#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu4 s GLN 3 N 0.00 0.40 0.01 5.55 -0.21 -0.76 -5.00 119.66 119.64 3iu4 s GLN 3 Ca 0.00 0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.46 3iu4 s GLN 3 Cb 0.00 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.18 3iu4 s GLN 3 CO 0.00 -0.08 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.54 3iu4 s LEU 4 N -0.49 2.08 -0.07 2.90 1.02 -1.26 -1.52 118.68 121.34 3iu4 s LEU 4 Ca -0.06 -0.19 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 3iu4 s LEU 4 Cb -0.04 -0.13 0.04 0.00 0.02 0.00 0.00 46.19 46.09 3iu4 s LEU 4 CO 0.01 -0.04 0.15 -0.75 0.02 0.00 0.00 176.35 175.74 3iu4 s LYS 5 N -0.50 0.05 0.16 1.70 2.20 0.06 -4.11 119.74 119.30 3iu4 s LYS 5 Ca -0.03 0.46 -0.15 0.00 -0.36 0.00 0.00 55.97 55.90 3iu4 s LYS 5 Cb -0.04 -0.24 -0.07 0.00 -1.51 0.00 0.00 37.83 35.97 3iu4 s LYS 5 CO -0.00 -0.24 0.57 -1.21 -0.36 0.00 0.00 175.35 174.11 3iu4 s GLU 6 N 1.76 4.01 -0.14 4.03 8.01 -1.26 -0.58 118.70 134.52 3iu4 s GLU 6 Ca -0.03 0.53 -0.00 0.00 0.01 0.00 0.00 54.97 55.48 3iu4 s GLU 6 Cb -0.12 -2.92 0.03 0.00 -4.31 0.00 0.00 34.13 26.81 3iu4 s GLU 6 CO -0.06 0.46 -0.10 -1.12 0.01 0.00 0.00 175.26 174.46 3iu4 s SER 7 N -1.73 2.62 0.28 -0.19 0.01 0.62 -4.81 113.70 110.50 3iu4 s SER 7 Ca 0.39 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 57.18 3iu4 s SER 7 Cb -0.15 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 3iu4 s SER 7 CO 0.19 -0.11 0.20 -0.83 0.41 0.00 0.00 173.24 173.11 3iu4 s GLY 8 N 1.58 1.97 0.29 3.44 0.00 -1.26 -1.39 107.32 111.96 3iu4 s GLY 8 Ca 0.04 -1.88 0.24 0.00 0.00 0.00 0.00 44.72 43.12 3iu4 s GLY 8 CO -0.09 -1.47 1.45 -0.56 0.00 0.00 0.00 173.10 172.43 3iu4 h PRO 9 N 2.32 0.00 0.00 2.90 0.13 -1.89 -3.48 132.00 131.97 3iu4 h PRO 9 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3iu4 h PRO 9 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3iu4 h PRO 9 CO 0.45 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 3iu4 n GLY 10 N 1.19 2.25 3.78 1.56 0.00 -1.26 -4.86 105.19 107.85 3iu4 n GLY 10 Ca 0.03 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3iu4 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu4 s LEU 11 N 0.00 3.95 -0.04 0.99 2.96 -1.26 -0.64 118.68 124.64 3iu4 s LEU 11 Ca 0.00 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 3iu4 s LEU 11 Cb 0.00 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3iu4 s LEU 11 CO 0.00 0.37 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.56 3iu4 s VAL 12 N -0.99 1.28 0.50 1.68 1.01 -0.51 -4.91 120.40 118.47 3iu4 s VAL 12 Ca 0.15 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 3iu4 s VAL 12 Cb -0.12 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 3iu4 s VAL 12 CO 0.05 0.38 1.04 0.00 0.00 0.00 0.00 175.10 176.56 3iu4 s ALA 13 N 0.10 2.86 0.40 5.51 0.00 -1.25 -1.06 121.76 128.32 3iu4 s ALA 13 Ca -0.04 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.21 3iu4 s ALA 13 Cb -0.11 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3iu4 s ALA 13 CO 0.02 -0.39 1.42 -2.14 0.00 0.00 0.00 175.76 174.67 3iu4 s PRO 14 N -3.40 3.96 0.00 0.00 0.02 -1.26 -1.48 135.00 132.84 3iu4 s PRO 14 Ca 0.66 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.11 3iu4 s PRO 14 Cb -0.16 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.52 3iu4 s PRO 14 CO 0.23 -0.60 0.00 -1.13 -0.33 0.00 0.00 177.00 175.17 3iu4 n SER 15 N 0.21 0.00 -4.28 2.53 3.41 0.84 -4.91 113.62 111.41 3iu4 n SER 15 Ca 0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.42 3iu4 n SER 15 Cb 0.41 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.47 3iu4 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iu4 n GLN 16 N -2.00 -0.14 -3.73 4.33 6.02 -0.55 -3.70 117.38 117.61 3iu4 n GLN 16 Ca 0.00 -2.44 -0.20 0.00 -0.01 0.00 0.00 57.00 54.35 3iu4 n GLN 16 Cb 0.00 -0.66 -0.01 0.00 1.02 0.00 0.00 30.24 30.59 3iu4 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3iu4 s SER 17 N -4.77 6.07 -0.08 1.08 0.01 -1.26 -1.34 113.70 113.41 3iu4 s SER 17 Ca 0.61 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.83 3iu4 s SER 17 Cb -0.03 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 3iu4 s SER 17 CO 0.41 -0.26 -0.24 -0.22 0.41 0.00 0.00 173.24 173.34 3iu4 s LEU 18 N -4.07 2.11 -0.10 2.44 2.96 0.43 -4.90 118.68 117.55 3iu4 s LEU 18 Ca 0.40 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3iu4 s LEU 18 Cb -0.09 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.21 3iu4 s LEU 18 CO 0.30 0.21 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.82 3iu4 s SER 19 N 0.02 2.49 -0.04 3.68 0.15 -1.26 -1.03 113.70 117.72 3iu4 s SER 19 Ca -0.09 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.15 3iu4 s SER 19 Cb -0.15 -1.14 -0.00 0.00 -1.71 0.00 0.00 66.02 63.02 3iu4 s SER 19 CO 0.06 0.07 -0.15 -0.63 1.20 0.00 0.00 173.24 173.79 3iu4 s ILE 20 N 0.68 1.24 -0.16 6.45 1.01 -0.46 -4.37 121.20 125.60 3iu4 s ILE 20 Ca -0.13 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 3iu4 s ILE 20 Cb -0.16 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3iu4 s ILE 20 CO 0.03 0.36 0.12 -0.89 0.00 0.00 0.00 174.94 174.56 3iu4 s THR 21 N 0.06 5.30 -0.30 2.92 2.01 -0.48 -0.82 115.64 124.33 3iu4 s THR 21 Ca -0.03 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 3iu4 s THR 21 Cb -0.10 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.07 3iu4 s THR 21 CO 0.02 0.52 0.03 0.00 -0.69 0.00 0.00 174.62 174.49 3iu4 s THR 23 N 1.35 5.39 0.27 0.00 2.01 0.25 -0.75 115.64 124.16 3iu4 s THR 23 Ca -0.02 0.29 0.11 0.00 0.31 0.00 0.00 61.69 62.38 3iu4 s THR 23 Cb -0.19 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 3iu4 s THR 23 CO -0.00 0.47 -0.17 0.68 -0.69 0.00 0.00 174.62 174.90 3iu4 s VAL 24 N 0.08 2.28 0.17 3.82 -7.23 -0.20 -0.76 120.40 118.55 3iu4 s VAL 24 Ca 0.12 -2.34 -0.14 0.00 -1.81 0.00 0.00 61.98 57.81 3iu4 s VAL 24 Cb -0.12 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.54 3iu4 s VAL 24 CO 0.01 -0.41 0.41 -0.94 -0.31 0.00 0.00 175.10 173.85 3iu4 s SER 25 N -3.48 -0.14 0.00 4.85 1.04 -0.57 -4.81 113.70 110.58 3iu4 s SER 25 Ca 0.29 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.14 3iu4 s SER 25 Cb -0.03 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3iu4 s SER 25 CO 0.13 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3iu4 n GLY 26 N -0.26 1.05 3.57 7.32 0.00 -1.26 -1.83 105.19 113.78 3iu4 n GLY 26 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3iu4 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iu4 s PHE 27 N -2.79 -0.31 -0.19 1.61 -0.12 -1.26 -4.47 117.98 110.44 3iu4 s PHE 27 Ca 0.00 0.10 -0.13 0.00 -0.05 0.00 0.00 56.93 56.86 3iu4 s PHE 27 Cb 0.00 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 3iu4 s PHE 27 CO 0.00 -0.71 0.25 0.45 -0.05 0.00 0.00 175.22 175.16 3iu4 s SER 28 N -2.67 6.33 0.59 1.98 0.15 -1.26 -4.97 113.70 113.85 3iu4 s SER 28 Ca 0.07 0.37 0.38 0.00 0.70 0.00 0.00 55.95 57.47 3iu4 s SER 28 Cb -0.01 -2.16 1.79 0.00 -1.71 0.00 0.00 66.02 63.93 3iu4 s SER 28 CO -0.06 0.08 2.13 -0.07 1.20 0.00 0.00 173.24 176.52 3iu4 h LEU 29 N 7.01 0.00 -1.68 3.45 3.38 -1.87 -1.76 115.31 123.83 3iu4 h LEU 29 Ca -0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3iu4 h LEU 29 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3iu4 h LEU 29 CO 0.73 0.00 -0.11 0.77 0.09 0.00 0.00 178.44 179.92 3iu4 h SER 30 N 0.00 0.00 -0.12 -0.43 4.64 -1.90 -3.17 113.55 112.57 3iu4 h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iu4 h SER 30 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3iu4 h SER 30 CO 0.00 0.11 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 3iu4 n ARG 31 N -3.38 1.53 -4.06 4.77 1.74 -0.67 -4.13 116.66 112.46 3iu4 n ARG 31 Ca -0.01 -1.61 -0.11 0.00 -0.77 0.00 0.00 57.85 55.35 3iu4 n ARG 31 Cb 0.29 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 3iu4 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3iu4 s TYR 32 N -1.25 0.57 0.33 -1.55 2.02 -1.20 -4.85 117.35 111.42 3iu4 s TYR 32 Ca 0.21 -0.63 -0.18 0.00 -0.37 0.00 0.00 57.07 56.10 3iu4 s TYR 32 Cb 0.14 -0.36 -0.09 0.00 -0.40 0.00 0.00 41.96 41.25 3iu4 s TYR 32 CO 0.20 -0.15 0.81 -1.12 -1.57 0.00 0.00 175.55 173.72 3iu4 s SER 33 N -1.91 6.92 -0.04 2.29 0.01 -1.26 -3.48 113.70 116.23 3iu4 s SER 33 Ca -0.07 1.46 0.05 0.00 1.31 0.00 0.00 55.95 58.71 3iu4 s SER 33 Cb -0.06 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3iu4 s SER 33 CO -0.02 -0.19 -0.20 -0.69 0.41 0.00 0.00 173.24 172.56 3iu4 s VAL 34 N -1.91 1.62 0.26 3.43 1.01 -0.80 -2.44 120.40 121.56 3iu4 s VAL 34 Ca 0.54 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.80 3iu4 s VAL 34 Cb -0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3iu4 s VAL 34 CO 0.18 0.46 -0.17 -1.00 0.00 0.00 0.00 175.10 174.56 3iu4 s HIS 35 N -0.11 2.37 -0.07 5.22 3.76 0.46 -0.80 115.29 126.11 3iu4 s HIS 35 Ca -0.02 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 3iu4 s HIS 35 Cb -0.11 -1.06 -0.02 0.00 1.11 0.00 0.00 32.58 32.50 3iu4 s HIS 35 CO 0.02 0.66 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.82 3iu4 s TRP 36 N -2.31 2.65 0.01 1.40 0.52 0.03 -0.99 118.94 120.25 3iu4 s TRP 36 Ca 0.28 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.97 3iu4 s TRP 36 Cb -0.06 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 3iu4 s TRP 36 CO 0.15 -0.03 -0.04 0.08 0.02 0.00 0.00 176.95 177.13 3iu4 s VAL 37 N -0.29 0.25 0.20 4.03 1.01 -0.38 -0.61 120.40 124.60 3iu4 s VAL 37 Ca 0.02 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3iu4 s VAL 37 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 3iu4 s VAL 37 CO 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 175.10 174.95 3iu4 s ARG 38 N -0.65 1.22 -0.25 2.72 1.70 0.03 -0.37 118.95 123.36 3iu4 s ARG 38 Ca -0.05 -1.59 -0.02 0.00 -0.47 0.00 0.00 55.73 53.60 3iu4 s ARG 38 Cb -0.05 -0.58 0.12 0.00 -0.57 0.00 0.00 34.95 33.88 3iu4 s ARG 38 CO -0.00 -0.05 0.28 -1.14 -1.08 0.00 0.00 175.30 173.31 3iu4 s GLN 39 N -3.83 0.27 0.58 3.89 0.74 0.42 -0.99 119.66 120.74 3iu4 s GLN 39 Ca 0.24 0.12 -0.20 0.00 0.05 0.00 0.00 55.36 55.57 3iu4 s GLN 39 Cb 0.05 -0.85 -0.04 0.00 1.10 0.00 0.00 33.01 33.27 3iu4 s GLN 39 CO 0.06 -0.81 1.25 -2.30 -0.55 0.00 0.00 175.29 172.94 3iu4 n PRO 40 N 5.32 1.35 -1.68 1.67 -0.02 -1.26 -0.90 135.00 139.49 3iu4 n PRO 40 Ca -0.04 0.51 -0.53 0.00 -2.02 0.00 0.00 63.50 61.42 3iu4 n PRO 40 Cb 0.48 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3iu4 n PRO 40 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3iu4 n PRO 41 N -1.22 1.55 -0.99 0.52 -0.02 -1.26 -0.43 135.00 133.15 3iu4 n PRO 41 Ca 0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3iu4 n PRO 41 Cb 0.46 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3iu4 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu4 n GLY 42 N 3.88 0.87 0.00 -1.23 0.00 -1.26 -4.98 105.19 102.47 3iu4 n GLY 42 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3iu4 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iu4 n LYS 43 N -2.16 2.61 -0.22 1.61 5.02 0.42 -5.16 118.16 120.28 3iu4 n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3iu4 n LYS 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3iu4 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iu4 n GLY 44 N 5.00 1.41 3.47 0.72 0.00 -1.26 -4.73 105.19 109.79 3iu4 n GLY 44 Ca 0.00 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 3iu4 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu4 s LEU 45 N 0.00 2.67 -0.12 0.99 1.43 -1.26 -4.08 118.68 118.31 3iu4 s LEU 45 Ca 0.00 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3iu4 s LEU 45 Cb 0.00 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.70 3iu4 s LEU 45 CO 0.00 0.31 -0.07 -0.70 0.23 0.00 0.00 176.35 176.11 3iu4 s GLU 46 N -1.04 1.48 0.19 1.70 2.12 -0.17 -4.97 118.70 118.02 3iu4 s GLU 46 Ca 0.13 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 3iu4 s GLU 46 Cb -0.11 -1.60 -0.08 0.00 0.26 0.00 0.00 34.13 32.61 3iu4 s GLU 46 CO 0.03 -0.28 1.04 -0.46 -0.54 0.00 0.00 175.26 175.05 3iu4 s TRP 47 N 1.71 3.71 -0.17 5.30 -0.00 -1.26 -0.79 118.94 127.45 3iu4 s TRP 47 Ca 0.05 1.72 0.00 0.00 -0.00 0.00 0.00 56.10 57.86 3iu4 s TRP 47 Cb -0.13 -3.18 -0.11 0.00 -0.00 0.00 0.00 33.47 30.06 3iu4 s TRP 47 CO -0.08 -0.23 -0.16 1.28 -0.00 0.00 0.00 176.95 177.76 3iu4 n LEU 48 N 2.11 2.79 0.00 5.86 4.77 0.22 -4.70 117.00 128.04 3iu4 n LEU 48 Ca 0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3iu4 n LEU 48 Cb 0.47 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3iu4 n LEU 48 CO 0.53 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 3iu4 n GLY 49 N 2.61 0.90 3.19 -0.72 0.00 -1.19 -0.86 105.19 109.11 3iu4 n GLY 49 Ca -0.30 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3iu4 n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3iu4 s MET 50 N -2.00 0.75 -0.11 1.61 0.23 -0.28 -0.79 119.30 118.72 3iu4 s MET 50 Ca 0.00 -0.80 0.01 0.00 -1.03 0.00 0.00 55.69 53.88 3iu4 s MET 50 Cb 0.00 0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3iu4 s MET 50 CO 0.00 -0.22 -0.13 -1.50 -2.03 0.00 0.00 175.02 171.13 3iu4 s ILE 51 N -3.17 1.37 0.72 3.16 2.07 0.02 -2.03 121.20 123.33 3iu4 s ILE 51 Ca -0.00 -0.56 -0.11 0.00 -1.41 0.00 0.00 60.65 58.57 3iu4 s ILE 51 Cb 0.02 -1.28 0.02 0.00 0.13 0.00 0.00 42.46 41.35 3iu4 s ILE 51 CO -0.07 0.42 1.07 0.26 -1.91 0.00 0.00 174.94 174.71 3iu4 s TRP 52 N 1.11 3.15 0.27 3.50 0.52 0.40 -1.91 118.94 125.97 3iu4 s TRP 52 Ca -0.05 1.26 -0.01 0.00 0.02 0.00 0.00 56.10 57.32 3iu4 s TRP 52 Cb -0.14 -2.96 0.58 0.00 -1.15 0.00 0.00 33.47 29.79 3iu4 s TRP 52 CO -0.03 -1.30 1.70 0.78 0.02 0.00 0.00 176.95 178.12 3iu4 h GLY 53 N -0.76 1.26 2.00 0.98 0.00 -1.75 -0.29 103.07 104.51 3iu4 h GLY 53 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3iu4 h GLY 53 CO 0.60 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.53 3iu4 n GLY 54 N -1.35 -1.44 0.00 4.60 0.00 -1.26 -4.44 105.19 101.31 3iu4 n GLY 54 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3iu4 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu4 n GLY 55 N 0.82 1.98 3.76 -0.02 0.00 -0.12 -5.10 105.19 106.51 3iu4 n GLY 55 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3iu4 n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iu4 s SER 56 N -1.98 4.69 0.16 1.61 0.01 -1.26 -4.70 113.70 112.23 3iu4 s SER 56 Ca 0.00 1.96 0.05 0.00 1.31 0.00 0.00 55.95 59.28 3iu4 s SER 56 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3iu4 s SER 56 CO 0.00 -1.91 -0.12 0.42 0.41 0.00 0.00 173.24 172.04 3iu4 s THR 57 N -2.56 1.32 -0.02 1.44 -4.23 -1.26 -0.45 115.64 109.88 3iu4 s THR 57 Ca 0.65 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 3iu4 s THR 57 Cb -0.20 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.81 3iu4 s THR 57 CO 0.48 -0.67 0.11 -0.62 -0.54 0.00 0.00 174.62 173.39 3iu4 s ASP 58 N -3.09 -0.02 0.08 3.99 2.15 -0.86 -5.00 116.67 113.91 3iu4 s ASP 58 Ca 0.17 -0.02 0.05 0.00 0.43 0.00 0.00 52.55 53.18 3iu4 s ASP 58 Cb 0.01 0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 42.82 3iu4 s ASP 58 CO 0.02 -0.21 -0.14 -0.31 -0.17 0.00 0.00 175.17 174.37 3iu4 s TYR 59 N -0.71 1.22 0.17 -5.34 2.02 -1.26 -1.12 117.35 112.33 3iu4 s TYR 59 Ca -0.08 -0.49 -0.31 0.00 -0.37 0.00 0.00 57.07 55.82 3iu4 s TYR 59 Cb -0.05 -0.68 -0.09 0.00 -0.40 0.00 0.00 41.96 40.75 3iu4 s TYR 59 CO 0.01 0.06 1.42 1.21 -1.57 0.00 0.00 175.55 176.68 3iu4 s ASN 60 N -1.90 6.76 0.48 2.29 3.84 -0.04 -4.89 114.94 121.48 3iu4 s ASN 60 Ca 0.00 2.47 0.19 0.00 0.21 0.00 0.00 52.86 55.73 3iu4 s ASN 60 Cb -0.09 -2.60 1.20 0.00 -0.55 0.00 0.00 41.25 39.22 3iu4 s ASN 60 CO 0.02 -0.67 2.04 0.28 -2.79 0.00 0.00 177.10 175.98 3iu4 h SER 61 N 6.14 0.00 0.00 -4.21 0.02 -1.95 -1.46 113.55 112.09 3iu4 h SER 61 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3iu4 h SER 61 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3iu4 h SER 61 CO 0.84 0.14 0.04 0.00 -1.14 0.00 0.00 176.83 176.71 3iu4 n ALA 62 N -2.43 0.97 1.25 3.77 0.00 -1.26 -0.44 120.51 122.37 3iu4 n ALA 62 Ca -0.02 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.68 3iu4 n ALA 62 Cb 0.22 -1.15 0.36 0.00 0.00 0.00 0.00 19.45 18.88 3iu4 n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iu4 n LEU 63 N -1.99 1.19 -3.70 0.00 4.77 -0.55 -4.94 117.00 111.78 3iu4 n LEU 63 Ca -0.01 -0.34 -0.24 0.00 -0.03 0.00 0.00 56.01 55.39 3iu4 n LEU 63 Cb 0.06 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3iu4 n LEU 63 CO 0.06 0.22 0.07 0.29 -1.33 0.00 0.00 177.39 176.70 3iu4 n LYS 64 N -0.47 -5.91 -0.88 3.23 5.02 0.42 -1.80 118.16 117.76 3iu4 n LYS 64 Ca 0.13 0.69 -0.00 0.00 -2.02 0.00 0.00 58.31 57.10 3iu4 n LYS 64 Cb 0.36 -5.50 -0.00 0.00 -0.02 0.00 0.00 35.03 29.87 3iu4 n LYS 64 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3iu4 n SER 65 N -3.00 -5.21 0.21 4.39 7.64 -1.26 -4.85 113.62 111.55 3iu4 n SER 65 Ca -0.14 0.01 0.15 0.00 1.01 0.00 0.00 58.87 59.89 3iu4 n SER 65 Cb 0.61 -3.13 0.57 0.00 -1.01 0.00 0.00 64.21 61.25 3iu4 n SER 65 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3iu4 h ARG 66 N 0.00 0.00 -5.68 1.43 3.08 -1.70 -3.45 114.38 108.06 3iu4 h ARG 66 Ca -0.01 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.38 3iu4 h ARG 66 Cb 0.88 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.74 3iu4 h ARG 66 CO 0.01 0.00 -0.66 -1.17 -1.07 0.00 0.00 179.97 177.08 3iu4 s LEU 67 N -5.50 3.34 0.15 3.04 2.96 -1.26 -1.03 118.68 120.38 3iu4 s LEU 67 Ca 0.03 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3iu4 s LEU 67 Cb 0.09 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 3iu4 s LEU 67 CO 0.50 0.27 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.79 3iu4 s SER 68 N -0.25 1.68 -0.02 3.68 1.04 0.03 -5.01 113.70 114.84 3iu4 s SER 68 Ca 0.05 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.44 3iu4 s SER 68 Cb -0.13 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3iu4 s SER 68 CO 0.02 -0.39 -0.05 -0.63 0.98 0.00 0.00 173.24 173.18 3iu4 s ILE 69 N -3.40 0.44 0.29 -1.02 1.01 -1.26 -1.10 121.20 116.16 3iu4 s ILE 69 Ca 0.18 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.67 3iu4 s ILE 69 Cb 0.03 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 3iu4 s ILE 69 CO 0.01 0.15 0.13 -0.94 0.00 0.00 0.00 174.94 174.29 3iu4 s SER 70 N 0.22 1.47 0.18 3.58 1.04 -0.64 -4.98 113.70 114.57 3iu4 s SER 70 Ca -0.02 -1.48 -0.13 0.00 0.48 0.00 0.00 55.95 54.79 3iu4 s SER 70 Cb -0.06 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.34 3iu4 s SER 70 CO -0.00 -0.81 0.41 -1.59 0.98 0.00 0.00 173.24 172.23 3iu4 s LYS 71 N -3.91 1.27 -0.39 4.02 -2.85 -1.26 -0.24 119.74 116.37 3iu4 s LYS 71 Ca 0.36 -1.00 0.02 0.00 -1.00 0.00 0.00 55.97 54.34 3iu4 s LYS 71 Cb 0.06 0.45 0.12 0.00 -2.06 0.00 0.00 37.83 36.40 3iu4 s LYS 71 CO 0.15 -0.50 0.16 0.34 0.10 0.00 0.00 175.35 175.60 3iu4 s ASP 72 N -2.91 4.05 0.24 0.03 -1.08 0.18 -4.99 116.67 112.20 3iu4 s ASP 72 Ca 0.13 -2.29 -0.04 0.00 -0.52 0.00 0.00 52.55 49.82 3iu4 s ASP 72 Cb 0.01 -1.17 0.41 0.00 -1.46 0.00 0.00 42.92 40.71 3iu4 s ASP 72 CO -0.02 -0.33 1.79 0.78 0.52 0.00 0.00 175.17 177.92 3iu4 h ASN 73 N 7.27 0.60 0.07 -0.34 2.35 -1.97 -0.91 115.58 122.65 3iu4 h ASN 73 Ca -0.06 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3iu4 h ASN 73 Cb 0.97 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 3iu4 h ASN 73 CO 0.51 0.32 -0.02 0.77 -1.65 0.00 0.00 177.43 177.36 3iu4 h SER 74 N 0.71 0.00 -0.24 5.81 4.64 -1.95 -2.01 113.55 120.52 3iu4 h SER 74 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3iu4 h SER 74 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3iu4 h SER 74 CO -0.28 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.00 3iu4 n LYS 75 N -3.82 2.67 -3.56 4.77 4.76 -0.47 -4.98 118.16 117.53 3iu4 n LYS 75 Ca -0.03 -1.83 -0.22 0.00 -2.87 0.00 0.00 58.31 53.36 3iu4 n LYS 75 Cb 0.11 -1.20 0.08 0.00 -1.84 0.00 0.00 35.03 32.19 3iu4 n LYS 75 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3iu4 n SER 76 N 0.27 -5.04 -4.22 4.39 7.64 -0.47 -4.84 113.62 111.36 3iu4 n SER 76 Ca 0.08 -0.57 -0.28 0.00 1.01 0.00 0.00 58.87 59.11 3iu4 n SER 76 Cb 0.37 -5.02 -0.16 0.00 -1.01 0.00 0.00 64.21 58.38 3iu4 n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3iu4 s GLN 77 N -6.05 1.90 0.05 1.43 -0.21 -1.03 -1.04 119.66 114.72 3iu4 s GLN 77 Ca 0.41 -0.76 0.09 0.00 0.02 0.00 0.00 55.36 55.12 3iu4 s GLN 77 Cb -0.18 -1.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 3iu4 s GLN 77 CO 0.73 0.40 -0.23 0.08 -2.12 0.00 0.00 175.29 174.15 3iu4 s VAL 78 N -0.32 2.39 -0.09 1.09 1.01 0.07 -0.64 120.40 123.90 3iu4 s VAL 78 Ca 0.03 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.70 3iu4 s VAL 78 Cb -0.10 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3iu4 s VAL 78 CO 0.01 0.34 -0.17 -0.36 0.00 0.00 0.00 175.10 174.92 3iu4 s PHE 79 N -0.87 1.95 -0.11 5.22 0.08 0.66 -0.17 117.98 124.76 3iu4 s PHE 79 Ca 0.13 -0.82 -0.06 0.00 0.12 0.00 0.00 56.93 56.31 3iu4 s PHE 79 Cb -0.10 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 3iu4 s PHE 79 CO 0.03 -0.38 0.11 -1.17 -0.10 0.00 0.00 175.22 173.71 3iu4 s LEU 80 N 0.66 4.19 -0.09 -0.37 0.20 -0.00 -1.63 118.68 121.65 3iu4 s LEU 80 Ca -0.13 0.39 0.00 0.00 0.69 0.00 0.00 54.13 55.08 3iu4 s LEU 80 Cb -0.16 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.59 3iu4 s LEU 80 CO 0.04 0.40 -0.08 -0.75 -0.29 0.00 0.00 176.35 175.67 3iu4 s LYS 81 N -1.03 1.40 -0.05 1.98 2.20 -0.26 -1.35 119.74 122.62 3iu4 s LYS 81 Ca 0.15 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.53 3iu4 s LYS 81 Cb -0.12 -1.38 0.02 0.00 -1.51 0.00 0.00 37.83 34.84 3iu4 s LYS 81 CO 0.04 -0.17 -0.07 1.41 -0.36 0.00 0.00 175.35 176.21 3iu4 s MET 82 N 1.35 1.12 0.53 4.03 1.75 -0.19 -0.79 119.30 127.09 3iu4 s MET 82 Ca -0.02 -0.20 -0.02 0.00 -1.25 0.00 0.00 55.69 54.20 3iu4 s MET 82 Cb -0.14 -1.04 0.01 0.00 2.84 0.00 0.00 34.83 36.50 3iu4 s MET 82 CO -0.04 -0.06 0.79 -0.80 -0.65 0.00 0.00 175.02 174.26 3iu4 s ASN 82 N 0.90 5.63 -1.20 1.11 0.01 -0.19 -0.43 114.94 120.76 3iu4 s ASN 82 Ca -0.11 0.42 -0.04 0.00 -0.71 0.00 0.00 52.86 52.42 3iu4 s ASN 82 Cb -0.15 -1.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.99 3iu4 s ASN 82 CO 0.01 -0.93 0.83 -1.20 -1.51 0.00 0.00 177.10 174.30 3iu4 n SER 82 N -2.34 -3.05 -4.77 -1.22 7.64 -1.18 -4.90 113.62 103.80 3iu4 n SER 82 Ca 0.04 -0.77 -0.38 0.00 1.01 0.00 0.00 58.87 58.76 3iu4 n SER 82 Cb 0.58 -4.49 -0.04 0.00 -1.01 0.00 0.00 64.21 59.25 3iu4 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3iu4 s LEU 82 N -6.30 4.32 0.00 -3.43 1.02 -0.45 -4.65 118.68 109.20 3iu4 s LEU 82 Ca 0.16 2.19 0.01 0.00 0.02 0.00 0.00 54.13 56.51 3iu4 s LEU 82 Cb -0.03 -3.92 -0.00 0.00 0.02 0.00 0.00 46.19 42.25 3iu4 s LEU 82 CO 0.78 -0.38 0.04 0.00 0.02 0.00 0.00 176.35 176.82 3iu4 n GLN 83 N 0.48 0.72 -0.25 1.70 1.13 -1.26 -0.11 117.38 119.79 3iu4 n GLN 83 Ca 0.02 -0.90 0.10 0.00 -1.94 0.00 0.00 57.00 54.28 3iu4 n GLN 83 Cb 0.47 0.53 0.36 0.00 0.11 0.00 0.00 30.24 31.71 3iu4 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3iu4 h THR 84 N 1.19 0.91 0.00 5.09 1.03 -1.96 0.14 112.91 119.31 3iu4 h THR 84 Ca -0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 3iu4 h THR 84 Cb 0.32 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.50 3iu4 h THR 84 CO 0.12 0.13 0.00 0.47 -0.01 0.00 0.00 175.52 176.24 3iu4 n ASP 85 N -4.53 0.51 -0.18 0.00 8.00 -1.26 -2.10 116.55 116.99 3iu4 n ASP 85 Ca 0.15 0.63 0.13 0.00 0.71 0.00 0.00 54.79 56.42 3iu4 n ASP 85 Cb 0.38 -0.74 0.48 0.00 -0.02 0.00 0.00 41.12 41.23 3iu4 n ASP 85 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iu4 n ASP 86 N -2.07 0.74 -4.67 -2.24 8.00 0.04 -4.81 116.55 111.54 3iu4 n ASP 86 Ca 0.02 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.40 3iu4 n ASP 86 Cb 0.21 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3iu4 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iu4 s THR 87 N -2.51 3.03 -0.18 -3.53 2.01 -0.89 -4.87 115.64 108.70 3iu4 s THR 87 Ca 0.26 0.27 -0.35 0.00 0.31 0.00 0.00 61.69 62.17 3iu4 s THR 87 Cb 0.20 -3.17 0.15 0.00 0.01 0.00 0.00 72.50 69.68 3iu4 s THR 87 CO 0.50 -0.01 1.34 0.00 -0.69 0.00 0.00 174.62 175.76 3iu4 s ALA 88 N 3.60 -2.24 0.03 7.40 0.00 -0.54 -4.42 121.76 125.60 3iu4 s ALA 88 Ca 0.81 1.45 -0.26 0.00 0.00 0.00 0.00 51.96 53.96 3iu4 s ALA 88 Cb -0.41 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 3iu4 s ALA 88 CO 0.36 -0.74 0.79 1.41 0.00 0.00 0.00 175.76 177.58 3iu4 s MET 89 N -2.19 4.51 -0.14 0.00 -2.45 -0.08 -0.93 119.30 118.02 3iu4 s MET 89 Ca 0.12 1.10 -0.02 0.00 -1.25 0.00 0.00 55.69 55.65 3iu4 s MET 89 Cb 0.02 -3.38 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 3iu4 s MET 89 CO -0.04 0.23 -0.08 0.71 1.05 0.00 0.00 175.02 176.88 3iu4 s TYR 90 N 0.13 2.92 -0.00 4.11 2.02 0.11 -0.43 117.35 126.21 3iu4 s TYR 90 Ca 0.40 -0.45 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 3iu4 s TYR 90 Cb -0.20 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 3iu4 s TYR 90 CO 0.23 -0.10 -0.25 0.71 -1.57 0.00 0.00 175.55 174.57 3iu4 s TYR 91 N 0.31 2.20 0.10 2.71 2.02 0.51 -1.13 117.35 124.07 3iu4 s TYR 91 Ca -0.07 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 3iu4 s TYR 91 Cb -0.15 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 3iu4 s TYR 91 CO 0.04 0.00 0.23 0.00 -1.57 0.00 0.00 175.55 174.25 3iu4 s ALA 93 N -1.61 -0.48 -0.15 0.00 0.00 -0.16 -1.02 121.76 118.35 3iu4 s ALA 93 Ca 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 3iu4 s ALA 93 Cb -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3iu4 s ALA 93 CO 0.28 -0.23 0.12 0.50 0.00 0.00 0.00 175.76 176.42 3iu4 s ARG 94 N -1.44 3.67 0.63 0.00 3.52 0.73 -0.41 118.95 125.65 3iu4 s ARG 94 Ca -0.14 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 3iu4 s ARG 94 Cb -0.06 -3.22 0.06 0.00 -1.56 0.00 0.00 34.95 30.16 3iu4 s ARG 94 CO 0.02 0.59 0.88 -1.54 -0.81 0.00 0.00 175.30 174.44 3iu4 s SER 95 N -0.49 4.94 0.59 -2.12 1.04 -1.02 -1.60 113.70 115.03 3iu4 s SER 95 Ca 0.12 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 3iu4 s SER 95 Cb -0.12 -0.72 0.03 0.00 0.10 0.00 0.00 66.02 65.31 3iu4 s SER 95 CO 0.02 -1.42 0.86 -0.83 0.98 0.00 0.00 173.24 172.84 3iu4 s GLY 96 N -4.52 1.67 -0.13 7.32 0.00 -0.85 -4.71 107.32 106.11 3iu4 s GLY 96 Ca 0.60 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 44.37 3iu4 s GLY 96 CO 0.41 -0.67 -0.17 -1.34 0.00 0.00 0.00 173.10 171.33 3iu4 s VAL 97 N -2.93 1.66 0.00 1.40 -7.23 -1.26 -2.61 120.40 109.44 3iu4 s VAL 97 Ca 0.55 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 3iu4 s VAL 97 Cb -0.10 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3iu4 s VAL 97 CO 0.42 0.47 0.00 0.54 -0.31 0.00 0.00 175.10 176.22 3iu4 n ARG 98 N 4.29 2.29 -2.73 4.82 5.12 -1.26 -4.96 116.66 124.22 3iu4 n ARG 98 Ca -0.19 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.39 3iu4 n ARG 98 Cb 0.51 -0.81 -0.06 0.00 -1.16 0.00 0.00 32.46 30.94 3iu4 n ARG 98 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iu4 s ALA 100 N -1.34 3.06 -0.15 7.54 0.00 -1.26 -5.24 121.76 124.37 3iu4 s ALA 100 Ca 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 3iu4 s ALA 100 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3iu4 s ALA 100 CO 0.00 0.03 -0.04 -0.65 0.00 0.00 0.00 175.76 175.10 3iu4 s GLN 100 N -2.85 3.59 -0.23 0.00 -1.52 -1.07 -5.04 119.66 112.52 3iu4 s GLN 100 Ca 0.60 -0.51 -0.04 0.00 -1.95 0.00 0.00 55.36 53.45 3iu4 s GLN 100 Cb -0.14 -2.89 -0.05 0.00 -0.22 0.00 0.00 33.01 29.71 3iu4 s GLN 100 CO 0.18 0.29 2.94 0.00 -0.25 0.00 0.00 175.29 178.46 3iu4 n ALA 100 N 3.38 6.08 -2.46 6.09 0.00 -1.26 -3.15 120.51 129.19 3iu4 n ALA 100 Ca -0.17 -2.19 -0.24 0.00 0.00 0.00 0.00 53.44 50.84 3iu4 n ALA 100 Cb 0.53 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 3iu4 n ALA 100 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3iu4 s TRP 100 N -0.58 2.24 -0.37 0.00 1.48 -1.26 -5.03 118.94 115.42 3iu4 s TRP 100 Ca 0.54 -0.35 -0.00 0.00 -1.06 0.00 0.00 56.10 55.22 3iu4 s TRP 100 Cb 0.31 -0.98 0.10 0.00 -1.16 0.00 0.00 33.47 31.74 3iu4 s TRP 100 CO -0.10 0.68 0.13 -0.06 -4.06 0.00 0.00 176.95 173.54 3iu4 s PHE 100 N -2.49 3.61 -0.11 1.66 0.08 -1.26 -2.00 117.98 117.47 3iu4 s PHE 100 Ca 0.29 -2.55 0.15 0.00 0.12 0.00 0.00 56.93 54.94 3iu4 s PHE 100 Cb -0.05 -3.00 -0.09 0.00 -0.57 0.00 0.00 43.02 39.32 3iu4 s PHE 100 CO 0.14 -0.95 1.05 0.00 -0.10 0.00 0.00 175.22 175.36 3iu4 h ALA 101 N 7.90 0.64 -3.72 5.36 0.00 -1.58 -3.45 119.26 124.41 3iu4 h ALA 101 Ca -0.11 -0.77 -0.39 0.00 0.00 0.00 0.00 54.91 53.65 3iu4 h ALA 101 Cb 1.04 0.14 -0.31 0.00 0.00 0.00 0.00 17.79 18.66 3iu4 h ALA 101 CO 0.62 0.89 -0.77 0.71 0.00 0.00 0.00 179.25 180.70 3iu4 s TYR 102 N -2.90 0.72 0.10 0.00 2.02 -1.19 -5.00 117.35 111.11 3iu4 s TYR 102 Ca -0.00 -0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.60 3iu4 s TYR 102 Cb 0.08 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 3iu4 s TYR 102 CO 0.79 -0.10 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.89 3iu4 s TRP 103 N 0.37 1.76 1.02 2.71 0.52 -1.26 -0.19 118.94 123.86 3iu4 s TRP 103 Ca -0.05 -0.42 -0.15 0.00 0.02 0.00 0.00 56.10 55.50 3iu4 s TRP 103 Cb -0.09 -0.96 0.20 0.00 -1.15 0.00 0.00 33.47 31.47 3iu4 s TRP 103 CO 0.00 0.20 1.14 0.20 0.02 0.00 0.00 176.95 178.52 3iu4 s GLY 104 N -1.93 1.60 0.11 0.98 0.00 -0.19 -4.61 107.32 103.28 3iu4 s GLY 104 Ca 0.06 -0.69 0.23 0.00 0.00 0.00 0.00 44.72 44.32 3iu4 s GLY 104 CO 0.04 -0.01 1.72 0.61 0.00 0.00 0.00 173.10 175.46 3iu4 n GLN 105 N -4.14 0.11 0.00 2.90 10.64 -1.26 -4.86 117.38 120.77 3iu4 n GLN 105 Ca 0.09 0.22 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 3iu4 n GLN 105 Cb 0.59 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 3iu4 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3iu4 n GLY 106 N 0.69 -1.98 2.93 2.61 0.00 -1.26 -5.03 105.19 103.15 3iu4 n GLY 106 Ca 0.05 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 3iu4 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iu4 s THR 107 N -3.15 0.56 -0.07 2.61 -1.32 -0.28 -4.82 115.64 109.16 3iu4 s THR 107 Ca 0.00 -0.20 -0.21 0.00 -1.21 0.00 0.00 61.69 60.07 3iu4 s THR 107 Cb 0.00 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 3iu4 s THR 107 CO 0.00 0.20 0.61 -0.22 -2.21 0.00 0.00 174.62 173.00 3iu4 s LEU 108 N 0.48 4.32 -0.15 9.08 2.96 -1.26 -0.71 118.68 133.41 3iu4 s LEU 108 Ca -0.06 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 3iu4 s LEU 108 Cb -0.10 -2.92 -0.00 0.00 0.50 0.00 0.00 46.19 43.66 3iu4 s LEU 108 CO 0.00 -0.04 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.15 3iu4 s VAL 109 N 0.57 2.71 -0.14 1.68 1.01 -0.11 -4.17 120.40 121.95 3iu4 s VAL 109 Ca 0.32 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3iu4 s VAL 109 Cb -0.17 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3iu4 s VAL 109 CO 0.15 0.52 -0.13 -0.89 0.00 0.00 0.00 175.10 174.75 3iu4 s THR 110 N 0.68 2.96 -0.32 3.92 2.01 0.19 -1.47 115.64 123.62 3iu4 s THR 110 Ca -0.07 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 3iu4 s THR 110 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 3iu4 s THR 110 CO 0.02 0.52 0.38 -0.69 -0.69 0.00 0.00 174.62 174.16 3iu4 s VAL 111 N 0.55 5.15 -0.25 3.82 1.01 -1.26 -1.43 120.40 127.99 3iu4 s VAL 111 Ca -0.08 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 3iu4 s VAL 111 Cb -0.16 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.52 3iu4 s VAL 111 CO 0.04 -0.03 0.88 -0.55 0.00 0.00 0.00 175.10 175.43 3iu4 s SER 112 N 1.71 -0.58 0.00 3.32 0.15 -0.22 -4.85 113.70 113.22 3iu4 s SER 112 Ca 0.14 1.06 0.30 0.00 0.70 0.00 0.00 55.95 58.15 3iu4 s SER 112 Cb -0.16 1.05 1.52 0.00 -1.71 0.00 0.00 66.02 66.72 3iu4 s SER 112 CO 0.11 -0.24 2.02 0.00 1.20 0.00 0.00 173.24 176.33 3iu4 n ALA 113 N 2.20 2.67 -1.83 5.45 0.00 -1.26 -3.75 120.51 123.99 3iu4 n ALA 113 Ca -0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 3iu4 n ALA 113 Cb 0.56 -1.40 0.15 0.00 0.00 0.00 0.00 19.45 18.76 3iu4 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iu4 s ALA 114 N -2.18 2.23 0.16 0.00 0.00 -1.26 -5.05 121.76 115.66 3iu4 s ALA 114 Ca 0.39 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 3iu4 s ALA 114 Cb 0.21 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.39 3iu4 s ALA 114 CO 0.40 -2.23 0.49 -1.12 0.00 0.00 0.00 175.76 173.29 3iu4 s SER 115 N -4.64 6.65 0.35 0.00 0.01 -1.26 -5.02 113.70 109.80 3iu4 s SER 115 Ca 0.69 0.87 -0.28 0.00 1.31 0.00 0.00 55.95 58.54 3iu4 s SER 115 Cb -0.08 -2.21 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 3iu4 s SER 115 CO 0.52 0.05 1.32 -0.89 0.41 0.00 0.00 173.24 174.65 3iu4 s THR 116 N -1.61 2.63 -0.03 1.44 2.01 -1.26 -4.75 115.64 114.07 3iu4 s THR 116 Ca 0.41 0.62 -0.01 0.00 0.31 0.00 0.00 61.69 63.02 3iu4 s THR 116 Cb -0.13 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 69.02 3iu4 s THR 116 CO 0.20 0.14 0.05 -0.75 -0.69 0.00 0.00 174.62 173.57 3iu4 s LYS 117 N -1.91 -0.04 0.68 4.92 2.20 0.83 -4.94 119.74 121.47 3iu4 s LYS 117 Ca 0.51 0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 56.27 3iu4 s LYS 117 Cb -0.40 -0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 35.60 3iu4 s LYS 117 CO 0.53 -0.22 1.06 0.20 -0.36 0.00 0.00 175.35 176.56 3iu4 s GLY 118 N 1.43 1.65 0.52 5.54 0.00 -1.26 -0.84 107.32 114.36 3iu4 s GLY 118 Ca -0.05 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.38 3iu4 s GLY 118 CO -0.03 0.20 1.00 2.56 0.00 0.00 0.00 173.10 176.84 3iu4 s PRO 119 N -5.18 3.81 -0.05 2.90 0.04 -1.26 -4.43 135.00 130.82 3iu4 s PRO 119 Ca 0.57 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 3iu4 s PRO 119 Cb -0.12 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3iu4 s PRO 119 CO 0.54 -0.39 0.21 -1.12 0.04 0.00 0.00 177.00 176.27 3iu4 s SER 120 N -2.77 6.45 -0.17 6.66 0.01 0.35 -4.92 113.70 119.31 3iu4 s SER 120 Ca 0.61 0.52 0.01 0.00 1.31 0.00 0.00 55.95 58.40 3iu4 s SER 120 Cb -0.12 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.06 3iu4 s SER 120 CO 0.29 0.33 -0.16 -0.69 0.41 0.00 0.00 173.24 173.42 3iu4 s VAL 121 N -1.16 1.84 0.09 3.43 1.01 -1.26 -0.91 120.40 123.43 3iu4 s VAL 121 Ca 0.22 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3iu4 s VAL 121 Cb -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3iu4 s VAL 121 CO 0.11 0.44 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 3iu4 s PHE 122 N 1.37 2.41 0.45 5.22 0.08 -0.15 -4.96 117.98 122.40 3iu4 s PHE 122 Ca 0.04 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 3iu4 s PHE 122 Cb -0.14 -1.35 -0.09 0.00 -0.57 0.00 0.00 43.02 40.88 3iu4 s PHE 122 CO -0.11 0.27 1.04 -1.25 -0.10 0.00 0.00 175.22 175.07 3iu4 s PRO 123 N -1.73 3.96 -0.48 0.24 0.04 -1.26 -0.02 135.00 135.75 3iu4 s PRO 123 Ca 0.14 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 3iu4 s PRO 123 Cb -0.10 -2.27 0.13 0.00 0.04 0.00 0.00 34.50 32.30 3iu4 s PRO 123 CO 0.06 -0.30 0.27 -0.51 0.04 0.00 0.00 177.00 176.56 3iu4 s LEU 124 N -3.15 5.18 0.22 -3.56 1.43 0.48 -4.76 118.68 114.53 3iu4 s LEU 124 Ca 0.63 -2.34 -0.19 0.00 -1.03 0.00 0.00 54.13 51.20 3iu4 s LEU 124 Cb -0.18 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 3iu4 s LEU 124 CO 0.22 -0.47 0.70 0.00 0.23 0.00 0.00 176.35 177.04 3iu4 s ALA 125 N 0.68 3.43 0.35 4.21 0.00 -1.26 -0.96 121.76 128.21 3iu4 s ALA 125 Ca 0.12 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 3iu4 s ALA 125 Cb -0.22 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 3iu4 s ALA 125 CO -0.04 0.35 1.07 -1.25 0.00 0.00 0.00 175.76 175.88 3iu4 s PRO 126 N -2.06 4.36 0.33 0.00 0.04 -1.26 -4.89 135.00 131.53 3iu4 s PRO 126 Ca 0.43 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 3iu4 s PRO 126 Cb -0.16 -2.82 -0.11 0.00 0.04 0.00 0.00 34.50 31.46 3iu4 s PRO 126 CO 0.20 0.01 1.48 0.45 0.04 0.00 0.00 177.00 179.19 3iu4 s SER 127 N -1.28 6.46 0.26 6.66 0.15 -1.26 -4.55 113.70 120.14 3iu4 s SER 127 Ca 0.52 2.92 0.14 0.00 0.70 0.00 0.00 55.95 60.23 3iu4 s SER 127 Cb -0.26 -2.65 0.12 0.00 -1.71 0.00 0.00 66.02 61.52 3iu4 s SER 127 CO 0.33 -0.81 1.46 0.77 1.20 0.00 0.00 173.24 176.19 3iu4 h SER 128 N 3.81 0.00 -0.33 5.45 4.64 -2.00 -3.50 113.55 121.62 3iu4 h SER 128 Ca -0.49 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.89 3iu4 h SER 128 Cb 1.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.26 3iu4 h SER 128 CO 0.70 0.60 -0.02 0.07 -0.87 0.00 0.00 176.83 177.31 3iu4 h LYS 129 N 0.00 0.06 0.00 4.77 -0.00 -2.03 -3.54 116.57 115.83 3iu4 h LYS 129 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 3iu4 h LYS 129 Cb 1.38 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.60 3iu4 h LYS 129 CO 0.08 0.04 0.00 0.41 -0.00 0.00 0.00 179.45 179.98 3iu4 n GLY 134 N -1.25 0.70 3.67 0.07 0.00 -1.26 -5.16 105.19 101.96 3iu4 n GLY 134 Ca 0.01 0.60 -0.35 0.00 0.00 0.00 0.00 46.02 46.28 3iu4 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu4 s THR 135 N 0.00 5.06 0.11 2.61 2.01 -1.26 -1.85 115.64 122.32 3iu4 s THR 135 Ca 0.00 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.12 3iu4 s THR 135 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3iu4 s THR 135 CO 0.00 0.45 -0.00 0.00 -0.69 0.00 0.00 174.62 174.38 3iu4 s ALA 136 N 0.40 3.27 0.01 7.40 0.00 0.37 -4.80 121.76 128.42 3iu4 s ALA 136 Ca 0.05 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.89 3iu4 s ALA 136 Cb -0.12 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3iu4 s ALA 136 CO -0.01 0.65 -0.16 0.00 0.00 0.00 0.00 175.76 176.24 3iu4 s ALA 137 N -1.40 2.64 0.23 0.00 0.00 -1.26 -0.51 121.76 121.46 3iu4 s ALA 137 Ca 0.26 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 3iu4 s ALA 137 Cb -0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3iu4 s ALA 137 CO 0.18 0.57 0.24 -0.48 0.00 0.00 0.00 175.76 176.28 3iu4 s LEU 138 N -1.24 0.98 0.00 0.00 0.05 -0.38 -4.06 118.68 114.02 3iu4 s LEU 138 Ca 0.14 -1.31 0.00 0.00 0.05 0.00 0.00 54.13 53.01 3iu4 s LEU 138 Cb -0.11 0.78 0.00 0.00 -2.05 0.00 0.00 46.19 44.82 3iu4 s LEU 138 CO 0.04 -0.95 0.00 0.61 -0.55 0.00 0.00 176.35 175.50 3iu4 n GLY 139 N -0.34 1.12 2.83 -3.48 0.00 -0.13 -0.34 105.19 104.85 3iu4 n GLY 139 Ca 0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3iu4 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu4 s LEU 141 N 0.62 4.16 -0.29 0.00 2.96 0.97 -1.00 118.68 126.10 3iu4 s LEU 141 Ca -0.06 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 3iu4 s LEU 141 Cb -0.08 -2.10 0.07 0.00 0.50 0.00 0.00 46.19 44.58 3iu4 s LEU 141 CO -0.01 0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 3iu4 s VAL 142 N 0.70 2.31 0.08 1.68 1.01 0.11 -0.97 120.40 125.31 3iu4 s VAL 142 Ca 0.08 -1.85 0.08 0.00 0.00 0.00 0.00 61.98 60.28 3iu4 s VAL 142 Cb -0.12 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3iu4 s VAL 142 CO 0.01 -0.24 -0.21 -0.75 0.00 0.00 0.00 175.10 173.92 3iu4 s LYS 143 N 1.05 1.24 -0.88 2.72 2.20 -0.08 -0.88 119.74 125.11 3iu4 s LYS 143 Ca -0.02 -1.08 -0.00 0.00 -0.36 0.00 0.00 55.97 54.50 3iu4 s LYS 143 Cb -0.20 -1.46 -0.01 0.00 -1.51 0.00 0.00 37.83 34.66 3iu4 s LYS 143 CO -0.06 0.35 0.74 -0.25 -0.36 0.00 0.00 175.35 175.78 3iu4 n ASP 144 N 1.38 -2.36 -4.53 1.43 8.00 0.60 -0.50 116.55 120.57 3iu4 n ASP 144 Ca -0.19 -0.47 -0.25 0.00 0.71 0.00 0.00 54.79 54.60 3iu4 n ASP 144 Cb 0.53 -3.95 -0.11 0.00 -0.02 0.00 0.00 41.12 37.58 3iu4 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3iu4 s TYR 145 N -3.27 2.31 -0.27 1.24 -0.85 -1.10 -4.44 117.35 110.97 3iu4 s TYR 145 Ca 0.03 -0.61 -0.25 0.00 -0.52 0.00 0.00 57.07 55.72 3iu4 s TYR 145 Cb -0.00 -1.41 0.10 0.00 0.38 0.00 0.00 41.96 41.02 3iu4 s TYR 145 CO 0.54 0.45 0.91 0.12 -1.52 0.00 0.00 175.55 176.06 3iu4 s PHE 146 N -2.76 -0.59 0.14 -3.49 5.36 -0.02 -0.32 117.98 116.31 3iu4 s PHE 146 Ca 0.33 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.69 3iu4 s PHE 146 Cb 0.05 0.33 0.03 0.00 -0.34 0.00 0.00 43.02 43.09 3iu4 s PHE 146 CO 0.16 -0.29 0.20 -0.35 -1.46 0.00 0.00 175.22 173.47 3iu4 n PRO 147 N 2.32 0.02 -1.32 10.12 -0.04 -1.26 -0.12 135.00 144.71 3iu4 n PRO 147 Ca -0.13 -0.36 -0.30 0.00 -0.04 0.00 0.00 63.50 62.66 3iu4 n PRO 147 Cb 0.56 -0.18 0.11 0.00 -0.04 0.00 0.00 33.50 33.94 3iu4 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3iu4 s GLU 148 N -3.26 1.85 0.45 0.54 2.02 -1.26 -4.79 118.70 114.24 3iu4 s GLU 148 Ca 0.12 0.90 0.07 0.00 0.02 0.00 0.00 54.97 56.07 3iu4 s GLU 148 Cb -0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 3iu4 s GLU 148 CO 0.08 -1.85 0.34 -1.25 0.02 0.00 0.00 175.26 172.60 3iu4 s PRO 149 N -4.98 2.39 0.27 0.39 0.04 -1.26 -4.91 135.00 126.94 3iu4 s PRO 149 Ca 0.62 -1.72 0.10 0.00 0.04 0.00 0.00 61.00 60.04 3iu4 s PRO 149 Cb -0.17 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3iu4 s PRO 149 CO 0.56 -0.28 -0.06 0.14 0.04 0.00 0.00 177.00 177.41 3iu4 s VAL 150 N -2.57 3.19 0.22 -0.36 -7.23 -1.26 -4.39 120.40 107.99 3iu4 s VAL 150 Ca 0.44 -2.04 0.11 0.00 -1.81 0.00 0.00 61.98 58.68 3iu4 s VAL 150 Cb -0.01 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 3iu4 s VAL 150 CO 0.25 -0.38 -0.19 0.42 -0.31 0.00 0.00 175.10 174.89 3iu4 s THR 151 N -2.36 2.60 -0.03 5.32 -4.23 -0.28 -4.97 115.64 111.69 3iu4 s THR 151 Ca 0.31 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3iu4 s THR 151 Cb -0.06 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3iu4 s THR 151 CO 0.19 -0.20 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.37 3iu4 s VAL 152 N -1.91 0.20 0.32 2.29 1.01 -1.26 -1.39 120.40 119.65 3iu4 s VAL 152 Ca 0.24 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3iu4 s VAL 152 Cb -0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 3iu4 s VAL 152 CO 0.13 0.14 0.01 -0.94 0.00 0.00 0.00 175.10 174.43 3iu4 s SER 153 N 0.87 2.75 -0.07 3.32 1.04 -0.65 -4.95 113.70 116.01 3iu4 s SER 153 Ca -0.09 -1.31 0.05 0.00 0.48 0.00 0.00 55.95 55.08 3iu4 s SER 153 Cb -0.12 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.83 3iu4 s SER 153 CO -0.01 -0.48 -0.24 0.26 0.98 0.00 0.00 173.24 173.75 3iu4 s TRP 154 N -3.10 2.41 -1.35 5.02 0.52 -1.26 0.16 118.94 121.34 3iu4 s TRP 154 Ca 0.34 -0.84 -0.03 0.00 0.02 0.00 0.00 56.10 55.59 3iu4 s TRP 154 Cb 0.07 -1.60 0.02 0.00 -1.15 0.00 0.00 33.47 30.81 3iu4 s TRP 154 CO 0.15 -0.30 0.77 0.09 0.02 0.00 0.00 176.95 177.68 3iu4 n ASN 155 N 3.23 -2.03 -2.44 2.95 3.02 0.09 -1.25 115.26 118.84 3iu4 n ASN 155 Ca -0.18 -0.80 -0.09 0.00 -0.03 0.00 0.00 54.58 53.48 3iu4 n ASN 155 Cb 0.52 -4.07 -0.00 0.00 -0.61 0.00 0.00 39.78 35.62 3iu4 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3iu4 n SER 156 N -3.01 -3.05 0.00 6.41 7.64 -1.26 -0.71 113.62 119.63 3iu4 n SER 156 Ca -0.22 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3iu4 n SER 156 Cb 0.64 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.20 3iu4 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu4 n GLY 157 N -0.71 1.47 0.35 0.23 0.00 -0.38 -4.92 105.19 101.22 3iu4 n GLY 157 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.92 3iu4 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu4 h ALA 158 N 0.00 1.47 -2.75 4.61 0.00 -0.88 -3.40 119.26 118.31 3iu4 h ALA 158 Ca 0.00 -0.05 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 3iu4 h ALA 158 Cb 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 17.79 17.30 3iu4 h ALA 158 CO 0.00 0.48 -0.50 -1.17 0.00 0.00 0.00 179.25 178.07 3iu4 s LEU 159 N -9.81 4.43 0.00 0.00 0.20 -1.02 -4.85 118.68 107.62 3iu4 s LEU 159 Ca -0.11 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.25 3iu4 s LEU 159 Cb 0.18 -2.10 0.00 0.00 -0.43 0.00 0.00 46.19 43.83 3iu4 s LEU 159 CO 0.78 -0.23 0.00 0.35 -0.29 0.00 0.00 176.35 176.96 3iu4 n THR 160 N 5.07 0.00 -2.55 3.68 -2.24 -1.26 -4.09 114.28 112.89 3iu4 n THR 160 Ca -0.13 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3iu4 n THR 160 Cb 0.49 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 3iu4 n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iu4 s SER 161 N -1.16 7.34 -0.38 3.42 0.15 -1.26 -2.70 113.70 119.11 3iu4 s SER 161 Ca 0.00 2.11 0.00 0.00 0.70 0.00 0.00 55.95 58.76 3iu4 s SER 161 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3iu4 s SER 161 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3iu4 n GLY 162 N 1.67 0.45 3.75 9.45 0.00 -1.26 -4.77 105.19 114.47 3iu4 n GLY 162 Ca 0.01 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3iu4 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu4 s VAL 163 N -1.54 3.91 -0.13 1.61 1.01 -1.10 -2.99 120.40 121.18 3iu4 s VAL 163 Ca 0.00 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.73 3iu4 s VAL 163 Cb 0.00 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.29 3iu4 s VAL 163 CO 0.00 0.36 0.02 -1.00 0.00 0.00 0.00 175.10 174.48 3iu4 s HIS 164 N -0.69 0.82 -0.27 5.22 3.76 0.43 -4.99 115.29 119.57 3iu4 s HIS 164 Ca 0.46 -0.47 -0.09 0.00 -0.15 0.00 0.00 55.06 54.81 3iu4 s HIS 164 Cb -0.28 -0.90 -0.03 0.00 1.11 0.00 0.00 32.58 32.47 3iu4 s HIS 164 CO 0.35 -0.46 0.11 0.99 -0.85 0.00 0.00 174.74 174.89 3iu4 s THR 165 N 1.93 4.61 0.53 1.30 2.01 -1.26 -0.84 115.64 123.92 3iu4 s THR 165 Ca 0.02 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 3iu4 s THR 165 Cb -0.14 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 3iu4 s THR 165 CO -0.07 0.27 0.91 -0.36 -0.69 0.00 0.00 174.62 174.68 3iu4 s PHE 166 N 1.65 3.56 0.42 4.92 0.08 -0.32 -5.00 117.98 123.30 3iu4 s PHE 166 Ca 0.06 1.12 -0.26 0.00 0.12 0.00 0.00 56.93 57.97 3iu4 s PHE 166 Cb -0.16 -2.55 -0.09 0.00 -0.57 0.00 0.00 43.02 39.65 3iu4 s PHE 166 CO 0.06 -0.43 1.43 -2.14 -0.10 0.00 0.00 175.22 174.04 3iu4 s PRO 167 N -4.71 3.86 0.76 0.24 0.02 -1.26 -4.58 135.00 129.34 3iu4 s PRO 167 Ca 0.52 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.88 3iu4 s PRO 167 Cb -0.11 -2.78 0.05 0.00 0.02 0.00 0.00 34.50 31.69 3iu4 s PRO 167 CO 0.45 -0.68 1.09 0.00 -0.33 0.00 0.00 177.00 177.53 3iu4 s ALA 168 N -1.18 2.29 -0.00 -1.55 0.00 -1.26 -4.80 121.76 115.26 3iu4 s ALA 168 Ca 0.58 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.89 3iu4 s ALA 168 Cb -0.44 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 3iu4 s ALA 168 CO 0.58 -1.71 -0.22 0.14 0.00 0.00 0.00 175.76 174.55 3iu4 s VAL 169 N -2.87 1.77 -0.17 0.00 -7.23 -0.19 -4.93 120.40 106.78 3iu4 s VAL 169 Ca 0.61 -1.03 -0.22 0.00 -1.81 0.00 0.00 61.98 59.54 3iu4 s VAL 169 Cb -0.17 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 3iu4 s VAL 169 CO 0.55 0.44 0.68 -0.22 -0.31 0.00 0.00 175.10 176.24 3iu4 s LEU 170 N -0.68 4.18 0.68 1.32 2.96 -1.26 -1.18 118.68 124.70 3iu4 s LEU 170 Ca 0.09 0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3iu4 s LEU 170 Cb -0.09 -2.99 0.05 0.00 0.50 0.00 0.00 46.19 43.67 3iu4 s LEU 170 CO -0.00 -0.26 0.99 -1.10 -1.32 0.00 0.00 176.35 174.65 3iu4 s GLN 171 N 1.73 2.30 0.60 1.98 -0.21 -0.11 -4.95 119.66 121.01 3iu4 s GLN 171 Ca 0.32 -0.24 0.35 0.00 0.02 0.00 0.00 55.36 55.81 3iu4 s GLN 171 Cb -0.16 -2.19 1.93 0.00 1.00 0.00 0.00 33.01 33.59 3iu4 s GLN 171 CO 0.12 -1.15 2.24 0.66 -2.12 0.00 0.00 175.29 175.04 3iu4 h SER 172 N -0.52 0.00 0.45 5.90 4.64 -1.97 0.73 113.55 122.78 3iu4 h SER 172 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3iu4 h SER 172 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3iu4 h SER 172 CO 0.60 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 3iu4 n SER 173 N -3.48 0.33 0.00 4.97 3.41 -1.26 -4.87 113.62 112.72 3iu4 n SER 173 Ca -0.02 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3iu4 n SER 173 Cb 0.13 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3iu4 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iu4 n GLY 174 N -0.38 0.70 3.49 5.00 0.00 0.25 -5.06 105.19 109.19 3iu4 n GLY 174 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3iu4 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu4 s LEU 175 N 0.00 2.72 0.43 0.99 1.43 -1.26 -4.88 118.68 118.10 3iu4 s LEU 175 Ca 0.00 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3iu4 s LEU 175 Cb 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3iu4 s LEU 175 CO 0.00 0.22 0.72 -0.31 0.23 0.00 0.00 176.35 177.21 3iu4 s TYR 176 N -1.03 3.53 -0.04 0.29 2.02 0.56 -0.94 117.35 121.74 3iu4 s TYR 176 Ca 0.17 0.76 -0.03 0.00 -0.37 0.00 0.00 57.07 57.59 3iu4 s TYR 176 Cb -0.11 -2.24 0.01 0.00 -0.40 0.00 0.00 41.96 39.22 3iu4 s TYR 176 CO 0.08 -0.13 0.10 0.45 -1.57 0.00 0.00 175.55 174.47 3iu4 s SER 177 N -3.83 -0.09 -0.01 2.29 0.15 -0.33 -0.29 113.70 111.59 3iu4 s SER 177 Ca 0.46 0.18 -0.12 0.00 0.70 0.00 0.00 55.95 57.17 3iu4 s SER 177 Cb -0.10 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 3iu4 s SER 177 CO 0.39 -0.04 0.25 -0.22 1.20 0.00 0.00 173.24 174.82 3iu4 s LEU 178 N 0.01 1.08 0.14 3.45 0.20 -0.06 -1.03 118.68 122.47 3iu4 s LEU 178 Ca -0.00 0.01 0.10 0.00 0.69 0.00 0.00 54.13 54.93 3iu4 s LEU 178 Cb -0.01 1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 46.77 3iu4 s LEU 178 CO 0.00 -0.41 -0.23 -0.94 -0.29 0.00 0.00 176.35 174.49 3iu4 s SER 179 N -1.27 2.95 -0.07 3.68 1.04 -1.26 0.09 113.70 118.85 3iu4 s SER 179 Ca -0.13 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.55 3iu4 s SER 179 Cb -0.06 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.88 3iu4 s SER 179 CO 0.03 0.08 -0.16 -0.55 0.98 0.00 0.00 173.24 173.62 3iu4 s SER 180 N -2.25 2.22 0.32 7.02 0.15 -0.17 -1.17 113.70 119.82 3iu4 s SER 180 Ca 0.13 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.44 3iu4 s SER 180 Cb -0.09 -0.98 -0.06 0.00 -1.71 0.00 0.00 66.02 63.18 3iu4 s SER 180 CO 0.06 0.09 0.03 0.68 1.20 0.00 0.00 173.24 175.30 3iu4 s VAL 181 N 0.50 1.34 -0.17 4.45 -7.23 -0.02 -0.66 120.40 118.61 3iu4 s VAL 181 Ca -0.15 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 57.80 3iu4 s VAL 181 Cb -0.16 -2.73 0.05 0.00 0.56 0.00 0.00 36.38 34.11 3iu4 s VAL 181 CO 0.05 -0.08 0.54 0.54 -0.31 0.00 0.00 175.10 175.85 3iu4 s VAL 182 N -3.19 0.01 -0.10 1.32 0.11 0.54 -0.43 120.40 118.65 3iu4 s VAL 182 Ca 0.35 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 59.27 3iu4 s VAL 182 Cb 0.08 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3iu4 s VAL 182 CO 0.15 -0.02 0.18 0.42 -3.33 0.00 0.00 175.10 172.49 3iu4 s THR 183 N -0.04 5.44 0.13 5.04 -4.23 -1.16 -1.25 115.64 119.57 3iu4 s THR 183 Ca -0.03 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.72 3iu4 s THR 183 Cb -0.04 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 3iu4 s THR 183 CO 0.02 0.61 0.14 0.68 -0.54 0.00 0.00 174.62 175.53 3iu4 s VAL 184 N -1.05 0.10 0.08 2.29 -7.23 0.33 -4.78 120.40 110.15 3iu4 s VAL 184 Ca 0.17 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 58.38 3iu4 s VAL 184 Cb -0.13 -1.86 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 3iu4 s VAL 184 CO 0.06 -0.47 1.41 -2.84 -0.31 0.00 0.00 175.10 172.94 3iu4 s PRO 185 N -3.99 4.30 0.29 4.82 0.02 -1.26 -0.48 135.00 138.70 3iu4 s PRO 185 Ca 0.18 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.27 3iu4 s PRO 185 Cb 0.06 -3.37 0.70 0.00 0.02 0.00 0.00 34.50 31.91 3iu4 s PRO 185 CO -0.01 -0.49 1.45 0.43 -0.33 0.00 0.00 177.00 178.05 3iu4 n SER 186 N 4.47 -0.11 0.00 2.53 7.64 -0.77 -0.26 113.62 127.12 3iu4 n SER 186 Ca 0.12 1.57 0.22 0.00 1.01 0.00 0.00 58.87 61.80 3iu4 n SER 186 Cb 0.43 -0.57 0.73 0.00 -1.01 0.00 0.00 64.21 63.78 3iu4 n SER 186 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3iu4 h SER 187 N 0.00 0.00 1.18 6.43 4.64 -1.90 -1.03 113.55 122.87 3iu4 h SER 187 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3iu4 h SER 187 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3iu4 h SER 187 CO -0.87 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 173.55 3iu4 n SER 188 N -4.04 0.67 -0.11 4.97 3.41 0.64 -4.28 113.62 114.88 3iu4 n SER 188 Ca 0.11 0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 59.21 3iu4 n SER 188 Cb 0.69 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3iu4 n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iu4 h LEU 189 N 0.00 0.48 -1.07 1.04 3.38 -1.30 4.49 115.31 122.32 3iu4 h LEU 189 Ca 0.00 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3iu4 h LEU 189 Cb 0.59 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3iu4 h LEU 189 CO 0.00 0.52 0.62 1.23 0.09 0.00 0.00 178.44 180.90 3iu4 h GLY 190 N 0.41 1.41 0.00 0.83 0.00 -1.78 -3.38 103.07 100.56 3iu4 h GLY 190 Ca 0.12 -0.46 -0.39 0.00 0.00 0.00 0.00 47.33 46.59 3iu4 h GLY 190 CO -0.01 0.36 -2.35 -1.30 0.00 0.00 0.00 176.54 173.24 3iu4 n THR 191 N -4.47 1.33 -2.31 4.70 -2.24 -0.13 -4.94 114.28 106.21 3iu4 n THR 191 Ca 0.14 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3iu4 n THR 191 Cb 0.15 -1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 66.66 3iu4 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3iu4 s GLN 192 N -2.45 4.39 0.02 -0.78 2.00 1.46 -5.03 119.66 119.26 3iu4 s GLN 192 Ca -0.33 1.90 -0.22 0.00 -2.00 0.00 0.00 55.36 54.71 3iu4 s GLN 192 Cb 0.12 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 30.57 3iu4 s GLN 192 CO 0.45 -0.33 0.64 0.99 -0.50 0.00 0.00 175.29 176.55 3iu4 s THR 193 N 1.03 4.84 -0.12 -0.34 2.01 -1.26 -4.72 115.64 117.08 3iu4 s THR 193 Ca 0.61 1.36 0.01 0.00 0.31 0.00 0.00 61.69 63.98 3iu4 s THR 193 Cb -0.33 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.22 3iu4 s THR 193 CO 0.30 0.41 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.20 3iu4 s TYR 194 N -0.21 1.89 -0.08 4.92 2.02 -1.26 -4.95 117.35 119.68 3iu4 s TYR 194 Ca 0.33 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 56.08 3iu4 s TYR 194 Cb -0.19 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 39.98 3iu4 s TYR 194 CO 0.19 -0.54 -0.08 0.42 -1.57 0.00 0.00 175.55 173.98 3iu4 s ILE 195 N 1.30 0.89 -0.07 2.71 1.01 -1.26 -0.57 121.20 125.22 3iu4 s ILE 195 Ca -0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 3iu4 s ILE 195 Cb -0.14 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 3iu4 s ILE 195 CO -0.06 0.33 0.48 0.00 0.00 0.00 0.00 174.94 175.68 3iu4 s ASN 197 N 0.05 5.33 -0.13 0.00 -0.87 0.12 -1.07 114.94 118.37 3iu4 s ASN 197 Ca 0.26 -0.52 -0.02 0.00 -1.57 0.00 0.00 52.86 51.02 3iu4 s ASN 197 Cb -0.16 -1.95 -0.02 0.00 -0.02 0.00 0.00 41.25 39.10 3iu4 s ASN 197 CO 0.12 -0.16 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.72 3iu4 s VAL 198 N 1.58 3.52 -0.08 1.60 1.01 0.17 -1.63 120.40 126.57 3iu4 s VAL 198 Ca 0.04 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3iu4 s VAL 198 Cb -0.17 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.71 3iu4 s VAL 198 CO 0.05 0.52 -0.18 0.21 0.00 0.00 0.00 175.10 175.69 3iu4 s ASN 199 N 0.21 2.39 -0.48 3.32 2.47 -0.49 -1.11 114.94 121.26 3iu4 s ASN 199 Ca -0.05 -0.42 0.04 0.00 0.42 0.00 0.00 52.86 52.85 3iu4 s ASN 199 Cb -0.14 -1.04 0.13 0.00 -1.45 0.00 0.00 41.25 38.74 3iu4 s ASN 199 CO 0.04 0.10 0.23 -2.28 -3.72 0.00 0.00 177.10 171.47 3iu4 s HIS 200 N 0.45 2.96 0.30 0.43 5.65 0.44 -1.13 115.29 124.39 3iu4 s HIS 200 Ca -0.15 -2.98 -0.00 0.00 0.25 0.00 0.00 55.06 52.17 3iu4 s HIS 200 Cb -0.16 -2.62 0.46 0.00 -1.18 0.00 0.00 32.58 29.08 3iu4 s HIS 200 CO 0.06 -0.77 1.87 0.87 -0.65 0.00 0.00 174.74 176.12 3iu4 h LYS 201 N 6.67 0.81 -0.45 2.88 1.57 -1.80 -1.39 116.57 124.87 3iu4 h LYS 201 Ca -0.06 -0.14 0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3iu4 h LYS 201 Cb 0.91 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3iu4 h LYS 201 CO 0.63 0.69 0.33 -1.35 -0.57 0.00 0.00 179.45 179.18 3iu4 h PRO 202 N 0.80 0.00 -0.44 3.15 0.11 -1.89 0.22 132.00 133.94 3iu4 h PRO 202 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3iu4 h PRO 202 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3iu4 h PRO 202 CO -0.01 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.65 3iu4 n SER 203 N -4.33 3.25 -4.07 -2.05 3.41 -0.87 -4.93 113.62 104.03 3iu4 n SER 203 Ca 0.08 -2.05 -0.32 0.00 -0.26 0.00 0.00 58.87 56.32 3iu4 n SER 203 Cb 0.54 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3iu4 n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iu4 n ASN 204 N 0.76 -1.19 -4.24 4.04 5.03 0.78 -4.94 115.26 115.49 3iu4 n ASN 204 Ca 0.15 -1.15 -0.30 0.00 0.87 0.00 0.00 54.58 54.15 3iu4 n ASN 204 Cb 0.50 -2.35 -0.16 0.00 -1.02 0.00 0.00 39.78 36.75 3iu4 n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3iu4 s THR 205 N -3.97 1.92 -0.01 3.41 2.01 -0.58 -5.00 115.64 113.42 3iu4 s THR 205 Ca 0.15 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3iu4 s THR 205 Cb -0.07 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3iu4 s THR 205 CO 0.94 0.54 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.81 3iu4 s LYS 206 N -0.15 0.60 -0.09 4.92 1.02 -1.26 -0.42 119.74 124.36 3iu4 s LYS 206 Ca -0.03 -0.20 -0.04 0.00 0.02 0.00 0.00 55.97 55.71 3iu4 s LYS 206 Cb -0.13 -0.59 0.05 0.00 -0.52 0.00 0.00 37.83 36.64 3iu4 s LYS 206 CO 0.03 0.09 0.21 0.08 -0.92 0.00 0.00 175.35 174.84 3iu4 s VAL 207 N 0.09 -0.08 0.02 3.17 1.01 -0.26 -5.00 120.40 119.34 3iu4 s VAL 207 Ca -0.01 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3iu4 s VAL 207 Cb -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3iu4 s VAL 207 CO -0.00 0.07 0.03 -1.81 0.00 0.00 0.00 175.10 173.39 3iu4 s ASP 208 N 1.37 5.27 -0.10 3.32 1.01 -1.26 0.42 116.67 126.70 3iu4 s ASP 208 Ca -0.08 0.01 -0.03 0.00 0.71 0.00 0.00 52.55 53.16 3iu4 s ASP 208 Cb -0.11 -1.40 0.04 0.00 1.01 0.00 0.00 42.92 42.46 3iu4 s ASP 208 CO -0.08 0.25 0.06 -0.75 0.21 0.00 0.00 175.17 174.87 3iu4 s LYS 209 N -1.77 0.11 0.01 8.23 2.47 -0.23 -4.96 119.74 123.60 3iu4 s LYS 209 Ca 0.22 0.12 -0.30 0.00 -1.56 0.00 0.00 55.97 54.45 3iu4 s LYS 209 Cb -0.12 -1.16 -0.06 0.00 -1.46 0.00 0.00 37.83 35.03 3iu4 s LYS 209 CO 0.13 -0.47 1.44 0.21 0.16 0.00 0.00 175.35 176.82 3iu4 s LYS 210 N 2.11 4.27 -0.25 4.03 2.20 -1.26 -0.89 119.74 129.95 3iu4 s LYS 210 Ca 0.03 2.03 -0.04 0.00 -0.36 0.00 0.00 55.97 57.63 3iu4 s LYS 210 Cb -0.14 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3iu4 s LYS 210 CO -0.06 -0.60 -0.02 0.08 -0.36 0.00 0.00 175.35 174.39 3iu4 s VAL 211 N 2.44 3.34 0.13 4.02 1.01 0.27 -4.93 120.40 126.68 3iu4 s VAL 211 Ca 0.65 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3iu4 s VAL 211 Cb -0.33 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3iu4 s VAL 211 CO 0.27 0.27 -0.16 -1.61 0.00 0.00 0.00 175.10 173.87 3iu4 s GLU 212 N 1.43 1.10 0.27 2.72 2.02 -1.26 -4.44 118.70 120.55 3iu4 s GLU 212 Ca 0.03 -1.27 -0.30 0.00 0.02 0.00 0.00 54.97 53.46 3iu4 s GLU 212 Cb -0.16 -1.09 -0.13 0.00 0.10 0.00 0.00 34.13 32.85 3iu4 s GLU 212 CO -0.02 0.22 1.31 -2.30 0.02 0.00 0.00 175.26 174.49 3iu4 n PRO 213 N 0.57 1.94 0.00 0.39 -0.02 -1.26 -4.40 135.00 132.21 3iu4 n PRO 213 Ca -0.16 0.68 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3iu4 n PRO 213 Cb 0.56 -2.28 0.49 0.00 -0.02 0.00 0.00 33.50 32.26 3iu4 n PRO 213 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48