -2.95 117.35 119.31 3iu7 s TYR 97 Ca 0.00 0.88 -0.06 0.00 -2.44 0.00 0.00 57.07 55.46 3iu7 s TYR 97 Cb 0.00 -4.06 0.03 0.00 0.35 0.00 0.00 41.96 38.29 3iu7 s TYR 97 CO 0.00 -1.39 0.41 1.63 -1.34 0.00 0.00 175.55 174.86 3iu7 n LYS 98 N 7.46 -3.57 -0.98 4.97 5.02 -1.26 -1.00 118.16 128.80 3iu7 n LYS 98 Ca 0.14 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3iu7 n LYS 98 Cb 0.48 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 3iu7 n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iu7 n GLY 99 N -1.21 0.70 3.76 0.72 0.00 -1.15 -4.99 105.19 103.02 3iu7 n GLY 99 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3iu7 n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iu7 s PHE 100 N -2.87 2.72 -2.24 1.61 5.36 -0.17 -4.72 117.98 117.67 3iu7 s PHE 100 Ca 0.00 0.88 0.25 0.00 -0.96 0.00 0.00 56.93 57.10 3iu7 s PHE 100 Cb 0.00 -4.05 0.45 0.00 -0.34 0.00 0.00 43.02 39.08 3iu7 s PHE 100 CO 0.00 -3.43 1.38 -0.35 -1.46 0.00 0.00 175.22 171.36 3iu7 n PRO 101 N 1.79 1.41 -4.57 10.12 -0.04 -1.26 -0.60 135.00 141.86 3iu7 n PRO 101 Ca 0.06 -1.04 -0.27 0.00 -0.04 0.00 0.00 63.50 62.21 3iu7 n PRO 101 Cb 0.38 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 3iu7 n PRO 101 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3iu7 s LYS 102 N -2.30 2.02 0.00 0.54 -0.14 -1.26 -4.83 119.74 113.77 3iu7 s LYS 102 Ca 0.26 -2.25 0.24 0.00 -1.36 0.00 0.00 55.97 52.85 3iu7 s LYS 102 Cb 0.19 -0.74 0.16 0.00 -1.68 0.00 0.00 37.83 35.77 3iu7 s LYS 102 CO 0.46 -0.50 1.24 0.43 -0.76 0.00 0.00 175.35 176.22 3iu7 n SER 103 N -1.39 2.88 -3.72 2.83 7.64 -1.26 -2.76 113.62 117.83 3iu7 n SER 103 Ca -0.09 -1.94 -0.08 0.00 1.01 0.00 0.00 58.87 57.78 3iu7 n SER 103 Cb 0.65 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.89 3iu7 n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iu7 s THR 106 N -0.50 1.86 -0.32 0.00 -4.23 -0.34 -0.92 115.64 111.19 3iu7 s THR 106 Ca 0.07 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3iu7 s THR 106 Cb -0.12 -2.07 0.09 0.00 1.34 0.00 0.00 72.50 71.75 3iu7 s THR 106 CO 0.02 -0.09 0.05 -0.44 -0.54 0.00 0.00 174.62 173.61 3iu7 s SER 107 N 1.23 4.47 0.23 3.99 0.01 0.38 -3.95 113.70 120.07 3iu7 s SER 107 Ca -0.07 -1.90 -0.16 0.00 1.31 0.00 0.00 55.95 55.13 3iu7 s SER 107 Cb -0.19 -1.38 -0.08 0.00 0.21 0.00 0.00 66.02 64.58 3iu7 s SER 107 CO -0.06 -0.37 0.66 -0.76 0.41 0.00 0.00 173.24 173.12 3iu7 s LEU 108 N 1.15 4.26 0.00 2.44 1.02 -1.26 -1.21 118.68 125.07 3iu7 s LEU 108 Ca 0.08 1.24 0.00 0.00 0.02 0.00 0.00 54.13 55.48 3iu7 s LEU 108 Cb -0.19 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.39 3iu7 s LEU 108 CO -0.13 -0.02 0.00 0.59 0.02 0.00 0.00 176.35 176.82 3iu7 n ASN 109 N 0.39 0.00 -0.01 2.29 3.02 -0.30 -0.52 115.26 120.13 3iu7 n ASN 109 Ca -0.01 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.69 3iu7 n ASN 109 Cb 0.52 0.00 0.84 0.00 -0.61 0.00 0.00 39.78 40.52 3iu7 n ASN 109 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3iu7 n GLU 110 N 8.65 0.72 -2.41 3.52 0.00 -1.26 -1.83 120.64 128.03 3iu7 n GLU 110 Ca 0.00 -0.03 -0.43 0.00 0.00 0.00 0.00 57.16 56.70 3iu7 n GLU 110 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 3iu7 n GLU 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3iu7 s VAL 111 N -2.30 4.09 0.10 3.84 1.01 0.32 -1.48 120.40 125.99 3iu7 s VAL 111 Ca 0.38 1.21 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 3iu7 s VAL 111 Cb 0.21 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 3iu7 s VAL 111 CO 0.42 -0.53 1.58 0.40 0.00 0.00 0.00 175.10 176.97 3iu7 h ILE 112 N 6.06 1.23 -2.11 2.22 2.04 -0.44 -3.41 117.51 123.10 3iu7 h ILE 112 Ca -0.26 -0.78 0.22 0.00 1.00 0.00 0.00 64.86 65.03 3iu7 h ILE 112 Cb 1.10 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 38.27 3iu7 h ILE 112 CO 1.04 0.26 0.60 0.00 0.00 0.00 0.00 178.15 180.05 3iu7 n HIS 114 N -0.51 -0.39 -1.89 0.00 8.25 -1.26 -1.96 115.22 117.45 3iu7 n HIS 114 Ca -0.06 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.00 3iu7 n HIS 114 Cb 0.61 -3.07 0.01 0.00 1.12 0.00 0.00 29.99 28.66 3iu7 n HIS 114 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3iu7 s GLY 115 N -2.54 2.92 -0.30 -1.41 0.00 -1.25 -4.07 107.32 100.66 3iu7 s GLY 115 Ca 0.00 1.38 -0.11 0.00 0.00 0.00 0.00 44.72 45.98 3iu7 s GLY 115 CO 0.00 1.98 0.20 -0.42 0.00 0.00 0.00 173.10 174.86 3iu7 s ILE 116 N -1.23 5.20 0.23 0.90 1.01 -1.26 -1.19 121.20 124.85 3iu7 s ILE 116 Ca 0.60 -0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.89 3iu7 s ILE 116 Cb -0.42 -3.56 -0.15 0.00 0.01 0.00 0.00 42.46 38.35 3iu7 s ILE 116 CO 0.53 0.14 1.18 -2.65 0.00 0.00 0.00 174.94 174.14 3iu7 n PRO 117 N 5.07 1.45 -0.05 2.79 -0.02 -1.26 -4.86 135.00 138.11 3iu7 n PRO 117 Ca -0.14 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3iu7 n PRO 117 Cb 0.51 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3iu7 n PRO 117 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3iu7 n ASP 118 N 1.77 0.00 0.00 2.55 5.75 -1.26 -4.64 116.55 120.73 3iu7 n ASP 118 Ca 0.12 -0.04 0.09 0.00 -0.01 0.00 0.00 54.79 54.95 3iu7 n ASP 118 Cb 0.29 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 40.90 3iu7 n ASP 118 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3iu7 n SER 119 N -0.02 0.00 -4.69 -1.12 3.41 -0.71 -1.01 113.62 109.47 3iu7 n SER 119 Ca 0.00 -0.78 -0.45 0.00 -0.26 0.00 0.00 58.87 57.38 3iu7 n SER 119 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3iu7 n SER 119 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iu7 n THR 120 N -0.91 0.08 -3.40 6.66 -1.04 -1.26 -4.84 114.28 109.57 3iu7 n THR 120 Ca 0.13 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.74 3iu7 n THR 120 Cb 0.06 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 66.80 3iu7 n THR 120 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3iu7 s VAL 121 N 0.91 5.19 0.34 12.58 1.01 -1.26 -1.30 120.40 137.87 3iu7 s VAL 121 Ca 0.77 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 63.08 3iu7 s VAL 121 Cb -0.62 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 3iu7 s VAL 121 CO 0.37 0.21 1.26 -0.63 0.00 0.00 0.00 175.10 176.31 3iu7 s ILE 122 N 1.70 2.86 0.27 2.22 1.01 0.22 -4.90 121.20 124.58 3iu7 s ILE 122 Ca 0.16 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.68 3iu7 s ILE 122 Cb -0.15 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3iu7 s ILE 122 CO 0.09 0.18 0.08 0.28 0.00 0.00 0.00 174.94 175.57 3iu7 s THR 123 N -1.19 0.72 0.27 2.92 -1.32 -1.26 -0.09 115.64 115.69 3iu7 s THR 123 Ca 0.50 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.67 3iu7 s THR 123 Cb -0.37 -2.62 -0.12 0.00 -1.51 0.00 0.00 72.50 67.87 3iu7 s THR 123 CO 0.49 -0.05 1.50 0.47 -2.21 0.00 0.00 174.62 174.82 3iu7 n ASP 124 N -0.49 3.30 0.00 8.08 8.00 -1.26 -1.88 116.55 132.30 3iu7 n ASP 124 Ca -0.01 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.64 3iu7 n ASP 124 Cb 0.66 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 3iu7 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iu7 n GLY 125 N 2.10 0.78 3.82 0.44 0.00 0.61 -4.63 105.19 108.31 3iu7 n GLY 125 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3iu7 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iu7 s ASP 126 N -2.60 5.82 -0.08 1.61 1.01 -0.79 -4.59 116.67 117.06 3iu7 s ASP 126 Ca 0.00 1.67 0.05 0.00 0.71 0.00 0.00 52.55 54.98 3iu7 s ASP 126 Cb 0.00 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3iu7 s ASP 126 CO 0.00 -1.14 -0.24 0.27 0.21 0.00 0.00 175.17 174.27 3iu7 s ILE 127 N -2.75 2.14 -0.24 0.77 -4.36 -1.26 -0.61 121.20 114.90 3iu7 s ILE 127 Ca 0.60 -1.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.99 3iu7 s ILE 127 Cb -0.14 -1.80 0.06 0.00 1.25 0.00 0.00 42.46 41.83 3iu7 s ILE 127 CO 0.44 0.56 -0.06 -0.69 0.24 0.00 0.00 174.94 175.43 3iu7 s VAL 128 N 0.04 1.62 -0.08 8.37 1.01 -0.14 -1.16 120.40 130.07 3iu7 s VAL 128 Ca -0.09 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.36 3iu7 s VAL 128 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3iu7 s VAL 128 CO 0.06 -0.09 0.73 0.21 0.00 0.00 0.00 175.10 176.01 3iu7 s ASN 129 N 1.35 7.01 -0.13 3.32 3.84 -0.35 -0.07 114.94 129.91 3iu7 s ASN 129 Ca -0.06 1.21 -0.00 0.00 0.21 0.00 0.00 52.86 54.22 3iu7 s ASN 129 Cb -0.19 -2.43 -0.02 0.00 -0.55 0.00 0.00 41.25 38.07 3iu7 s ASN 129 CO -0.06 -0.16 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.34 3iu7 s ILE 130 N 1.00 3.16 -0.17 -5.21 1.01 -0.44 -0.47 121.20 120.09 3iu7 s ILE 130 Ca 0.38 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3iu7 s ILE 130 Cb -0.18 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.00 3iu7 s ILE 130 CO 0.18 0.53 -0.08 -0.62 0.00 0.00 0.00 174.94 174.95 3iu7 s ASP 131 N 0.24 2.92 0.00 3.58 -1.08 -0.10 -1.99 116.67 120.24 3iu7 s ASP 131 Ca -0.08 -0.67 0.05 0.00 -0.52 0.00 0.00 52.55 51.33 3iu7 s ASP 131 Cb -0.15 -1.04 -0.02 0.00 -1.46 0.00 0.00 42.92 40.26 3iu7 s ASP 131 CO 0.05 -0.15 -0.16 0.54 0.52 0.00 0.00 175.17 175.97 3iu7 s VAL 132 N 1.55 1.30 -0.02 1.11 0.11 -0.50 -1.32 120.40 122.63 3iu7 s VAL 132 Ca 0.01 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 3iu7 s VAL 132 Cb -0.15 -1.11 -0.00 0.00 -1.53 0.00 0.00 36.38 33.59 3iu7 s VAL 132 CO -0.08 0.28 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.97 3iu7 s THR 133 N -0.52 0.89 -0.07 5.04 2.01 -1.26 -1.77 115.64 119.96 3iu7 s THR 133 Ca 0.06 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.65 3iu7 s THR 133 Cb -0.07 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 3iu7 s THR 133 CO 0.00 0.27 -0.13 0.00 -0.69 0.00 0.00 174.62 174.07 3iu7 s ALA 134 N 0.07 2.71 -0.25 7.40 0.00 -0.26 -1.04 121.76 130.39 3iu7 s ALA 134 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3iu7 s ALA 134 Cb -0.08 -1.08 0.04 0.00 0.00 0.00 0.00 23.12 22.00 3iu7 s ALA 134 CO 0.00 0.48 -0.07 -0.47 0.00 0.00 0.00 175.76 175.70 3iu7 s TYR 135 N -0.46 3.11 -0.10 0.00 5.04 0.03 -1.13 117.35 123.85 3iu7 s TYR 135 Ca 0.06 -1.76 -0.19 0.00 -2.44 0.00 0.00 57.07 52.74 3iu7 s TYR 135 Cb -0.12 -2.03 0.04 0.00 0.35 0.00 0.00 41.96 40.21 3iu7 s TYR 135 CO 0.02 -0.78 0.47 -1.50 -1.34 0.00 0.00 175.55 172.42 3iu7 s ILE 136 N 1.27 0.02 -1.75 3.14 2.07 -0.63 -0.88 121.20 124.44 3iu7 s ILE 136 Ca -0.02 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 3iu7 s ILE 136 Cb -0.17 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.68 3iu7 s ILE 136 CO -0.05 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 3iu7 n GLY 137 N 1.87 1.41 2.07 1.50 0.00 -1.26 -2.55 105.19 108.23 3iu7 n GLY 137 Ca -0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 3iu7 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu7 n GLY 138 N -0.91 0.46 3.21 -0.02 0.00 -1.26 -4.98 105.19 101.69 3iu7 n GLY 138 Ca -0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3iu7 n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iu7 s VAL 139 N -1.93 0.35 0.18 1.61 -7.23 -1.06 -4.39 120.40 107.93 3iu7 s VAL 139 Ca 0.00 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 3iu7 s VAL 139 Cb 0.00 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 3iu7 s VAL 139 CO 0.00 -0.35 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.39 3iu7 s HIS 140 N -3.88 2.74 -0.02 2.82 0.09 -0.37 -1.61 115.29 115.06 3iu7 s HIS 140 Ca 0.28 -0.18 0.00 0.00 -0.00 0.00 0.00 55.06 55.16 3iu7 s HIS 140 Cb 0.07 -1.33 0.03 0.00 -0.00 0.00 0.00 32.58 31.34 3iu7 s HIS 140 CO 0.05 0.51 0.02 0.20 -0.00 0.00 0.00 174.74 175.53 3iu7 s GLY 141 N -2.87 0.15 -0.09 -2.22 0.00 -0.28 -4.64 107.32 97.37 3iu7 s GLY 141 Ca 0.26 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.23 3iu7 s GLY 141 CO 0.17 0.63 -0.08 -0.35 0.00 0.00 0.00 173.10 173.46 3iu7 s ASP 142 N 1.01 1.96 -0.02 1.64 3.68 -1.26 -1.11 116.67 122.57 3iu7 s ASP 142 Ca -0.09 -0.28 -0.19 0.00 2.13 0.00 0.00 52.55 54.12 3iu7 s ASP 142 Cb -0.13 -0.80 0.03 0.00 -1.45 0.00 0.00 42.92 40.58 3iu7 s ASP 142 CO -0.02 -0.07 0.40 0.28 0.13 0.00 0.00 175.17 175.88 3iu7 s THR 143 N 1.37 0.04 0.10 1.71 -1.32 -0.73 -2.78 115.64 114.03 3iu7 s THR 143 Ca -0.02 -0.37 -0.14 0.00 -1.21 0.00 0.00 61.69 59.96 3iu7 s THR 143 Cb -0.14 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 70.15 3iu7 s THR 143 CO -0.04 -0.20 0.33 0.54 -2.21 0.00 0.00 174.62 173.04 3iu7 s ASN 144 N -1.34 -0.13 0.01 8.08 2.20 -0.73 -1.41 114.94 121.62 3iu7 s ASN 144 Ca -0.12 -0.37 -0.22 0.00 -0.94 0.00 0.00 52.86 51.20 3iu7 s ASN 144 Cb -0.04 0.42 0.05 0.00 -2.00 0.00 0.00 41.25 39.68 3iu7 s ASN 144 CO 0.05 -0.78 0.51 0.00 -2.94 0.00 0.00 177.10 173.94 3iu7 s ALA 145 N -3.59 -1.29 -0.23 3.54 0.00 -0.84 -0.88 121.76 118.46 3iu7 s ALA 145 Ca 0.02 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.56 3iu7 s ALA 145 Cb 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3iu7 s ALA 145 CO -0.10 -0.43 0.13 0.99 0.00 0.00 0.00 175.76 176.35 3iu7 s THR 146 N -1.98 5.08 -0.11 0.00 2.01 -1.13 -1.32 115.64 118.19 3iu7 s THR 146 Ca -0.08 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 3iu7 s THR 146 Cb -0.01 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 3iu7 s THR 146 CO 0.02 0.36 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.86 3iu7 s PHE 147 N 1.04 2.88 0.35 4.92 0.40 0.89 -4.85 117.98 123.61 3iu7 s PHE 147 Ca 0.06 -0.34 -0.26 0.00 -0.60 0.00 0.00 56.93 55.79 3iu7 s PHE 147 Cb -0.14 -1.82 -0.09 0.00 0.51 0.00 0.00 43.02 41.49 3iu7 s PHE 147 CO 0.04 0.00 1.04 -1.25 0.70 0.00 0.00 175.22 175.75 3iu7 s PRO 148 N -0.04 4.36 -0.28 0.24 0.04 -1.26 -0.96 135.00 137.10 3iu7 s PRO 148 Ca -0.01 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 3iu7 s PRO 148 Cb -0.14 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.67 3iu7 s PRO 148 CO 0.03 0.03 0.02 0.00 0.04 0.00 0.00 177.00 177.12 3iu7 s ALA 149 N -1.52 2.90 0.00 8.56 0.00 0.22 -4.84 121.76 127.07 3iu7 s ALA 149 Ca 0.53 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3iu7 s ALA 149 Cb -0.24 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3iu7 s ALA 149 CO 0.30 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3iu7 n GLY 150 N 4.77 0.35 3.57 0.00 0.00 -1.26 -0.28 105.19 112.34 3iu7 n GLY 150 Ca -0.15 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3iu7 n GLY 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iu7 s ASP 151 N -4.00 6.49 0.00 1.61 1.01 -1.26 -4.67 116.67 115.86 3iu7 s ASP 151 Ca 0.00 0.18 -0.17 0.00 0.71 0.00 0.00 52.55 53.28 3iu7 s ASP 151 Cb 0.00 -2.39 -0.06 0.00 1.01 0.00 0.00 42.92 41.49 3iu7 s ASP 151 CO 0.00 -0.78 0.47 -0.69 0.21 0.00 0.00 175.17 174.38 3iu7 s VAL 152 N 3.13 4.97 0.55 -1.27 1.01 -1.26 -3.62 120.40 123.91 3iu7 s VAL 152 Ca 0.30 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 63.05 3iu7 s VAL 152 Cb -0.13 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3iu7 s VAL 152 CO 0.19 0.53 1.09 0.00 0.00 0.00 0.00 175.10 176.91 3iu7 n ALA 153 N 2.11 0.60 -0.27 5.51 0.00 -1.26 -4.65 120.51 122.55 3iu7 n ALA 153 Ca -0.12 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.46 3iu7 n ALA 153 Cb 0.52 -2.18 0.20 0.00 0.00 0.00 0.00 19.45 17.99 3iu7 n ALA 153 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3iu7 h ASP 154 N 0.96 0.41 -0.03 0.00 3.32 -1.98 0.55 116.42 119.64 3iu7 h ASP 154 Ca -0.48 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 3iu7 h ASP 154 Cb 1.34 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 3iu7 h ASP 154 CO 0.54 0.17 -0.15 -0.08 -1.72 0.00 0.00 179.24 178.00 3iu7 h GLU 155 N 0.54 0.35 0.15 3.56 4.81 -1.99 -0.37 114.58 121.63 3iu7 h GLU 155 Ca 0.43 -0.09 -0.32 0.00 -0.13 0.00 0.00 59.36 59.24 3iu7 h GLU 155 Cb 0.61 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3iu7 h GLU 155 CO -0.37 0.50 -1.59 0.45 -0.73 0.00 0.00 179.01 177.26 3iu7 h HIS 156 N 0.33 0.59 -0.13 0.92 3.86 -1.57 -2.22 115.15 116.93 3iu7 h HIS 156 Ca 0.06 -0.43 0.02 0.00 -1.16 0.00 0.00 60.37 58.86 3iu7 h HIS 156 Cb 0.46 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3iu7 h HIS 156 CO 0.01 1.49 -0.01 -0.09 0.86 0.00 0.00 177.93 180.19 3iu7 h ARG 157 N 0.09 0.02 -0.66 2.45 2.43 -0.73 -2.25 114.38 115.74 3iu7 h ARG 157 Ca -0.28 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 3iu7 h ARG 157 Cb 2.06 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.57 3iu7 h ARG 157 CO 0.18 0.02 0.23 -0.07 -1.51 0.00 0.00 179.97 178.81 3iu7 h LEU 158 N 0.02 0.91 -0.60 3.80 3.38 -1.13 -0.70 115.31 121.00 3iu7 h LEU 158 Ca 0.06 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3iu7 h LEU 158 Cb 0.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3iu7 h LEU 158 CO -0.11 0.84 0.33 0.25 0.09 0.00 0.00 178.44 179.84 3iu7 h LEU 159 N 0.96 0.50 -0.04 1.67 5.85 -1.11 0.50 115.31 123.64 3iu7 h LEU 159 Ca 0.22 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3iu7 h LEU 159 Cb 0.24 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3iu7 h LEU 159 CO -0.01 0.33 -0.00 0.58 -0.34 0.00 0.00 178.44 179.00 3iu7 h VAL 160 N 0.63 1.27 -0.89 1.05 2.07 -1.02 -0.59 116.25 118.76 3iu7 h VAL 160 Ca 0.26 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3iu7 h VAL 160 Cb 0.13 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3iu7 h VAL 160 CO -0.16 0.22 0.57 0.44 0.02 0.00 0.00 177.57 178.66 3iu7 h ASP 161 N -0.25 1.04 0.85 0.57 3.32 -0.94 -1.42 116.42 119.60 3iu7 h ASP 161 Ca 0.01 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 3iu7 h ASP 161 Cb 0.35 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3iu7 h ASP 161 CO 0.00 0.77 -0.69 0.03 -1.72 0.00 0.00 179.24 177.64 3iu7 h ARG 162 N 1.22 0.00 -0.38 3.56 3.08 -0.81 -1.16 114.38 119.89 3iu7 h ARG 162 Ca 0.32 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.29 3iu7 h ARG 162 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3iu7 h ARG 162 CO -0.07 0.69 -0.08 1.15 -1.07 0.00 0.00 179.97 180.59 3iu7 h THR 163 N 0.00 1.27 -0.65 2.04 2.02 -0.76 0.93 112.91 117.77 3iu7 h THR 163 Ca -0.01 -1.16 0.05 0.00 0.77 0.00 0.00 66.41 66.06 3iu7 h THR 163 Cb 1.30 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 3iu7 h THR 163 CO 0.09 0.39 0.37 -0.09 0.37 0.00 0.00 175.52 176.64 3iu7 h ARG 164 N 0.54 0.68 -0.55 6.66 2.43 -1.17 -1.32 114.38 121.65 3iu7 h ARG 164 Ca 0.10 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3iu7 h ARG 164 Cb 0.60 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3iu7 h ARG 164 CO 0.04 0.45 0.04 1.49 -1.51 0.00 0.00 179.97 180.48 3iu7 h GLU 165 N 0.70 0.95 -0.67 0.20 4.57 -1.08 -0.94 114.58 118.31 3iu7 h GLU 165 Ca 0.28 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 3iu7 h GLU 165 Cb 0.13 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3iu7 h GLU 165 CO -0.15 0.94 0.35 0.00 -1.18 0.00 0.00 179.01 178.97 3iu7 h ALA 166 N 0.98 0.91 -0.41 2.92 0.00 -0.56 0.85 119.26 123.94 3iu7 h ALA 166 Ca 0.16 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3iu7 h ALA 166 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3iu7 h ALA 166 CO 0.02 -0.00 0.16 1.15 0.00 0.00 0.00 179.25 180.58 3iu7 h THR 167 N 0.64 1.20 -0.42 0.00 2.02 -0.91 -1.34 112.91 114.11 3iu7 h THR 167 Ca 0.31 -0.63 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 3iu7 h THR 167 Cb 0.25 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3iu7 h THR 167 CO -0.21 0.23 -0.20 0.24 0.37 0.00 0.00 175.52 175.95 3iu7 h MET 168 N 0.52 0.82 -0.56 6.66 2.07 -0.75 -0.56 114.93 123.12 3iu7 h MET 168 Ca 0.14 -0.32 -0.06 0.00 -2.07 0.00 0.00 59.70 57.39 3iu7 h MET 168 Cb 0.20 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.87 3iu7 h MET 168 CO -0.01 0.95 0.12 0.00 1.07 0.00 0.00 176.91 179.03 3iu7 h ARG 169 N 0.72 0.88 -0.40 1.72 3.08 -0.68 -0.69 114.38 119.01 3iu7 h ARG 169 Ca 0.10 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3iu7 h ARG 169 Cb 0.71 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3iu7 h ARG 169 CO 0.05 0.80 0.04 0.00 -1.07 0.00 0.00 179.97 179.79 3iu7 h ALA 170 N 1.28 0.53 -0.89 0.04 0.00 -0.91 -2.66 119.26 116.66 3iu7 h ALA 170 Ca 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3iu7 h ALA 170 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3iu7 h ALA 170 CO 0.00 0.27 0.59 0.82 0.00 0.00 0.00 179.25 180.94 3iu7 h ILE 171 N 0.52 1.23 0.00 0.00 2.04 -0.75 -1.69 117.51 118.85 3iu7 h ILE 171 Ca 0.12 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3iu7 h ILE 171 Cb 0.42 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3iu7 h ILE 171 CO 0.01 0.22 0.00 0.59 0.00 0.00 0.00 178.15 178.97 3iu7 n ASN 172 N -4.40 0.00 0.06 1.72 3.02 -0.30 -1.58 115.26 113.79 3iu7 n ASN 172 Ca 0.10 -0.54 0.12 0.00 -0.03 0.00 0.00 54.58 54.23 3iu7 n ASN 172 Cb 0.02 -0.09 0.17 0.00 -0.61 0.00 0.00 39.78 39.27 3iu7 n ASN 172 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3iu7 h THR 173 N 0.00 0.00 -2.85 3.41 1.35 -1.06 -3.47 112.91 110.29 3iu7 h THR 173 Ca 0.00 -0.51 -0.55 0.00 -0.55 0.00 0.00 66.41 64.80 3iu7 h THR 173 Cb 0.07 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 3iu7 h THR 173 CO 0.00 0.00 0.89 -0.69 -0.25 0.00 0.00 175.52 175.47 3iu7 s VAL 174 N -3.17 3.74 -0.19 6.82 1.01 -0.61 -4.96 120.40 123.03 3iu7 s VAL 174 Ca 0.06 1.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 3iu7 s VAL 174 Cb 0.13 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.90 3iu7 s VAL 174 CO 0.72 -0.03 0.73 -0.75 0.00 0.00 0.00 175.10 175.77 3iu7 s LYS 175 N 2.82 0.89 0.43 2.72 2.20 -1.26 -3.55 119.74 123.99 3iu7 s LYS 175 Ca 0.65 0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 56.69 3iu7 s LYS 175 Cb -0.31 0.43 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 3iu7 s LYS 175 CO 0.26 -0.18 1.41 -1.25 -0.36 0.00 0.00 175.35 175.23 3iu7 s PRO 176 N -0.23 3.83 0.00 4.03 0.04 -1.26 -2.33 135.00 139.08 3iu7 s PRO 176 Ca -0.04 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3iu7 s PRO 176 Cb -0.03 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.76 3iu7 s PRO 176 CO 0.04 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.80 3iu7 n GLY 177 N 0.58 3.23 3.80 0.56 0.00 0.54 -4.99 105.19 108.90 3iu7 n GLY 177 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3iu7 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iu7 s ARG 178 N -0.51 4.28 0.23 1.61 0.52 -0.99 -4.77 118.95 119.33 3iu7 s ARG 178 Ca 0.00 1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 56.14 3iu7 s ARG 178 Cb 0.00 -2.37 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 3iu7 s ARG 178 CO 0.00 0.01 1.38 0.00 0.02 0.00 0.00 175.30 176.71 3iu7 s ALA 179 N -1.97 3.58 0.47 2.13 0.00 -1.26 -0.46 121.76 124.25 3iu7 s ALA 179 Ca 0.59 1.23 0.19 0.00 0.00 0.00 0.00 51.96 53.98 3iu7 s ALA 179 Cb -0.13 -3.52 1.20 0.00 0.00 0.00 0.00 23.12 20.67 3iu7 s ALA 179 CO 0.18 -0.65 1.97 1.25 0.00 0.00 0.00 175.76 178.50 3iu7 h LEU 180 N 5.05 0.21 -2.07 0.00 5.85 -1.33 -1.23 115.31 121.80 3iu7 h LEU 180 Ca -0.46 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3iu7 h LEU 180 Cb 1.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3iu7 h LEU 180 CO 0.77 0.12 0.00 0.77 -0.34 0.00 0.00 178.44 179.75 3iu7 h SER 181 N 0.23 0.00 0.18 1.25 4.64 -1.83 -2.12 113.55 115.90 3iu7 h SER 181 Ca 0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 3iu7 h SER 181 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3iu7 h SER 181 CO -0.06 0.00 -0.13 -0.37 -0.87 0.00 0.00 176.83 175.40 3iu7 h VAL 182 N 0.00 0.94 0.22 0.95 -1.51 -1.60 -2.14 116.25 113.10 3iu7 h VAL 182 Ca 0.00 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 3iu7 h VAL 182 Cb 0.06 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 3iu7 h VAL 182 CO 0.00 0.13 -0.11 0.40 -1.23 0.00 0.00 177.57 176.76 3iu7 h ILE 183 N 0.00 0.81 -0.13 7.19 2.04 -1.59 -0.10 117.51 125.73 3iu7 h ILE 183 Ca -0.00 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3iu7 h ILE 183 Cb 0.26 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3iu7 h ILE 183 CO 0.02 0.04 -0.31 1.23 0.00 0.00 0.00 178.15 179.12 3iu7 h GLY 184 N -0.37 0.27 0.99 5.37 0.00 -1.47 -1.14 103.07 106.73 3iu7 h GLY 184 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3iu7 h GLY 184 CO 0.05 0.20 0.12 -0.09 0.00 0.00 0.00 176.54 176.82 3iu7 h ARG 185 N 0.22 0.25 -0.45 4.80 2.43 -1.11 -0.63 114.38 119.89 3iu7 h ARG 185 Ca 0.03 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3iu7 h ARG 185 Cb 0.66 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3iu7 h ARG 185 CO 0.05 0.18 -0.09 0.28 -1.51 0.00 0.00 179.97 178.88 3iu7 h VAL 186 N 0.24 1.27 -0.11 0.20 2.07 -0.77 -1.74 116.25 117.42 3iu7 h VAL 186 Ca 0.07 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 3iu7 h VAL 186 Cb -0.01 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3iu7 h VAL 186 CO -0.01 0.41 -0.03 0.40 0.02 0.00 0.00 177.57 178.35 3iu7 h ILE 187 N 0.69 1.30 -0.10 4.57 2.04 -1.10 -2.22 117.51 122.68 3iu7 h ILE 187 Ca 0.12 -0.99 -0.15 0.00 1.00 0.00 0.00 64.86 64.84 3iu7 h ILE 187 Cb 0.63 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 3iu7 h ILE 187 CO 0.04 0.28 -0.58 -0.08 0.00 0.00 0.00 178.15 177.82 3iu7 h GLU 188 N -0.12 0.31 -0.52 2.37 4.81 -1.14 0.11 114.58 120.40 3iu7 h GLU 188 Ca 0.03 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3iu7 h GLU 188 Cb 0.46 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3iu7 h GLU 188 CO 0.01 0.80 0.23 1.03 -0.73 0.00 0.00 179.01 180.36 3iu7 h SER 189 N 0.24 0.69 -0.15 1.04 0.87 -1.29 -0.51 113.55 114.44 3iu7 h SER 189 Ca -0.00 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 3iu7 h SER 189 Cb 1.08 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 3iu7 h SER 189 CO 0.09 0.65 -0.19 0.22 -0.53 0.00 0.00 176.83 177.07 3iu7 h TYR 190 N 0.70 0.49 -0.92 2.24 3.20 -1.07 -2.97 116.97 118.63 3iu7 h TYR 190 Ca 0.18 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3iu7 h TYR 190 Cb 0.15 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 3iu7 h TYR 190 CO -0.00 0.81 0.60 0.00 -1.64 0.00 0.00 178.16 177.93 3iu7 h ALA 191 N 0.60 1.46 0.00 1.82 0.00 -0.78 -2.18 119.26 120.17 3iu7 h ALA 191 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iu7 h ALA 191 Cb 0.74 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iu7 h ALA 191 CO 0.04 0.41 -0.02 -0.91 0.00 0.00 0.00 179.25 178.78 3iu7 h ASN 192 N 1.09 0.00 -0.14 0.00 2.35 -0.97 -1.45 115.58 116.46 3iu7 h ASN 192 Ca 0.39 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.18 3iu7 h ASN 192 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3iu7 h ASN 192 CO -0.14 0.02 0.11 0.03 -1.65 0.00 0.00 177.43 175.80 3iu7 h ARG 193 N 0.00 0.00 -0.24 0.81 3.08 -1.24 -2.18 114.38 114.61 3iu7 h ARG 193 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iu7 h ARG 193 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3iu7 h ARG 193 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3iu7 n PHE 194 N -4.40 0.31 -1.75 3.04 3.01 -0.62 -4.95 117.46 112.11 3iu7 n PHE 194 Ca 0.00 -0.25 -0.10 0.00 1.01 0.00 0.00 57.45 58.11 3iu7 n PHE 194 Cb 0.23 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 3iu7 n PHE 194 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iu7 n GLY 195 N 0.85 0.55 3.92 1.37 0.00 -0.82 -5.05 105.19 106.01 3iu7 n GLY 195 Ca 0.12 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 3iu7 n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iu7 s TYR 196 N -2.45 3.50 -0.16 1.61 2.02 -0.79 -4.94 117.35 116.14 3iu7 s TYR 196 Ca 0.00 0.64 -0.00 0.00 -0.37 0.00 0.00 57.07 57.34 3iu7 s TYR 196 Cb 0.00 -2.22 -0.00 0.00 -0.40 0.00 0.00 41.96 39.33 3iu7 s TYR 196 CO 0.00 -0.21 -0.14 -0.80 -1.57 0.00 0.00 175.55 172.83 3iu7 s ASN 197 N -4.11 3.77 -0.12 2.29 -0.87 -0.40 -4.29 114.94 111.22 3iu7 s ASN 197 Ca 0.46 -0.44 -0.24 0.00 -1.57 0.00 0.00 52.86 51.07 3iu7 s ASN 197 Cb -0.10 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.25 39.52 3iu7 s ASN 197 CO 0.42 0.09 0.73 -0.69 -2.57 0.00 0.00 177.10 175.08 3iu7 s VAL 198 N 0.79 4.99 0.30 1.60 1.01 -1.26 -0.47 120.40 127.35 3iu7 s VAL 198 Ca -0.05 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 3iu7 s VAL 198 Cb -0.15 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 3iu7 s VAL 198 CO 0.01 0.16 1.45 -0.69 0.00 0.00 0.00 175.10 176.02 3iu7 s VAL 199 N 1.39 2.46 -0.13 2.92 1.01 -0.22 -4.92 120.40 122.90 3iu7 s VAL 199 Ca 0.36 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.87 3iu7 s VAL 199 Cb -0.17 -3.26 -0.16 0.00 0.00 0.00 0.00 36.38 32.78 3iu7 s VAL 199 CO 0.15 0.08 0.04 0.54 0.00 0.00 0.00 175.10 175.91 3iu7 n ARG 200 N 1.65 1.73 0.00 2.72 1.74 -1.26 -4.60 116.66 118.64 3iu7 n ARG 200 Ca 0.05 -0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.26 3iu7 n ARG 200 Cb 0.40 -1.35 0.60 0.00 -1.02 0.00 0.00 32.46 31.09 3iu7 n ARG 200 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3iu7 n ASP 201 N -2.52 0.24 -4.35 0.55 8.00 -1.26 -4.63 116.55 112.58 3iu7 n ASP 201 Ca -0.22 -0.15 -0.30 0.00 0.71 0.00 0.00 54.79 54.82 3iu7 n ASP 201 Cb 0.93 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.70 3iu7 n ASP 201 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3iu7 s PHE 202 N -2.70 2.34 0.20 1.24 0.40 -1.26 -5.14 117.98 113.06 3iu7 s PHE 202 Ca 0.23 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.14 3iu7 s PHE 202 Cb 0.19 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 3iu7 s PHE 202 CO 0.52 0.12 0.12 0.95 0.70 0.00 0.00 175.22 177.63 3iu7 s THR 203 N -0.79 0.05 1.01 0.64 -4.23 -1.26 -4.79 115.64 106.26 3iu7 s THR 203 Ca 0.12 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.47 3iu7 s THR 203 Cb -0.10 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.48 3iu7 s THR 203 CO 0.02 -0.03 1.30 -0.83 -0.54 0.00 0.00 174.62 174.54 3iu7 s GLY 204 N -3.16 1.77 0.04 3.99 0.00 0.06 -4.88 107.32 105.13 3iu7 s GLY 204 Ca 0.38 -1.21 -0.28 0.00 0.00 0.00 0.00 44.72 43.62 3iu7 s GLY 204 CO 0.11 -0.40 0.65 -2.38 0.00 0.00 0.00 173.10 171.09 3iu7 s HIS 205 N -3.79 -0.60 0.64 1.90 -3.43 -1.24 -1.17 115.29 107.59 3iu7 s HIS 205 Ca 0.74 0.77 -0.18 0.00 -0.80 0.00 0.00 55.06 55.60 3iu7 s HIS 205 Cb -0.04 0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 31.57 3iu7 s HIS 205 CO 0.54 -0.71 1.23 0.20 -2.00 0.00 0.00 174.74 174.00 3iu7 s GLY 206 N -1.87 2.69 -0.01 -1.38 0.00 -0.08 -0.62 107.32 106.06 3iu7 s GLY 206 Ca -0.06 1.03 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 3iu7 s GLY 206 CO -0.00 1.44 0.22 -1.50 0.00 0.00 0.00 173.10 173.25 3iu7 s ILE 207 N -1.63 0.07 0.00 0.90 2.07 -1.03 -1.51 121.20 120.07 3iu7 s ILE 207 Ca 0.78 -0.58 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 3iu7 s ILE 207 Cb -0.32 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 41.75 3iu7 s ILE 207 CO 0.37 -0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 3iu7 n GLY 208 N 1.38 0.24 0.13 1.50 0.00 -1.26 -4.60 105.19 102.58 3iu7 n GLY 208 Ca -0.22 0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.42 3iu7 n GLY 208 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iu7 n THR 209 N 0.00 0.85 -4.44 2.61 -2.24 -1.26 -1.23 114.28 108.57 3iu7 n THR 209 Ca 0.00 0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.81 3iu7 n THR 209 Cb 0.00 -1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 66.94 3iu7 n THR 209 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iu7 s THR 210 N -3.32 2.31 -0.05 4.28 -4.23 -1.26 -4.70 115.64 108.66 3iu7 s THR 210 Ca 0.04 -2.32 -0.18 0.00 -1.18 0.00 0.00 61.69 58.05 3iu7 s THR 210 Cb 0.09 -2.22 -0.12 0.00 1.34 0.00 0.00 72.50 71.59 3iu7 s THR 210 CO 0.38 -0.40 0.72 0.15 -0.54 0.00 0.00 174.62 174.93 3iu7 h PHE 211 N 2.46 -0.27 -3.55 3.99 3.04 -1.88 -3.41 116.94 117.32 3iu7 h PHE 211 Ca -0.40 -0.01 -0.65 0.00 3.98 0.00 0.00 57.97 60.89 3iu7 h PHE 211 Cb 1.25 0.09 -0.40 0.00 2.56 0.00 0.00 35.95 39.44 3iu7 h PHE 211 CO 0.78 0.07 -0.68 -1.01 -2.02 0.00 0.00 178.31 175.45 3iu7 s HIS 212 N -3.19 3.50 -2.23 0.41 3.76 -1.26 -4.39 115.29 111.89 3iu7 s HIS 212 Ca -0.10 -3.07 0.30 0.00 -0.15 0.00 0.00 55.06 52.03 3iu7 s HIS 212 Cb 0.00 -2.87 1.39 0.00 1.11 0.00 0.00 32.58 32.22 3iu7 s HIS 212 CO 0.37 -0.86 1.94 0.27 -0.85 0.00 0.00 174.74 175.61 3iu7 n ASN 213 N 3.75 0.83 0.00 1.40 0.23 -0.57 -3.02 115.26 117.88 3iu7 n ASN 213 Ca 0.04 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 3iu7 n ASN 213 Cb 0.38 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 3iu7 n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iu7 n GLY 214 N 1.12 2.38 3.74 4.83 0.00 -1.26 -2.78 105.19 113.21 3iu7 n GLY 214 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3iu7 n GLY 214 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu7 s LEU 215 N 0.00 4.39 -0.08 0.99 2.96 -1.26 -4.93 118.68 120.75 3iu7 s LEU 215 Ca 0.00 2.57 0.03 0.00 -0.22 0.00 0.00 54.13 56.51 3iu7 s LEU 215 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3iu7 s LEU 215 CO 0.00 -0.69 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.48 3iu7 s VAL 216 N 0.35 2.75 -0.32 1.68 1.01 -1.26 -0.90 120.40 123.71 3iu7 s VAL 216 Ca 0.61 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3iu7 s VAL 216 Cb -0.41 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 33.95 3iu7 s VAL 216 CO 0.39 0.56 0.02 -0.69 0.00 0.00 0.00 175.10 175.38 3iu7 s VAL 217 N -0.17 2.89 0.31 2.92 1.01 -0.31 -4.89 120.40 122.14 3iu7 s VAL 217 Ca -0.01 -1.59 -0.24 0.00 0.00 0.00 0.00 61.98 60.14 3iu7 s VAL 217 Cb -0.13 -2.75 -0.10 0.00 0.00 0.00 0.00 36.38 33.40 3iu7 s VAL 217 CO 0.03 -0.23 0.88 -0.76 0.00 0.00 0.00 175.10 175.03 3iu7 s LEU 218 N 1.19 4.30 0.00 3.92 1.43 -1.26 -0.76 118.68 127.49 3iu7 s LEU 218 Ca -0.02 1.70 0.22 0.00 -1.03 0.00 0.00 54.13 55.00 3iu7 s LEU 218 Cb -0.20 -3.95 0.31 0.00 0.03 0.00 0.00 46.19 42.37 3iu7 s LEU 218 CO -0.03 -0.07 1.30 1.41 0.23 0.00 0.00 176.35 179.19 3iu7 n HIS 219 N 0.47 0.27 -3.86 0.29 8.25 -1.26 -3.13 115.22 116.25 3iu7 n HIS 219 Ca 0.01 -0.15 -0.22 0.00 -0.26 0.00 0.00 57.72 57.11 3iu7 n HIS 219 Cb 0.51 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 3iu7 n HIS 219 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3iu7 s TYR 220 N -1.62 2.73 -0.30 4.41 -0.85 -1.26 -3.81 117.35 116.65 3iu7 s TYR 220 Ca 0.32 -0.44 -0.29 0.00 -0.52 0.00 0.00 57.07 56.14 3iu7 s TYR 220 Cb 0.20 -1.92 0.01 0.00 0.38 0.00 0.00 41.96 40.63 3iu7 s TYR 220 CO 0.29 0.12 1.18 0.34 -1.52 0.00 0.00 175.55 175.96 3iu7 s ASP 221 N -3.99 6.83 -0.39 -0.18 3.68 -1.22 -4.13 116.67 117.28 3iu7 s ASP 221 Ca 0.43 1.17 0.04 0.00 2.13 0.00 0.00 52.55 56.32 3iu7 s ASP 221 Cb -0.02 -2.54 0.16 0.00 -1.45 0.00 0.00 42.92 39.07 3iu7 s ASP 221 CO 0.25 -0.95 0.44 -1.58 0.13 0.00 0.00 175.17 173.46 3iu7 s GLN 222 N 3.85 0.71 0.00 4.34 2.00 -1.26 -4.98 119.66 124.31 3iu7 s GLN 222 Ca 0.51 -0.79 0.27 0.00 -2.00 0.00 0.00 55.36 53.35 3iu7 s GLN 222 Cb -0.15 -0.55 1.51 0.00 0.80 0.00 0.00 33.01 34.61 3iu7 s GLN 222 CO 0.18 -1.21 1.96 -0.35 -0.50 0.00 0.00 175.29 175.38 3iu7 n PRO 223 N 4.18 0.61 0.15 1.67 -0.04 -1.26 -2.87 135.00 137.44 3iu7 n PRO 223 Ca 0.12 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 3iu7 n PRO 223 Cb 0.48 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.90 3iu7 n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iu7 h ALA 224 N 3.49 1.00 -2.68 0.55 0.00 -2.00 -3.44 119.26 116.19 3iu7 h ALA 224 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3iu7 h ALA 224 Cb 0.14 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.98 3iu7 h ALA 224 CO 0.00 0.00 0.83 0.08 0.00 0.00 0.00 179.25 180.16 3iu7 s VAL 225 N -3.28 2.59 -1.91 0.00 1.01 -1.14 -4.90 120.40 112.78 3iu7 s VAL 225 Ca 0.06 0.46 0.23 0.00 0.00 0.00 0.00 61.98 62.73 3iu7 s VAL 225 Cb 0.10 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.23 3iu7 s VAL 225 CO 0.51 0.05 1.20 -1.84 0.00 0.00 0.00 175.10 175.03 3iu7 n GLU 226 N 3.15 1.05 -1.70 2.72 0.00 -1.26 -4.68 120.64 119.91 3iu7 n GLU 226 Ca 0.10 -0.82 -0.43 0.00 0.00 0.00 0.00 57.16 56.01 3iu7 n GLU 226 Cb 0.39 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.32 3iu7 n GLU 226 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3iu7 n THR 227 N -0.26 0.32 -4.34 3.84 -1.04 -1.26 -4.89 114.28 106.64 3iu7 n THR 227 Ca 0.10 -0.08 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 3iu7 n THR 227 Cb 0.43 -1.79 -0.09 0.00 -1.82 0.00 0.00 70.33 67.06 3iu7 n THR 227 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3iu7 s ILE 228 N 0.71 4.20 0.14 12.58 -1.09 -1.26 -0.87 121.20 135.61 3iu7 s ILE 228 Ca 0.73 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 58.40 3iu7 s ILE 228 Cb -0.57 -2.82 -0.07 0.00 -1.58 0.00 0.00 42.46 37.41 3iu7 s ILE 228 CO 0.39 0.48 1.20 -0.04 -1.23 0.00 0.00 174.94 175.75 3iu7 s MET 229 N -1.24 4.47 0.05 2.79 -1.94 0.39 -4.83 119.30 118.99 3iu7 s MET 229 Ca 0.17 1.84 0.03 0.00 -1.71 0.00 0.00 55.69 56.02 3iu7 s MET 229 Cb -0.11 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 3iu7 s MET 229 CO 0.07 -0.16 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.18 3iu7 s GLN 230 N 0.27 0.59 0.23 2.03 -0.21 -1.26 -0.34 119.66 120.97 3iu7 s GLN 230 Ca 0.55 -0.80 -0.32 0.00 0.02 0.00 0.00 55.36 54.81 3iu7 s GLN 230 Cb -0.32 -0.40 -0.13 0.00 1.00 0.00 0.00 33.01 33.16 3iu7 s GLN 230 CO 0.34 0.08 1.53 -2.30 -2.12 0.00 0.00 175.29 172.81 3iu7 n PRO 231 N 1.41 2.31 0.00 2.91 -0.02 -1.26 -1.80 135.00 138.55 3iu7 n PRO 231 Ca -0.22 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3iu7 n PRO 231 Cb 0.55 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3iu7 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu7 n GLY 232 N 2.60 1.10 3.76 -1.23 0.00 0.22 -4.86 105.19 106.79 3iu7 n GLY 232 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3iu7 n GLY 232 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iu7 s MET 233 N -0.74 4.48 -0.08 1.61 -1.94 -0.75 -0.46 119.30 121.43 3iu7 s MET 233 Ca 0.00 2.03 0.02 0.00 -1.71 0.00 0.00 55.69 56.04 3iu7 s MET 233 Cb 0.00 -3.12 0.01 0.00 2.01 0.00 0.00 34.83 33.73 3iu7 s MET 233 CO 0.00 -0.01 -0.14 0.95 -0.01 0.00 0.00 175.02 175.81 3iu7 s THR 234 N -1.15 1.31 0.27 2.05 -4.23 -1.21 -0.88 115.64 111.79 3iu7 s THR 234 Ca 0.47 -0.57 -0.20 0.00 -1.18 0.00 0.00 61.69 60.21 3iu7 s THR 234 Cb -0.36 -1.18 0.02 0.00 1.34 0.00 0.00 72.50 72.31 3iu7 s THR 234 CO 0.48 0.39 0.69 0.72 -0.54 0.00 0.00 174.62 176.36 3iu7 s PHE 235 N 0.68 -0.15 0.09 3.99 -0.71 -0.72 -2.46 117.98 118.70 3iu7 s PHE 235 Ca -0.14 -0.29 -0.00 0.00 -1.04 0.00 0.00 56.93 55.46 3iu7 s PHE 235 Cb -0.16 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 3iu7 s PHE 235 CO 0.04 -1.19 0.25 0.95 -1.34 0.00 0.00 175.22 173.92 3iu7 s THR 236 N -3.92 5.34 -0.14 -4.49 -4.23 0.21 -0.31 115.64 108.10 3iu7 s THR 236 Ca 0.12 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 3iu7 s THR 236 Cb -0.05 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.14 3iu7 s THR 236 CO 0.06 0.07 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.37 3iu7 s ILE 237 N -1.58 2.10 -0.43 2.99 1.01 -0.94 -3.71 121.20 120.63 3iu7 s ILE 237 Ca 0.36 -0.97 0.08 0.00 0.00 0.00 0.00 60.65 60.12 3iu7 s ILE 237 Cb -0.12 -1.83 0.35 0.00 0.01 0.00 0.00 42.46 40.86 3iu7 s ILE 237 CO 0.28 0.55 1.13 -1.84 0.00 0.00 0.00 174.94 175.06 3iu7 n GLU 238 N 4.02 1.07 -2.30 2.79 0.28 -1.26 -2.34 120.64 122.89 3iu7 n GLU 238 Ca -0.20 -2.14 -0.40 0.00 -0.16 0.00 0.00 57.16 54.26 3iu7 n GLU 238 Cb 0.52 -0.85 -0.03 0.00 1.43 0.00 0.00 31.44 32.50 3iu7 n GLU 238 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3iu7 s PRO 239 N -0.24 4.49 -0.22 3.44 0.04 -1.23 -4.75 135.00 136.54 3iu7 s PRO 239 Ca 0.24 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 3iu7 s PRO 239 Cb 0.34 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 3iu7 s PRO 239 CO -0.06 0.01 0.07 -1.64 0.04 0.00 0.00 177.00 175.42 3iu7 s MET 240 N -1.63 3.81 -0.15 4.56 -1.94 -1.26 -3.44 119.30 119.25 3iu7 s MET 240 Ca 0.47 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 54.04 3iu7 s MET 240 Cb -0.36 -3.28 0.02 0.00 2.01 0.00 0.00 34.83 33.23 3iu7 s MET 240 CO 0.47 0.03 -0.17 0.42 -0.01 0.00 0.00 175.02 175.75 3iu7 s ILE 241 N 1.04 1.76 -0.09 2.53 1.01 0.16 -1.06 121.20 126.56 3iu7 s ILE 241 Ca 0.04 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 3iu7 s ILE 241 Cb -0.14 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 3iu7 s ILE 241 CO 0.03 0.49 0.24 0.20 0.00 0.00 0.00 174.94 175.90 3iu7 s ASN 242 N 1.21 6.52 0.23 3.58 -0.87 0.38 -1.52 114.94 124.46 3iu7 s ASN 242 Ca 0.00 0.62 -0.02 0.00 -1.57 0.00 0.00 52.86 51.89 3iu7 s ASN 242 Cb -0.14 -2.14 0.24 0.00 -0.02 0.00 0.00 41.25 39.19 3iu7 s ASN 242 CO -0.08 0.33 1.63 -0.07 -2.57 0.00 0.00 177.10 176.34 3iu7 h LEU 243 N 5.21 0.65 0.00 0.60 3.38 -1.72 -1.06 115.31 122.38 3iu7 h LEU 243 Ca -0.51 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3iu7 h LEU 243 Cb 1.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3iu7 h LEU 243 CO 0.62 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.68 3iu7 n GLY 244 N -0.17 2.98 3.82 0.83 0.00 -1.26 -4.76 105.19 106.63 3iu7 n GLY 244 Ca -0.01 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 3iu7 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu7 s ALA 245 N -2.48 2.34 -0.51 4.61 0.00 -1.26 -4.43 121.76 120.03 3iu7 s ALA 245 Ca 0.00 -0.23 0.25 0.00 0.00 0.00 0.00 51.96 51.99 3iu7 s ALA 245 Cb 0.00 -3.10 0.66 0.00 0.00 0.00 0.00 23.12 20.69 3iu7 s ALA 245 CO 0.00 -1.64 1.72 -0.07 0.00 0.00 0.00 175.76 175.76 3iu7 h LEU 246 N -1.03 0.00 -9.79 0.00 3.38 -1.97 -3.46 115.31 102.45 3iu7 h LEU 246 Ca -0.47 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 3iu7 h LEU 246 Cb 1.27 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.13 3iu7 h LEU 246 CO 0.60 0.00 0.49 0.47 0.09 0.00 0.00 178.44 180.09 3iu7 n ASP 247 N -2.71 2.63 -3.93 -0.43 9.92 -1.26 -4.89 116.55 115.88 3iu7 n ASP 247 Ca 0.04 1.15 -0.09 0.00 -0.53 0.00 0.00 54.79 55.37 3iu7 n ASP 247 Cb 0.45 -1.49 -0.08 0.00 -0.64 0.00 0.00 41.12 39.36 3iu7 n ASP 247 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3iu7 s TYR 248 N -1.15 0.30 0.20 1.24 -0.85 -1.26 -1.04 117.35 114.77 3iu7 s TYR 248 Ca 0.58 -0.73 0.05 0.00 -0.52 0.00 0.00 57.07 56.45 3iu7 s TYR 248 Cb -0.53 -0.14 -0.05 0.00 0.38 0.00 0.00 41.96 41.62 3iu7 s TYR 248 CO 0.60 -0.54 -0.06 -1.21 -1.52 0.00 0.00 175.55 172.81 3iu7 s GLU 249 N -3.90 1.23 -0.11 -3.49 2.02 -0.21 -4.80 118.70 109.44 3iu7 s GLU 249 Ca 0.08 -1.58 0.03 0.00 0.02 0.00 0.00 54.97 53.52 3iu7 s GLU 249 Cb 0.05 -0.71 -0.01 0.00 0.10 0.00 0.00 34.13 33.57 3iu7 s GLU 249 CO -0.08 0.02 -0.20 0.42 0.02 0.00 0.00 175.26 175.43 3iu7 s ILE 250 N -3.30 2.41 1.16 -1.63 1.01 -1.26 -0.90 121.20 118.69 3iu7 s ILE 250 Ca 0.23 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 3iu7 s ILE 250 Cb 0.04 -1.96 0.28 0.00 0.01 0.00 0.00 42.46 40.83 3iu7 s ILE 250 CO 0.05 0.55 1.03 0.26 0.00 0.00 0.00 174.94 176.83 3iu7 s TRP 251 N 0.31 1.46 0.50 3.97 0.51 -0.40 -4.86 118.94 120.42 3iu7 s TRP 251 Ca -0.15 1.10 0.38 0.00 -2.12 0.00 0.00 56.10 55.31 3iu7 s TRP 251 Cb -0.17 -3.12 1.97 0.00 -0.81 0.00 0.00 33.47 31.34 3iu7 s TRP 251 CO 0.08 -3.79 2.23 -0.44 -0.51 0.00 0.00 176.95 174.51 3iu7 h ASP 252 N -2.56 0.00 0.36 2.95 3.32 -2.00 0.91 116.42 119.40 3iu7 h ASP 252 Ca -0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.44 3iu7 h ASP 252 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 3iu7 h ASP 252 CO 0.52 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 3iu7 n ASP 253 N -3.28 0.38 0.00 6.45 5.68 -1.26 -4.85 116.55 119.67 3iu7 n ASP 253 Ca -0.02 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 54.90 3iu7 n ASP 253 Cb 0.15 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 3iu7 n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iu7 n GLY 254 N -0.60 1.15 0.27 6.12 0.00 0.31 -4.84 105.19 107.60 3iu7 n GLY 254 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 3iu7 n GLY 254 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iu7 n TRP 255 N -2.00 0.00 -2.35 1.61 7.02 -1.26 -4.97 117.44 115.49 3iu7 n TRP 255 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 3iu7 n TRP 255 Cb 0.00 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 3iu7 n TRP 255 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3iu7 s THR 256 N -2.02 4.04 -0.23 -0.99 2.01 -1.26 -4.69 115.64 112.51 3iu7 s THR 256 Ca -0.01 1.37 -0.06 0.00 0.31 0.00 0.00 61.69 63.30 3iu7 s THR 256 Cb 0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 3iu7 s THR 256 CO 0.02 -0.03 0.04 -0.69 -0.69 0.00 0.00 174.62 173.27 3iu7 s VAL 257 N 2.56 4.09 0.10 3.82 1.01 -0.83 -1.28 120.40 129.87 3iu7 s VAL 257 Ca 0.59 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.41 3iu7 s VAL 257 Cb -0.27 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3iu7 s VAL 257 CO 0.23 0.38 -0.24 0.68 0.00 0.00 0.00 175.10 176.14 3iu7 s VAL 258 N 1.40 1.98 0.33 2.92 -7.23 -0.08 0.31 120.40 120.04 3iu7 s VAL 258 Ca 0.05 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.37 3iu7 s VAL 258 Cb -0.15 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.94 3iu7 s VAL 258 CO 0.02 0.09 1.32 0.42 -0.31 0.00 0.00 175.10 176.64 3iu7 s THR 259 N -1.02 2.68 0.29 5.32 -4.23 -0.55 -1.04 115.64 117.08 3iu7 s THR 259 Ca 0.10 0.68 0.11 0.00 -1.18 0.00 0.00 61.69 61.40 3iu7 s THR 259 Cb -0.10 -3.43 -0.00 0.00 1.34 0.00 0.00 72.50 70.31 3iu7 s THR 259 CO 0.04 0.16 1.65 0.11 -0.54 0.00 0.00 174.62 176.05 3iu7 h LYS 260 N 3.43 0.02 -0.01 3.99 1.57 -1.40 -2.22 116.57 121.94 3iu7 h LYS 260 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3iu7 h LYS 260 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3iu7 h LYS 260 CO 0.66 0.58 -0.06 -0.40 -0.57 0.00 0.00 179.45 179.65 3iu7 n ASP 261 N -3.87 0.83 -0.62 0.86 5.68 -1.26 -4.93 116.55 113.24 3iu7 n ASP 261 Ca -0.01 -1.05 -0.08 0.00 -0.50 0.00 0.00 54.79 53.15 3iu7 n ASP 261 Cb 0.57 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.51 3iu7 n ASP 261 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iu7 n ARG 262 N -0.50 -1.54 -2.45 0.11 5.12 -0.84 -5.00 116.66 111.55 3iu7 n ARG 262 Ca 0.18 0.75 -0.33 0.00 -1.93 0.00 0.00 57.85 56.51 3iu7 n ARG 262 Cb 0.28 -5.05 -0.03 0.00 -1.16 0.00 0.00 32.46 26.50 3iu7 n ARG 262 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iu7 s LYS 263 N -2.54 3.77 0.67 5.56 1.02 -1.26 -4.65 119.74 122.32 3iu7 s LYS 263 Ca 0.00 1.24 -0.10 0.00 0.02 0.00 0.00 55.97 57.12 3iu7 s LYS 263 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3iu7 s LYS 263 CO 0.00 -0.44 1.05 -1.58 -0.92 0.00 0.00 175.35 173.47 3iu7 s TRP 264 N -2.20 3.36 0.00 3.18 0.52 -1.26 -4.42 118.94 118.12 3iu7 s TRP 264 Ca 0.65 1.02 -0.13 0.00 0.02 0.00 0.00 56.10 57.66 3iu7 s TRP 264 Cb -0.14 -2.96 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 3iu7 s TRP 264 CO 0.24 -1.05 0.26 -0.08 0.02 0.00 0.00 176.95 176.34 3iu7 s THR 265 N -3.27 0.07 0.06 2.01 -1.32 -0.76 -2.08 115.64 110.35 3iu7 s THR 265 Ca 0.57 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 3iu7 s THR 265 Cb -0.11 -0.63 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 3iu7 s THR 265 CO 0.51 -0.32 -0.05 0.00 -2.21 0.00 0.00 174.62 172.55 3iu7 s ALA 266 N -1.56 0.61 -0.06 11.08 0.00 -0.58 -4.61 121.76 126.65 3iu7 s ALA 266 Ca -0.12 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 3iu7 s ALA 266 Cb -0.05 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.28 3iu7 s ALA 266 CO 0.02 -0.25 0.28 -1.14 0.00 0.00 0.00 175.76 174.68 3iu7 s GLN 267 N -3.21 0.50 0.12 0.00 0.74 -1.26 -0.66 119.66 115.88 3iu7 s GLN 267 Ca 0.03 0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.54 3iu7 s GLN 267 Cb 0.02 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 3iu7 s GLN 267 CO -0.06 -0.11 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.42 3iu7 s PHE 268 N -0.65 1.11 -0.19 1.67 0.40 -1.22 -2.86 117.98 116.25 3iu7 s PHE 268 Ca -0.07 -0.77 -0.15 0.00 -0.60 0.00 0.00 56.93 55.34 3iu7 s PHE 268 Cb -0.04 -0.59 0.05 0.00 0.51 0.00 0.00 43.02 42.95 3iu7 s PHE 268 CO 0.02 0.00 0.48 -2.00 0.70 0.00 0.00 175.22 174.43 3iu7 s GLU 269 N -3.50 0.54 0.16 0.44 2.12 -0.06 -3.56 118.70 114.84 3iu7 s GLU 269 Ca 0.12 0.74 0.06 0.00 0.36 0.00 0.00 54.97 56.26 3iu7 s GLU 269 Cb 0.02 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 3iu7 s GLU 269 CO -0.01 -0.09 -0.13 -1.01 -0.54 0.00 0.00 175.26 173.47 3iu7 s HIS 270 N 0.63 1.49 -0.14 5.30 3.76 -0.99 -1.77 115.29 123.57 3iu7 s HIS 270 Ca -0.03 -0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 54.11 3iu7 s HIS 270 Cb -0.05 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 3iu7 s HIS 270 CO -0.04 0.21 0.39 0.99 -0.85 0.00 0.00 174.74 175.44 3iu7 s THR 271 N -2.70 5.24 0.12 1.30 2.01 -1.12 -2.22 115.64 118.27 3iu7 s THR 271 Ca 0.16 0.77 0.10 0.00 0.31 0.00 0.00 61.69 63.03 3iu7 s THR 271 Cb -0.02 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3iu7 s THR 271 CO 0.04 0.36 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.33 3iu7 s LEU 272 N 0.53 2.45 -0.12 4.42 2.01 0.57 -0.62 118.68 127.92 3iu7 s LEU 272 Ca 0.22 -0.67 0.00 0.00 0.01 0.00 0.00 54.13 53.69 3iu7 s LEU 272 Cb -0.14 -1.34 -0.01 0.00 0.01 0.00 0.00 46.19 44.71 3iu7 s LEU 272 CO 0.07 0.19 -0.14 -0.22 1.01 0.00 0.00 176.35 177.26 3iu7 s LEU 273 N -2.03 2.69 -0.08 1.79 2.96 -0.07 -1.76 118.68 122.19 3iu7 s LEU 273 Ca 0.15 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 3iu7 s LEU 273 Cb -0.10 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3iu7 s LEU 273 CO 0.07 0.17 1.10 -0.69 -1.32 0.00 0.00 176.35 175.69 3iu7 s VAL 274 N 0.30 4.51 0.44 1.68 1.01 -0.06 -0.86 120.40 127.43 3iu7 s VAL 274 Ca -0.10 1.81 0.06 0.00 0.00 0.00 0.00 61.98 63.75 3iu7 s VAL 274 Cb -0.16 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.12 3iu7 s VAL 274 CO 0.06 0.01 0.54 0.35 0.00 0.00 0.00 175.10 176.05 3iu7 n THR 275 N 4.56 0.00 0.27 3.92 -2.24 0.06 -0.61 114.28 120.24 3iu7 n THR 275 Ca 0.10 -1.55 0.15 0.00 -2.27 0.00 0.00 64.05 60.47 3iu7 n THR 275 Cb 0.47 -0.49 0.72 0.00 -2.10 0.00 0.00 70.33 68.94 3iu7 n THR 275 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3iu7 h ASP 276 N 0.20 0.00 0.00 3.42 3.45 -1.96 -3.33 116.42 118.19 3iu7 h ASP 276 Ca -0.23 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.19 3iu7 h ASP 276 Cb 0.97 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.73 3iu7 h ASP 276 CO 0.33 0.09 -1.44 0.35 -1.57 0.00 0.00 179.24 177.00 3iu7 n THR 277 N -3.36 0.18 0.00 0.35 -2.24 -1.26 -4.78 114.28 103.18 3iu7 n THR 277 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3iu7 n THR 277 Cb 0.28 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3iu7 n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iu7 n GLY 278 N 2.18 -0.33 3.06 3.38 0.00 -1.25 -4.74 105.19 107.48 3iu7 n GLY 278 Ca -0.05 0.45 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 3iu7 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu7 s VAL 279 N 0.00 0.44 -0.11 1.61 0.11 -1.23 -0.76 120.40 120.46 3iu7 s VAL 279 Ca 0.00 -1.18 0.02 0.00 -2.93 0.00 0.00 61.98 57.88 3iu7 s VAL 279 Cb 0.00 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3iu7 s VAL 279 CO 0.00 -0.50 -0.15 -0.70 -3.33 0.00 0.00 175.10 170.42 3iu7 s GLU 280 N -1.95 2.24 -0.25 1.54 2.12 -0.04 -4.86 118.70 117.51 3iu7 s GLU 280 Ca -0.08 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 3iu7 s GLU 280 Cb -0.07 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.40 3iu7 s GLU 280 CO -0.01 -0.09 1.14 0.42 -0.54 0.00 0.00 175.26 176.18 3iu7 s ILE 281 N 1.05 4.47 -0.29 -3.70 1.01 -1.26 -0.90 121.20 121.58 3iu7 s ILE 281 Ca -0.05 1.75 0.20 0.00 0.00 0.00 0.00 60.65 62.55 3iu7 s ILE 281 Cb -0.15 -4.24 0.15 0.00 0.01 0.00 0.00 42.46 38.23 3iu7 s ILE 281 CO -0.03 -0.28 1.37 -0.07 0.00 0.00 0.00 174.94 175.93 3iu7 h LEU 282 N 9.85 0.00 -5.42 2.97 3.38 -1.22 -3.37 115.31 121.51 3iu7 h LEU 282 Ca -0.22 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 56.97 3iu7 h LEU 282 Cb 1.07 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.56 3iu7 h LEU 282 CO 1.00 0.18 1.06 0.35 0.09 0.00 0.00 178.44 181.12 3iu7 n THR 283 N -3.02 4.47 -4.30 0.22 -2.24 -1.24 -3.14 114.28 105.03 3iu7 n THR 283 Ca 0.01 -4.85 -0.27 0.00 -2.27 0.00 0.00 64.05 56.67 3iu7 n THR 283 Cb 0.62 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.39 3iu7 n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50