#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu4 s ILE 2 N 0.00 4.62 -0.15 0.53 1.01 -1.26 -5.01 121.20 120.95 3iu4 s ILE 2 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 3iu4 s ILE 2 Cb 0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3iu4 s ILE 2 CO 0.00 0.58 0.15 -0.69 0.00 0.00 0.00 174.94 174.98 3iu4 s VAL 3 N -0.64 5.45 -0.16 2.92 1.01 -1.26 -4.78 120.40 122.94 3iu4 s VAL 3 Ca 0.11 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3iu4 s VAL 3 Cb -0.12 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3iu4 s VAL 3 CO 0.02 0.54 -0.06 -0.04 0.00 0.00 0.00 175.10 175.57 3iu4 s MET 4 N -0.43 3.59 -0.18 2.72 -1.94 -1.26 -1.36 119.30 120.43 3iu4 s MET 4 Ca 0.13 -0.56 -0.00 0.00 -1.71 0.00 0.00 55.69 53.54 3iu4 s MET 4 Cb -0.12 -2.87 0.01 0.00 2.01 0.00 0.00 34.83 33.87 3iu4 s MET 4 CO 0.02 0.19 -0.16 0.99 -0.01 0.00 0.00 175.02 176.05 3iu4 s THR 5 N 0.47 2.43 -0.19 2.05 2.01 0.41 -4.15 115.64 118.67 3iu4 s THR 5 Ca -0.05 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 3iu4 s THR 5 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 3iu4 s THR 5 CO 0.03 0.51 0.20 -1.10 -0.69 0.00 0.00 174.62 173.58 3iu4 s GLN 6 N 1.22 4.21 0.49 4.92 -0.21 -1.26 -0.54 119.66 128.49 3iu4 s GLN 6 Ca 0.03 -0.09 0.28 0.00 0.02 0.00 0.00 55.36 55.60 3iu4 s GLN 6 Cb -0.14 -3.43 1.07 0.00 1.00 0.00 0.00 33.01 31.51 3iu4 s GLN 6 CO -0.08 0.25 1.88 0.66 -2.12 0.00 0.00 175.29 175.88 3iu4 h SER 7 N 6.74 0.00 -3.94 5.90 4.64 -1.95 -3.43 113.55 121.50 3iu4 h SER 7 Ca -0.41 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.44 3iu4 h SER 7 Cb 1.16 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.94 3iu4 h SER 7 CO 0.75 0.12 -0.81 -1.00 -0.87 0.00 0.00 176.83 175.03 3iu4 s HIS 8 N -3.64 1.21 -0.55 4.77 3.76 -1.26 -4.99 115.29 114.60 3iu4 s HIS 8 Ca 0.01 -0.30 0.25 0.00 -0.15 0.00 0.00 55.06 54.88 3iu4 s HIS 8 Cb 0.09 -0.83 0.68 0.00 1.11 0.00 0.00 32.58 33.64 3iu4 s HIS 8 CO 0.60 -0.09 1.72 0.87 -0.85 0.00 0.00 174.74 176.99 3iu4 h LYS 9 N 6.19 0.00 -4.22 1.40 1.57 -1.84 -3.38 116.57 116.29 3iu4 h LYS 9 Ca -0.33 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.24 3iu4 h LYS 9 Cb 1.17 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.27 3iu4 h LYS 9 CO 0.49 0.00 -0.71 -0.06 -0.57 0.00 0.00 179.45 178.59 3iu4 s PHE 10 N -3.20 0.43 -0.22 -1.35 0.08 -1.26 -0.40 117.98 112.07 3iu4 s PHE 10 Ca 0.08 -0.54 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 3iu4 s PHE 10 Cb 0.09 -0.28 0.11 0.00 -0.57 0.00 0.00 43.02 42.37 3iu4 s PHE 10 CO 0.61 -0.15 0.29 -1.64 -0.10 0.00 0.00 175.22 174.23 3iu4 s MET 11 N -1.61 0.26 0.16 0.44 -1.94 0.25 -4.85 119.30 112.01 3iu4 s MET 11 Ca -0.13 0.38 -0.26 0.00 -1.71 0.00 0.00 55.69 53.98 3iu4 s MET 11 Cb -0.09 -0.82 -0.08 0.00 2.01 0.00 0.00 34.83 35.85 3iu4 s MET 11 CO -0.01 -0.63 0.80 0.45 -0.01 0.00 0.00 175.02 175.62 3iu4 s SER 12 N 2.43 7.41 0.03 3.03 0.15 -1.26 -1.96 113.70 123.53 3iu4 s SER 12 Ca 0.09 1.66 -0.01 0.00 0.70 0.00 0.00 55.95 58.40 3iu4 s SER 12 Cb -0.15 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 3iu4 s SER 12 CO -0.14 0.18 0.06 1.07 1.20 0.00 0.00 173.24 175.61 3iu4 n THR 13 N 1.71 0.00 -4.03 6.45 5.66 -0.74 -4.93 114.28 118.40 3iu4 n THR 13 Ca -0.05 -0.12 -0.08 0.00 -3.05 0.00 0.00 64.05 60.76 3iu4 n THR 13 Cb 0.49 0.09 -0.10 0.00 -1.55 0.00 0.00 70.33 69.26 3iu4 n THR 13 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3iu4 s SER 14 N -1.18 0.39 0.35 1.09 0.01 -1.26 0.39 113.70 113.48 3iu4 s SER 14 Ca 0.02 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 3iu4 s SER 14 Cb -0.00 0.21 -0.11 0.00 0.21 0.00 0.00 66.02 66.33 3iu4 s SER 14 CO 0.01 -0.58 1.49 -0.69 0.41 0.00 0.00 173.24 173.88 3iu4 s VAL 15 N -3.56 2.14 0.00 3.43 1.01 -1.26 -1.90 120.40 120.26 3iu4 s VAL 15 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3iu4 s VAL 15 Cb 0.05 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3iu4 s VAL 15 CO -0.09 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3iu4 n GLY 16 N 0.92 1.55 3.89 4.51 0.00 0.11 -4.91 105.19 111.26 3iu4 n GLY 16 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3iu4 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iu4 s ASP 17 N -3.18 5.66 0.09 1.61 1.01 -0.80 -4.45 116.67 116.61 3iu4 s ASP 17 Ca 0.00 1.12 -0.18 0.00 0.71 0.00 0.00 52.55 54.21 3iu4 s ASP 17 Cb 0.00 -2.02 -0.07 0.00 1.01 0.00 0.00 42.92 41.84 3iu4 s ASP 17 CO 0.00 -1.17 0.56 -0.60 0.21 0.00 0.00 175.17 174.16 3iu4 s ARG 18 N -5.25 4.12 0.01 8.23 3.52 -1.25 -0.64 118.95 127.69 3iu4 s ARG 18 Ca 0.56 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 3iu4 s ARG 18 Cb -0.11 -3.15 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 3iu4 s ARG 18 CO 0.51 0.60 -0.01 0.54 -0.81 0.00 0.00 175.30 176.12 3iu4 s VAL 19 N -1.21 0.06 0.01 7.11 0.11 -0.52 -4.99 120.40 120.97 3iu4 s VAL 19 Ca 0.31 -0.29 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 3iu4 s VAL 19 Cb -0.18 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 3iu4 s VAL 19 CO 0.19 -0.15 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.17 3iu4 s SER 20 N -0.46 2.29 -0.08 3.54 0.01 -1.26 -1.35 113.70 116.38 3iu4 s SER 20 Ca -0.05 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.84 3iu4 s SER 20 Cb -0.03 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.98 3iu4 s SER 20 CO -0.00 0.20 -0.19 -0.63 0.41 0.00 0.00 173.24 173.03 3iu4 s ILE 21 N -0.59 1.65 0.06 1.44 1.01 0.11 -4.97 121.20 119.91 3iu4 s ILE 21 Ca 0.07 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3iu4 s ILE 21 Cb -0.08 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3iu4 s ILE 21 CO 0.00 0.47 0.11 0.42 0.00 0.00 0.00 174.94 175.94 3iu4 s THR 22 N 0.38 4.76 -0.03 2.92 -4.23 -1.26 -0.76 115.64 117.41 3iu4 s THR 22 Ca -0.14 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3iu4 s THR 22 Cb -0.16 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.43 3iu4 s THR 22 CO 0.06 0.16 0.06 0.00 -0.54 0.00 0.00 174.62 174.36 3iu4 s LYS 24 N 1.33 3.15 0.20 0.00 1.02 0.30 -0.60 119.74 125.15 3iu4 s LYS 24 Ca -0.06 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 54.99 3iu4 s LYS 24 Cb -0.13 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 3iu4 s LYS 24 CO -0.04 0.14 0.57 0.00 -0.92 0.00 0.00 175.35 175.11 3iu4 s ALA 25 N 0.46 3.54 -0.94 5.17 0.00 0.46 -0.44 121.76 130.01 3iu4 s ALA 25 Ca -0.14 -0.17 0.27 0.00 0.00 0.00 0.00 51.96 51.93 3iu4 s ALA 25 Cb -0.17 -2.52 0.89 0.00 0.00 0.00 0.00 23.12 21.33 3iu4 s ALA 25 CO 0.06 0.46 1.71 -1.13 0.00 0.00 0.00 175.76 176.85 3iu4 n SER 26 N 0.28 0.30 -4.33 0.00 3.41 -0.47 -4.79 113.62 108.02 3iu4 n SER 26 Ca -0.02 0.25 -0.17 0.00 -0.26 0.00 0.00 58.87 58.67 3iu4 n SER 26 Cb 0.52 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 3iu4 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3iu4 s GLN 27 N -3.03 1.35 -0.06 4.33 -0.21 -1.26 -4.94 119.66 115.83 3iu4 s GLN 27 Ca 0.12 -1.69 -0.30 0.00 0.02 0.00 0.00 55.36 53.52 3iu4 s GLN 27 Cb 0.17 -0.59 -0.05 0.00 1.00 0.00 0.00 33.01 33.54 3iu4 s GLN 27 CO 0.61 -0.11 1.57 0.34 -2.12 0.00 0.00 175.29 175.57 3iu4 s ASP 28 N -3.31 6.73 -0.16 5.90 -1.08 -1.26 -4.62 116.67 118.87 3iu4 s ASP 28 Ca 0.29 2.15 0.16 0.00 -0.52 0.00 0.00 52.55 54.63 3iu4 s ASP 28 Cb 0.06 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.33 3iu4 s ASP 28 CO 0.09 -0.88 1.20 1.33 0.52 0.00 0.00 175.17 177.43 3iu4 n VAL 29 N 5.34 2.03 0.00 1.11 0.24 -0.07 -5.01 118.33 121.97 3iu4 n VAL 29 Ca 0.16 -2.53 0.00 0.00 -2.04 0.00 0.00 64.34 59.93 3iu4 n VAL 29 Cb 0.43 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3iu4 n VAL 29 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3iu4 n SER 30 N -1.28 0.00 -0.24 -1.34 2.88 -1.25 -1.42 113.62 110.97 3iu4 n SER 30 Ca 0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.81 3iu4 n SER 30 Cb 0.69 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.30 3iu4 n SER 30 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3iu4 n THR 31 N 0.00 1.89 -1.80 2.46 -2.24 -1.26 -0.70 114.28 112.62 3iu4 n THR 31 Ca 0.00 -2.07 -0.41 0.00 -2.27 0.00 0.00 64.05 59.30 3iu4 n THR 31 Cb 0.00 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.05 3iu4 n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iu4 n ALA 32 N -1.14 6.29 -3.03 6.98 0.00 -0.51 -1.95 120.51 127.14 3iu4 n ALA 32 Ca 0.16 -3.93 -0.25 0.00 0.00 0.00 0.00 53.44 49.42 3iu4 n ALA 32 Cb 0.66 -3.23 -0.16 0.00 0.00 0.00 0.00 19.45 16.72 3iu4 n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iu4 s VAL 33 N 1.48 1.28 0.18 0.00 1.01 -1.26 -0.85 120.40 122.24 3iu4 s VAL 33 Ca 0.53 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.96 3iu4 s VAL 33 Cb 0.15 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3iu4 s VAL 33 CO -0.06 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.42 3iu4 s ALA 34 N 0.18 3.21 -0.06 5.51 0.00 0.10 -0.27 121.76 130.43 3iu4 s ALA 34 Ca -0.06 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.55 3iu4 s ALA 34 Cb -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3iu4 s ALA 34 CO 0.02 0.47 -0.16 -1.58 0.00 0.00 0.00 175.76 174.51 3iu4 s TRP 35 N -1.77 1.70 0.18 0.00 0.52 -0.05 0.11 118.94 119.63 3iu4 s TRP 35 Ca 0.28 -0.56 0.11 0.00 0.02 0.00 0.00 56.10 55.95 3iu4 s TRP 35 Cb -0.09 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 3iu4 s TRP 35 CO 0.19 -0.23 -0.24 0.71 0.02 0.00 0.00 176.95 177.40 3iu4 s TYR 36 N 0.28 2.23 -0.15 -1.98 2.02 0.53 -0.87 117.35 119.41 3iu4 s TYR 36 Ca -0.09 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 3iu4 s TYR 36 Cb -0.14 -1.12 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 3iu4 s TYR 36 CO 0.03 0.45 -0.20 -1.14 -1.57 0.00 0.00 175.55 173.13 3iu4 s GLN 37 N -2.58 3.05 -0.29 -0.62 0.74 0.05 -0.81 119.66 119.19 3iu4 s GLN 37 Ca 0.19 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.79 3iu4 s GLN 37 Cb -0.08 -2.51 0.08 0.00 1.10 0.00 0.00 33.01 31.60 3iu4 s GLN 37 CO 0.09 -0.07 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.61 3iu4 s GLN 38 N 0.95 1.64 0.43 1.67 0.74 0.15 -0.55 119.66 124.70 3iu4 s GLN 38 Ca -0.03 -1.43 -0.15 0.00 0.05 0.00 0.00 55.36 53.80 3iu4 s GLN 38 Cb -0.15 -2.84 -0.08 0.00 1.10 0.00 0.00 33.01 31.05 3iu4 s GLN 38 CO -0.05 -0.76 0.86 0.15 -0.55 0.00 0.00 175.29 174.95 3iu4 s LYS 39 N 1.16 3.93 0.17 1.67 1.02 -1.26 -1.00 119.74 125.43 3iu4 s LYS 39 Ca 0.01 0.75 -0.33 0.00 0.02 0.00 0.00 55.97 56.42 3iu4 s LYS 39 Cb -0.19 -2.28 -0.14 0.00 -0.52 0.00 0.00 37.83 34.69 3iu4 s LYS 39 CO -0.09 -0.08 1.47 -2.30 -0.92 0.00 0.00 175.35 173.43 3iu4 n PRO 40 N -1.16 1.90 -0.98 -1.68 -0.02 -1.26 -1.55 135.00 130.25 3iu4 n PRO 40 Ca 0.05 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3iu4 n PRO 40 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3iu4 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu4 n GLY 41 N 2.82 0.65 3.49 -1.23 0.00 -1.26 -5.01 105.19 104.66 3iu4 n GLY 41 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3iu4 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iu4 s GLN 42 N -0.13 1.71 0.70 1.61 -0.21 -0.60 -5.14 119.66 117.60 3iu4 s GLN 42 Ca 0.00 -1.90 -0.11 0.00 0.02 0.00 0.00 55.36 53.36 3iu4 s GLN 42 Cb 0.00 -1.32 0.01 0.00 1.00 0.00 0.00 33.01 32.70 3iu4 s GLN 42 CO 0.00 0.00 1.07 -1.12 -2.12 0.00 0.00 175.29 173.13 3iu4 s SER 43 N -3.54 5.50 0.57 5.90 0.01 -1.26 -4.59 113.70 116.29 3iu4 s SER 43 Ca 0.32 1.32 -0.21 0.00 1.31 0.00 0.00 55.95 58.70 3iu4 s SER 43 Cb 0.05 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 3iu4 s SER 43 CO 0.15 -1.33 1.34 -2.84 0.41 0.00 0.00 173.24 170.97 3iu4 s PRO 44 N -5.22 3.00 -0.12 12.44 0.02 -1.26 -4.55 135.00 139.31 3iu4 s PRO 44 Ca 0.58 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.82 3iu4 s PRO 44 Cb -0.12 -2.16 -0.00 0.00 0.02 0.00 0.00 34.50 32.24 3iu4 s PRO 44 CO 0.53 -1.29 -0.20 0.21 -0.33 0.00 0.00 177.00 175.92 3iu4 s LYS 45 N -3.02 3.15 0.07 5.54 2.20 0.29 -4.94 119.74 123.03 3iu4 s LYS 45 Ca 0.74 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 55.23 3iu4 s LYS 45 Cb -0.40 -2.43 -0.06 0.00 -1.51 0.00 0.00 37.83 33.43 3iu4 s LYS 45 CO 0.46 0.15 1.28 -1.17 -0.36 0.00 0.00 175.35 175.71 3iu4 s LEU 46 N 0.43 4.36 -0.16 5.43 2.96 -1.26 -0.77 118.68 129.67 3iu4 s LEU 46 Ca -0.14 2.13 -0.04 0.00 -0.22 0.00 0.00 54.13 55.85 3iu4 s LEU 46 Cb -0.17 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 3iu4 s LEU 46 CO 0.06 -0.55 -0.18 0.18 -1.32 0.00 0.00 176.35 174.54 3iu4 n LEU 47 N 4.05 1.99 -4.02 -0.68 4.77 -0.05 -4.79 117.00 118.26 3iu4 n LEU 47 Ca 0.10 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.97 3iu4 n LEU 47 Cb 0.45 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 3iu4 n LEU 47 CO 0.57 0.53 -0.43 -0.63 -1.33 0.00 0.00 177.39 176.10 3iu4 s ILE 48 N -2.31 0.73 0.13 -0.08 -1.09 -1.03 -1.03 121.20 116.52 3iu4 s ILE 48 Ca -0.22 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 57.83 3iu4 s ILE 48 Cb 0.07 -0.61 -0.04 0.00 -1.58 0.00 0.00 42.46 40.30 3iu4 s ILE 48 CO 0.32 0.21 -0.03 -0.72 -1.23 0.00 0.00 174.94 173.48 3iu4 s TYR 49 N -0.17 1.02 -1.53 3.97 -0.85 0.20 -0.87 117.35 119.12 3iu4 s TYR 49 Ca 0.03 -0.97 -0.05 0.00 -0.52 0.00 0.00 57.07 55.57 3iu4 s TYR 49 Cb -0.04 -0.59 0.04 0.00 0.38 0.00 0.00 41.96 41.76 3iu4 s TYR 49 CO -0.00 -0.18 0.39 0.43 -1.52 0.00 0.00 175.55 174.66 3iu4 n SER 50 N -0.13 -0.62 0.00 -0.18 7.64 -1.05 -1.38 113.62 117.91 3iu4 n SER 50 Ca -0.10 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.69 3iu4 n SER 50 Cb 0.62 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 3iu4 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iu4 n ALA 51 N -4.43 0.00 -0.99 -0.43 0.00 0.63 -4.11 120.51 111.18 3iu4 n ALA 51 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3iu4 n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3iu4 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iu4 n SER 52 N 0.80 0.01 -4.65 0.00 3.41 -1.16 -3.04 113.62 108.98 3iu4 n SER 52 Ca 0.00 -1.00 -0.39 0.00 -0.26 0.00 0.00 58.87 57.22 3iu4 n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3iu4 n SER 52 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3iu4 s TYR 53 N -0.00 3.35 0.29 7.33 2.02 -0.48 -4.58 117.35 125.28 3iu4 s TYR 53 Ca 0.00 0.68 -0.29 0.00 -0.37 0.00 0.00 57.07 57.08 3iu4 s TYR 53 Cb 0.00 -2.63 -0.10 0.00 -0.40 0.00 0.00 41.96 38.84 3iu4 s TYR 53 CO 0.00 -0.11 1.24 1.03 -1.57 0.00 0.00 175.55 176.14 3iu4 s ARG 54 N 1.68 4.45 0.73 -0.62 0.52 -1.26 -0.63 118.95 123.82 3iu4 s ARG 54 Ca 0.21 2.05 -0.11 0.00 -0.52 0.00 0.00 55.73 57.37 3iu4 s ARG 54 Cb -0.15 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.21 3iu4 s ARG 54 CO 0.09 -0.08 1.07 -0.47 0.02 0.00 0.00 175.30 175.94 3iu4 s TYR 55 N -0.89 2.90 -0.12 -0.53 5.04 -0.20 -4.91 117.35 118.64 3iu4 s TYR 55 Ca 0.49 1.45 -0.38 0.00 -2.44 0.00 0.00 57.07 56.18 3iu4 s TYR 55 Cb -0.37 -2.96 -0.16 0.00 0.35 0.00 0.00 41.96 38.83 3iu4 s TYR 55 CO 0.46 -1.49 1.59 2.41 -1.34 0.00 0.00 175.55 177.19 3iu4 n THR 56 N -3.30 0.19 -0.16 4.34 -1.04 -1.26 -1.71 114.28 111.34 3iu4 n THR 56 Ca 0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3iu4 n THR 56 Cb 0.54 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 3iu4 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iu4 n GLY 57 N 3.54 1.22 3.71 3.41 0.00 -1.26 -5.02 105.19 110.79 3iu4 n GLY 57 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3iu4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu4 s VAL 58 N -2.65 4.09 0.56 1.61 1.01 -0.69 -4.98 120.40 119.34 3iu4 s VAL 58 Ca 0.00 1.48 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 3iu4 s VAL 58 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3iu4 s VAL 58 CO 0.00 0.08 1.08 -2.65 0.00 0.00 0.00 175.10 173.62 3iu4 n PRO 59 N 4.29 1.17 0.32 2.72 -0.02 -1.26 -4.88 135.00 137.33 3iu4 n PRO 59 Ca 0.10 0.44 0.21 0.00 -2.02 0.00 0.00 63.50 62.22 3iu4 n PRO 59 Cb 0.46 -2.27 1.07 0.00 -0.02 0.00 0.00 33.50 32.75 3iu4 n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iu4 h ASP 60 N 0.87 0.00 0.32 2.55 3.32 -2.01 -2.42 116.42 119.05 3iu4 h ASP 60 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3iu4 h ASP 60 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 3iu4 h ASP 60 CO 0.53 0.01 0.00 -2.11 -1.72 0.00 0.00 179.24 175.95 3iu4 n ARG 61 N -3.15 0.06 -3.61 3.56 1.85 -1.26 -4.59 116.66 109.52 3iu4 n ARG 61 Ca -0.02 0.42 -0.37 0.00 -1.00 0.00 0.00 57.85 56.88 3iu4 n ARG 61 Cb 0.13 -1.65 -0.09 0.00 -1.05 0.00 0.00 32.46 29.80 3iu4 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3iu4 s PHE 62 N -3.15 3.32 0.21 2.89 0.08 -0.91 -1.30 117.98 119.12 3iu4 s PHE 62 Ca 0.03 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.38 3iu4 s PHE 62 Cb 0.06 -2.32 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 3iu4 s PHE 62 CO 0.20 0.04 0.04 0.95 -0.10 0.00 0.00 175.22 176.35 3iu4 s THR 63 N 1.14 0.66 0.06 0.64 -4.23 -0.48 -4.91 115.64 108.53 3iu4 s THR 63 Ca 0.09 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 3iu4 s THR 63 Cb -0.14 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 3iu4 s THR 63 CO 0.05 -0.28 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.96 3iu4 s GLY 64 N -3.24 0.56 0.27 3.99 0.00 -1.26 -0.83 107.32 106.81 3iu4 s GLY 64 Ca 0.30 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 3iu4 s GLY 64 CO 0.08 -1.05 0.34 -1.35 0.00 0.00 0.00 173.10 171.12 3iu4 s SER 65 N -2.14 0.50 0.00 1.64 1.04 0.07 -4.18 113.70 110.63 3iu4 s SER 65 Ca -0.02 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.06 3iu4 s SER 65 Cb -0.04 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3iu4 s SER 65 CO -0.02 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3iu4 n GLY 66 N -0.43 2.97 3.42 7.32 0.00 -1.26 -1.62 105.19 115.59 3iu4 n GLY 66 Ca 0.02 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 3iu4 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iu4 s SER 67 N 0.00 -0.50 0.13 1.61 0.15 -1.24 -4.82 113.70 109.04 3iu4 s SER 67 Ca 0.00 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.00 3iu4 s SER 67 Cb 0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3iu4 s SER 67 CO 0.00 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.39 3iu4 n GLY 68 N 0.64 1.42 0.00 9.45 0.00 0.12 -3.73 105.19 113.09 3iu4 n GLY 68 Ca -0.19 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3iu4 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iu4 n THR 69 N 0.00 0.00 -3.88 2.61 -2.24 -1.26 -0.90 114.28 108.61 3iu4 n THR 69 Ca 0.00 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 3iu4 n THR 69 Cb 0.00 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 3iu4 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iu4 s ASP 70 N -1.52 4.63 0.12 3.42 1.11 -1.24 -0.41 116.67 122.79 3iu4 s ASP 70 Ca 0.00 -0.80 0.09 0.00 0.18 0.00 0.00 52.55 52.02 3iu4 s ASP 70 Cb 0.00 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 42.20 3iu4 s ASP 70 CO 0.00 -0.15 -0.22 -0.36 1.18 0.00 0.00 175.17 175.62 3iu4 s PHE 71 N 1.39 1.92 -0.02 4.23 0.08 0.24 -3.66 117.98 122.16 3iu4 s PHE 71 Ca 0.01 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3iu4 s PHE 71 Cb -0.17 -1.03 0.02 0.00 -0.57 0.00 0.00 43.02 41.27 3iu4 s PHE 71 CO -0.02 0.26 0.00 0.99 -0.10 0.00 0.00 175.22 176.35 3iu4 s THR 72 N -1.25 0.12 -0.08 0.64 2.01 -0.64 -0.65 115.64 115.78 3iu4 s THR 72 Ca 0.10 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 3iu4 s THR 72 Cb -0.09 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 3iu4 s THR 72 CO 0.05 0.11 -0.03 0.12 -0.69 0.00 0.00 174.62 174.18 3iu4 s PHE 73 N 0.78 3.05 -0.00 4.92 5.36 0.06 -0.75 117.98 131.39 3iu4 s PHE 73 Ca -0.07 0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.00 3iu4 s PHE 73 Cb -0.11 -1.76 -0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3iu4 s PHE 73 CO -0.02 0.38 -0.05 0.99 -1.46 0.00 0.00 175.22 175.06 3iu4 s THR 74 N -0.79 0.41 -0.22 0.12 2.01 -0.01 -0.71 115.64 116.45 3iu4 s THR 74 Ca 0.12 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 3iu4 s THR 74 Cb -0.11 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3iu4 s THR 74 CO 0.02 0.12 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.39 3iu4 s ILE 75 N -0.11 3.36 -0.11 1.82 1.01 -0.46 -1.38 121.20 125.34 3iu4 s ILE 75 Ca 0.02 -0.50 0.14 0.00 0.00 0.00 0.00 60.65 60.31 3iu4 s ILE 75 Cb -0.02 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3iu4 s ILE 75 CO -0.00 0.43 1.33 0.77 0.00 0.00 0.00 174.94 177.46 3iu4 h SER 76 N 8.05 0.00 -2.27 3.58 4.64 -1.48 -1.37 113.55 124.70 3iu4 h SER 76 Ca -0.41 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.56 3iu4 h SER 76 Cb 1.16 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.91 3iu4 h SER 76 CO 0.60 0.60 -0.65 -0.55 -0.87 0.00 0.00 176.83 175.96 3iu4 s SER 77 N -6.41 1.85 0.16 4.97 0.15 -1.25 -3.81 113.70 109.37 3iu4 s SER 77 Ca 0.03 -0.74 -0.31 0.00 0.70 0.00 0.00 55.95 55.62 3iu4 s SER 77 Cb 0.08 0.39 -0.11 0.00 -1.71 0.00 0.00 66.02 64.68 3iu4 s SER 77 CO 0.77 -0.39 1.73 -0.69 1.20 0.00 0.00 173.24 175.86 3iu4 s VAL 78 N 2.33 2.36 0.27 4.45 1.01 0.19 -4.68 120.40 126.33 3iu4 s VAL 78 Ca 0.09 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.25 3iu4 s VAL 78 Cb -0.14 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3iu4 s VAL 78 CO -0.31 0.01 0.37 -1.10 0.00 0.00 0.00 175.10 174.07 3iu4 s GLN 79 N 1.82 3.30 0.33 2.72 -1.52 -1.26 0.07 119.66 125.11 3iu4 s GLN 79 Ca 0.76 -0.86 0.01 0.00 -1.95 0.00 0.00 55.36 53.33 3iu4 s GLN 79 Cb -0.47 -2.83 0.56 0.00 -0.22 0.00 0.00 33.01 30.05 3iu4 s GLN 79 CO 0.33 0.33 1.94 0.00 -0.25 0.00 0.00 175.29 177.64 3iu4 h ALA 80 N 1.13 1.42 0.00 6.09 0.00 -1.90 -0.63 119.26 125.37 3iu4 h ALA 80 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3iu4 h ALA 80 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3iu4 h ALA 80 CO 0.59 0.46 0.00 -0.85 0.00 0.00 0.00 179.25 179.45 3iu4 n GLU 81 N -4.37 0.86 -0.05 0.00 0.00 -1.00 -3.29 120.64 112.80 3iu4 n GLU 81 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.32 3iu4 n GLU 81 Cb 0.12 -1.29 0.45 0.00 0.00 0.00 0.00 31.44 30.72 3iu4 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3iu4 n ASP 82 N -0.79 1.35 -4.67 -1.84 8.00 -0.25 -4.83 116.55 113.52 3iu4 n ASP 82 Ca 0.12 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.60 3iu4 n ASP 82 Cb 0.06 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 3iu4 n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3iu4 s LEU 83 N -1.66 4.41 -0.06 0.64 2.96 -1.21 -4.87 118.68 118.88 3iu4 s LEU 83 Ca 0.33 2.63 -0.31 0.00 -0.22 0.00 0.00 54.13 56.56 3iu4 s LEU 83 Cb 0.18 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.45 3iu4 s LEU 83 CO 0.27 -1.01 1.37 0.00 -1.32 0.00 0.00 176.35 175.66 3iu4 s ALA 84 N 3.83 -2.47 -0.24 5.97 0.00 -1.26 -4.71 121.76 122.89 3iu4 s ALA 84 Ca 0.84 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 3iu4 s ALA 84 Cb -0.42 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3iu4 s ALA 84 CO 0.38 -1.09 0.21 0.08 0.00 0.00 0.00 175.76 175.35 3iu4 s VAL 85 N -2.13 5.32 -0.16 0.00 1.01 -0.17 -1.54 120.40 122.73 3iu4 s VAL 85 Ca 0.19 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 3iu4 s VAL 85 Cb 0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3iu4 s VAL 85 CO -0.05 0.31 0.05 -0.31 0.00 0.00 0.00 175.10 175.10 3iu4 s TYR 86 N 1.23 3.25 -0.05 5.22 2.02 0.30 0.34 117.35 129.66 3iu4 s TYR 86 Ca 0.10 0.10 0.07 0.00 -0.37 0.00 0.00 57.07 56.96 3iu4 s TYR 86 Cb -0.14 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3iu4 s TYR 86 CO 0.06 0.24 -0.25 0.71 -1.57 0.00 0.00 175.55 174.74 3iu4 s TYR 87 N 0.05 2.42 0.41 2.71 2.02 0.01 -0.52 117.35 124.44 3iu4 s TYR 87 Ca 0.05 -0.62 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3iu4 s TYR 87 Cb -0.12 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3iu4 s TYR 87 CO 0.01 -0.15 0.64 0.00 -1.57 0.00 0.00 175.55 174.48 3iu4 s GLN 89 N -4.49 0.34 0.02 0.00 0.74 0.12 -0.20 119.66 116.19 3iu4 s GLN 89 Ca 0.43 0.41 -0.18 0.00 0.05 0.00 0.00 55.36 56.07 3iu4 s GLN 89 Cb -0.10 0.16 -0.06 0.00 1.10 0.00 0.00 33.01 34.12 3iu4 s GLN 89 CO 0.39 -0.04 0.51 1.14 -0.55 0.00 0.00 175.29 176.74 3iu4 s GLN 90 N 0.16 4.13 -0.31 1.67 1.03 -0.07 0.03 119.66 126.30 3iu4 s GLN 90 Ca -0.00 0.60 0.07 0.00 0.04 0.00 0.00 55.36 56.07 3iu4 s GLN 90 Cb -0.02 -3.26 0.47 0.00 0.03 0.00 0.00 33.01 30.22 3iu4 s GLN 90 CO 0.00 0.58 1.37 -2.39 -2.54 0.00 0.00 175.29 172.31 3iu4 n HIS 91 N 2.06 1.66 -0.09 9.60 1.44 -0.03 -3.75 115.22 126.11 3iu4 n HIS 91 Ca -0.11 -1.95 -0.18 0.00 -2.01 0.00 0.00 57.72 53.47 3iu4 n HIS 91 Cb 0.51 -0.48 -0.11 0.00 0.12 0.00 0.00 29.99 30.03 3iu4 n HIS 91 CO 0.00 0.00 0.00 -0.92 -2.81 0.00 0.00 176.34 172.61 3iu4 h TYR 92 N 1.52 0.00 -3.06 -1.40 3.20 -1.88 -3.47 116.97 111.88 3iu4 h TYR 92 Ca 0.27 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.05 3iu4 h TYR 92 Cb 1.39 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 39.49 3iu4 h TYR 92 CO 0.96 1.25 -0.16 -1.54 -1.64 0.00 0.00 178.16 177.03 3iu4 s SER 93 N -6.61 -0.24 0.41 -2.11 1.04 -1.26 -5.12 113.70 99.81 3iu4 s SER 93 Ca -0.25 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 55.93 3iu4 s SER 93 Cb 0.03 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 3iu4 s SER 93 CO 0.58 -0.62 1.06 0.28 0.98 0.00 0.00 173.24 175.52 3iu4 s THR 94 N -2.28 3.66 0.34 2.02 -1.32 -1.26 -3.99 115.64 112.81 3iu4 s THR 94 Ca -0.07 1.25 -0.26 0.00 -1.21 0.00 0.00 61.69 61.41 3iu4 s THR 94 Cb -0.01 -3.64 -0.09 0.00 -1.51 0.00 0.00 72.50 67.25 3iu4 s THR 94 CO -0.01 -0.01 1.02 -2.16 -2.21 0.00 0.00 174.62 171.25 3iu4 s PRO 95 N -2.56 4.43 0.23 7.08 0.04 -1.26 -4.93 135.00 138.02 3iu4 s PRO 95 Ca 0.59 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 3iu4 s PRO 95 Cb -0.22 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.43 3iu4 s PRO 95 CO 0.28 0.10 1.36 -1.58 0.04 0.00 0.00 177.00 177.20 3iu4 s TRP 96 N -1.52 3.15 0.05 0.56 0.52 -1.26 -4.73 118.94 115.70 3iu4 s TRP 96 Ca 0.52 1.15 0.04 0.00 0.02 0.00 0.00 56.10 57.83 3iu4 s TRP 96 Cb -0.23 -3.70 -0.02 0.00 -1.15 0.00 0.00 33.47 28.37 3iu4 s TRP 96 CO 0.29 -2.21 -0.12 0.95 0.02 0.00 0.00 176.95 175.88 3iu4 s THR 97 N -0.01 0.92 0.11 2.01 -4.23 -1.25 -5.02 115.64 108.17 3iu4 s THR 97 Ca 0.57 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 3iu4 s THR 97 Cb -0.39 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 3iu4 s THR 97 CO 0.41 -0.14 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.98 3iu4 s PHE 98 N -1.03 2.94 1.09 3.99 0.08 -1.26 -0.89 117.98 122.89 3iu4 s PHE 98 Ca -0.02 -0.06 -0.16 0.00 0.12 0.00 0.00 56.93 56.81 3iu4 s PHE 98 Cb -0.08 -1.50 0.23 0.00 -0.57 0.00 0.00 43.02 41.10 3iu4 s PHE 98 CO 0.01 0.48 1.14 0.20 -0.10 0.00 0.00 175.22 176.95 3iu4 s GLY 99 N -2.41 1.60 0.00 4.36 0.00 0.72 -4.46 107.32 107.13 3iu4 s GLY 99 Ca 0.26 -0.80 0.26 0.00 0.00 0.00 0.00 44.72 44.43 3iu4 s GLY 99 CO 0.18 -0.04 1.68 0.61 0.00 0.00 0.00 173.10 175.54 3iu4 n GLY 100 N -1.55 0.10 0.00 0.20 0.00 -1.26 -4.74 105.19 97.94 3iu4 n GLY 100 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3iu4 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu4 n GLY 101 N 1.17 1.28 2.78 -0.02 0.00 -1.26 -5.03 105.19 104.10 3iu4 n GLY 101 Ca 0.18 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 3iu4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu4 s THR 102 N -2.42 0.27 -0.17 2.61 2.01 0.32 -4.34 115.64 113.92 3iu4 s THR 102 Ca 0.00 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 3iu4 s THR 102 Cb 0.00 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 3iu4 s THR 102 CO 0.00 0.21 0.41 -0.75 -0.69 0.00 0.00 174.62 173.81 3iu4 s LYS 103 N 1.64 4.24 -0.01 4.92 2.20 0.46 -0.54 119.74 132.66 3iu4 s LYS 103 Ca -0.01 0.27 -0.22 0.00 -0.36 0.00 0.00 55.97 55.66 3iu4 s LYS 103 Cb -0.13 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 3iu4 s LYS 103 CO -0.03 0.05 0.65 -0.51 -0.36 0.00 0.00 175.35 175.14 3iu4 s LEU 104 N 1.01 4.40 0.04 5.43 1.43 -0.59 -0.58 118.68 129.81 3iu4 s LEU 104 Ca 0.21 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3iu4 s LEU 104 Cb -0.15 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 3iu4 s LEU 104 CO 0.08 0.04 0.17 -1.61 0.23 0.00 0.00 176.35 175.25 3iu4 s GLU 105 N 0.05 3.30 -0.15 1.70 2.02 -0.83 -4.20 118.70 120.60 3iu4 s GLU 105 Ca 0.34 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.88 3iu4 s GLU 105 Cb -0.18 -2.98 -0.00 0.00 0.10 0.00 0.00 34.13 31.06 3iu4 s GLU 105 CO 0.18 0.63 -0.16 -0.51 0.02 0.00 0.00 175.26 175.42 3iu4 s LEU 106 N -2.24 2.44 0.27 1.80 1.02 -1.26 -1.79 118.68 118.93 3iu4 s LEU 106 Ca 0.30 -0.48 -0.27 0.00 0.02 0.00 0.00 54.13 53.71 3iu4 s LEU 106 Cb -0.13 -1.55 -0.09 0.00 0.02 0.00 0.00 46.19 44.44 3iu4 s LEU 106 CO 0.23 0.09 0.91 -0.54 0.02 0.00 0.00 176.35 177.05 3iu4 s LYS 107 N 0.80 4.66 0.35 1.70 1.02 0.16 -4.93 119.74 123.51 3iu4 s LYS 107 Ca -0.06 1.34 -0.09 0.00 0.02 0.00 0.00 55.97 57.18 3iu4 s LYS 107 Cb -0.15 -3.02 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3iu4 s LYS 107 CO -0.00 0.40 0.62 2.89 -0.92 0.00 0.00 175.35 178.34 3iu4 n ARG 108 N 1.01 0.89 -2.15 1.68 1.85 -1.26 -4.50 116.66 114.18 3iu4 n ARG 108 Ca -0.01 -2.30 -0.28 0.00 -1.00 0.00 0.00 57.85 54.26 3iu4 n ARG 108 Cb 0.49 2.56 0.04 0.00 -1.05 0.00 0.00 32.46 34.50 3iu4 n ARG 108 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3iu4 s THR 109 N -2.43 3.62 0.21 8.89 -4.23 -1.26 -4.95 115.64 115.49 3iu4 s THR 109 Ca 0.20 0.25 -0.31 0.00 -1.18 0.00 0.00 61.69 60.66 3iu4 s THR 109 Cb -0.03 -3.48 -0.10 0.00 1.34 0.00 0.00 72.50 70.23 3iu4 s THR 109 CO 0.15 -0.56 1.44 -0.69 -0.54 0.00 0.00 174.62 174.41 3iu4 s VAL 110 N -3.17 2.81 -0.09 2.29 1.01 -1.26 -4.79 120.40 117.20 3iu4 s VAL 110 Ca 0.56 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 63.18 3iu4 s VAL 110 Cb -0.11 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3iu4 s VAL 110 CO 0.48 0.08 -0.06 0.00 0.00 0.00 0.00 175.10 175.61 3iu4 s ALA 111 N 0.41 1.12 0.50 5.51 0.00 0.56 -4.93 121.76 124.93 3iu4 s ALA 111 Ca 0.62 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 3iu4 s ALA 111 Cb -0.41 -0.80 -0.06 0.00 0.00 0.00 0.00 23.12 21.85 3iu4 s ALA 111 CO 0.38 -0.34 1.27 0.00 0.00 0.00 0.00 175.76 177.07 3iu4 s ALA 112 N 1.61 2.90 0.50 0.00 0.00 -1.26 -0.86 121.76 124.65 3iu4 s ALA 112 Ca 0.02 1.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 3iu4 s ALA 112 Cb -0.13 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 3iu4 s ALA 112 CO -0.06 -1.04 1.13 -1.25 0.00 0.00 0.00 175.76 174.55 3iu4 s PRO 113 N -2.79 3.58 0.15 0.00 0.04 -1.26 -4.55 135.00 130.16 3iu4 s PRO 113 Ca 0.68 1.64 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 3iu4 s PRO 113 Cb -0.35 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 3iu4 s PRO 113 CO 0.42 -0.67 0.69 -1.12 0.04 0.00 0.00 177.00 176.36 3iu4 s SER 114 N -1.64 7.19 -0.04 6.66 0.01 -0.56 -4.83 113.70 120.50 3iu4 s SER 114 Ca 0.68 1.45 0.07 0.00 1.31 0.00 0.00 55.95 59.46 3iu4 s SER 114 Cb -0.25 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 3iu4 s SER 114 CO 0.29 0.18 -0.25 -0.69 0.41 0.00 0.00 173.24 173.18 3iu4 s VAL 115 N -1.25 2.10 0.01 3.43 1.01 -1.26 0.16 120.40 124.61 3iu4 s VAL 115 Ca 0.36 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3iu4 s VAL 115 Cb -0.20 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3iu4 s VAL 115 CO 0.22 0.58 -0.04 -0.36 0.00 0.00 0.00 175.10 175.50 3iu4 s PHE 116 N -0.45 0.34 -0.02 5.22 0.08 -0.01 -4.96 117.98 118.18 3iu4 s PHE 116 Ca 0.05 -0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.00 3iu4 s PHE 116 Cb -0.11 -0.22 -0.02 0.00 -0.57 0.00 0.00 43.02 42.10 3iu4 s PHE 116 CO 0.01 -0.04 -0.24 -1.50 -0.10 0.00 0.00 175.22 173.35 3iu4 s ILE 117 N -0.42 1.93 -0.09 0.64 2.07 -1.26 -0.43 121.20 123.65 3iu4 s ILE 117 Ca -0.02 -1.05 0.02 0.00 -1.41 0.00 0.00 60.65 58.19 3iu4 s ILE 117 Cb -0.03 -1.60 0.01 0.00 0.13 0.00 0.00 42.46 40.97 3iu4 s ILE 117 CO -0.00 0.54 -0.16 -0.36 -1.91 0.00 0.00 174.94 173.05 3iu4 s PHE 118 N -0.58 1.86 0.79 3.50 0.08 0.10 -5.00 117.98 118.73 3iu4 s PHE 118 Ca 0.09 -0.76 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 3iu4 s PHE 118 Cb -0.09 -1.32 0.07 0.00 -0.57 0.00 0.00 43.02 41.10 3iu4 s PHE 118 CO -0.01 -0.37 1.09 -2.14 -0.10 0.00 0.00 175.22 173.69 3iu4 s PRO 119 N 0.69 2.13 0.55 0.24 0.02 -1.26 -1.71 135.00 135.65 3iu4 s PRO 119 Ca -0.13 1.10 -0.21 0.00 0.02 0.00 0.00 61.00 61.77 3iu4 s PRO 119 Cb -0.16 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 3iu4 s PRO 119 CO 0.03 -1.71 1.28 -1.25 -0.33 0.00 0.00 177.00 175.02 3iu4 s PRO 120 N -4.92 3.19 0.46 5.54 0.04 -1.21 -4.83 135.00 133.26 3iu4 s PRO 120 Ca 0.61 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 63.48 3iu4 s PRO 120 Cb -0.17 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3iu4 s PRO 120 CO 0.56 -1.09 1.05 -1.54 0.04 0.00 0.00 177.00 176.02 3iu4 s SER 121 N -1.20 6.44 0.38 6.66 1.04 -1.26 -4.96 113.70 120.80 3iu4 s SER 121 Ca 0.72 1.99 0.05 0.00 0.48 0.00 0.00 55.95 59.19 3iu4 s SER 121 Cb -0.36 -2.57 0.75 0.00 0.10 0.00 0.00 66.02 63.94 3iu4 s SER 121 CO 0.41 -0.71 2.01 0.44 0.98 0.00 0.00 173.24 176.38 3iu4 h ASP 122 N 1.86 0.55 -0.40 7.02 3.32 -1.99 -2.38 116.42 124.40 3iu4 h ASP 122 Ca -0.49 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 56.61 3iu4 h ASP 122 Cb 1.22 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 3iu4 h ASP 122 CO 0.60 0.44 -0.19 -0.08 -1.72 0.00 0.00 179.24 178.28 3iu4 h GLU 123 N 0.63 -0.11 -0.48 3.56 4.81 -2.01 -2.30 114.58 118.68 3iu4 h GLU 123 Ca 0.17 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3iu4 h GLU 123 Cb -0.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3iu4 h GLU 123 CO -0.03 -0.08 0.17 0.37 -0.73 0.00 0.00 179.01 178.71 3iu4 h GLN 124 N -0.12 0.73 -0.94 1.92 4.15 -1.82 -2.74 115.11 116.30 3iu4 h GLN 124 Ca 0.20 -0.15 0.20 0.00 0.77 0.00 0.00 58.65 59.67 3iu4 h GLN 124 Cb 0.42 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.92 3iu4 h GLN 124 CO -0.48 0.68 0.61 -0.07 -1.93 0.00 0.00 178.83 177.64 3iu4 h LEU 125 N 0.63 0.51 -1.71 -2.39 3.38 -0.98 0.64 115.31 115.39 3iu4 h LEU 125 Ca 0.16 0.06 0.28 0.00 0.09 0.00 0.00 57.88 58.46 3iu4 h LEU 125 Cb 0.24 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3iu4 h LEU 125 CO -0.01 0.19 0.70 0.11 0.09 0.00 0.00 178.44 179.53 3iu4 h LYS 126 N 0.50 0.19 0.00 1.13 1.57 -1.10 -2.28 116.57 116.58 3iu4 h LYS 126 Ca 0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3iu4 h LYS 126 Cb 1.12 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3iu4 h LYS 126 CO -0.23 0.13 -0.01 -1.13 -0.57 0.00 0.00 179.45 177.64 3iu4 n SER 127 N -4.40 0.61 0.00 0.86 3.41 0.22 -4.91 113.62 109.41 3iu4 n SER 127 Ca 0.23 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 3iu4 n SER 127 Cb 0.97 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3iu4 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iu4 n GLY 128 N 1.36 0.38 3.14 5.00 0.00 -0.86 -5.06 105.19 109.16 3iu4 n GLY 128 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3iu4 n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu4 s THR 129 N -2.00 1.07 -0.12 2.61 2.01 -1.26 -1.69 115.64 116.27 3iu4 s THR 129 Ca 0.00 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 60.95 3iu4 s THR 129 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 3iu4 s THR 129 CO 0.00 -0.08 -0.23 0.00 -0.69 0.00 0.00 174.62 173.62 3iu4 s ALA 130 N -0.98 2.19 -0.21 7.40 0.00 0.70 -3.83 121.76 127.02 3iu4 s ALA 130 Ca 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3iu4 s ALA 130 Cb -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3iu4 s ALA 130 CO 0.01 0.13 -0.04 -1.12 0.00 0.00 0.00 175.76 174.75 3iu4 s SER 131 N 0.58 4.44 -0.13 0.00 0.01 -1.26 -0.89 113.70 116.46 3iu4 s SER 131 Ca -0.13 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 3iu4 s SER 131 Cb -0.17 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 3iu4 s SER 131 CO 0.04 0.02 0.03 -0.69 0.41 0.00 0.00 173.24 173.04 3iu4 s VAL 132 N 1.24 4.50 -0.06 3.43 1.01 0.51 -3.33 120.40 127.70 3iu4 s VAL 132 Ca 0.03 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3iu4 s VAL 132 Cb -0.14 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3iu4 s VAL 132 CO -0.01 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 174.73 3iu4 s VAL 133 N -0.33 1.83 -0.12 2.92 1.01 -0.70 -0.34 120.40 124.67 3iu4 s VAL 133 Ca 0.08 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3iu4 s VAL 133 Cb -0.12 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3iu4 s VAL 133 CO 0.02 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.48 3iu4 s LEU 135 N 0.28 2.79 -0.32 0.00 2.96 0.43 -0.53 118.68 124.29 3iu4 s LEU 135 Ca -0.11 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.31 3iu4 s LEU 135 Cb -0.16 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3iu4 s LEU 135 CO 0.06 0.06 0.21 -0.76 -1.32 0.00 0.00 176.35 174.59 3iu4 s LEU 136 N 1.00 4.33 -0.20 -0.68 1.02 0.08 -0.83 118.68 123.39 3iu4 s LEU 136 Ca -0.01 -0.40 -0.04 0.00 0.02 0.00 0.00 54.13 53.70 3iu4 s LEU 136 Cb -0.15 -2.09 -0.02 0.00 0.02 0.00 0.00 46.19 43.95 3iu4 s LEU 136 CO -0.01 -0.20 -0.02 0.21 0.02 0.00 0.00 176.35 176.35 3iu4 s ASN 137 N 1.70 4.63 -0.85 2.29 2.47 0.12 -0.62 114.94 124.68 3iu4 s ASN 137 Ca 0.06 -0.26 -0.03 0.00 0.42 0.00 0.00 52.86 53.05 3iu4 s ASN 137 Cb -0.17 -1.79 -0.02 0.00 -1.45 0.00 0.00 41.25 37.82 3iu4 s ASN 137 CO 0.09 0.05 0.75 0.59 -3.72 0.00 0.00 177.10 174.86 3iu4 n ASN 138 N 4.37 -7.17 -4.51 -4.21 4.13 -0.87 -1.49 115.26 105.51 3iu4 n ASN 138 Ca -0.17 -0.35 -0.24 0.00 1.68 0.00 0.00 54.58 55.49 3iu4 n ASN 138 Cb 0.52 -4.92 -0.11 0.00 -1.54 0.00 0.00 39.78 33.73 3iu4 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3iu4 s PHE 139 N -3.12 2.23 -0.28 3.10 -0.12 0.04 -4.56 117.98 115.28 3iu4 s PHE 139 Ca 0.14 -0.66 -0.21 0.00 -0.05 0.00 0.00 56.93 56.15 3iu4 s PHE 139 Cb -0.03 -1.37 0.08 0.00 -0.63 0.00 0.00 43.02 41.07 3iu4 s PHE 139 CO 0.76 0.39 0.72 -0.47 -0.05 0.00 0.00 175.22 176.57 3iu4 s TYR 140 N -2.85 -0.90 0.75 3.49 5.04 -0.04 -0.63 117.35 122.21 3iu4 s TYR 140 Ca 0.33 1.98 -0.13 0.00 -2.44 0.00 0.00 57.07 56.81 3iu4 s TYR 140 Cb 0.05 0.44 0.18 0.00 0.35 0.00 0.00 41.96 42.98 3iu4 s TYR 140 CO 0.15 -0.44 0.87 -0.35 -1.34 0.00 0.00 175.55 174.44 3iu4 n PRO 141 N 3.41 -1.49 0.20 4.97 -0.04 -1.26 -0.32 135.00 140.47 3iu4 n PRO 141 Ca -0.17 -1.36 0.09 0.00 -0.04 0.00 0.00 63.50 62.02 3iu4 n PRO 141 Cb 0.57 -1.03 0.28 0.00 -0.04 0.00 0.00 33.50 33.29 3iu4 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3iu4 h ARG 142 N 0.00 0.00 -6.46 0.54 2.43 -1.99 -3.44 114.38 105.46 3iu4 h ARG 142 Ca -0.30 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.34 3iu4 h ARG 142 Cb 0.85 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.42 3iu4 h ARG 142 CO 0.20 0.25 0.98 -2.00 -1.51 0.00 0.00 179.97 177.89 3iu4 s GLU 143 N -3.35 4.20 -0.07 0.20 2.12 -1.26 -4.96 118.70 115.58 3iu4 s GLU 143 Ca 0.03 2.32 -0.25 0.00 0.36 0.00 0.00 54.97 57.43 3iu4 s GLU 143 Cb 0.08 -3.57 0.06 0.00 0.26 0.00 0.00 34.13 30.96 3iu4 s GLU 143 CO 0.67 -0.72 0.58 0.00 -0.54 0.00 0.00 175.26 175.24 3iu4 s ALA 144 N 2.54 -1.48 -0.12 6.30 0.00 -1.26 -4.61 121.76 123.12 3iu4 s ALA 144 Ca 0.73 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.86 3iu4 s ALA 144 Cb -0.40 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.57 3iu4 s ALA 144 CO 0.32 -0.33 -0.19 0.21 0.00 0.00 0.00 175.76 175.77 3iu4 s LYS 145 N -0.94 2.65 -0.18 0.00 2.20 -0.34 -5.00 119.74 118.13 3iu4 s LYS 145 Ca -0.10 -0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 3iu4 s LYS 145 Cb -0.02 -2.17 -0.00 0.00 -1.51 0.00 0.00 37.83 34.13 3iu4 s LYS 145 CO 0.07 -0.02 -0.12 0.08 -0.36 0.00 0.00 175.35 174.99 3iu4 s VAL 146 N 0.86 2.80 -0.13 4.02 1.01 -1.26 -1.56 120.40 126.15 3iu4 s VAL 146 Ca -0.08 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3iu4 s VAL 146 Cb -0.15 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3iu4 s VAL 146 CO -0.01 0.49 -0.19 -1.10 0.00 0.00 0.00 175.10 174.29 3iu4 s GLN 147 N 1.10 3.18 0.01 2.72 -0.21 0.17 -4.95 119.66 121.68 3iu4 s GLN 147 Ca 0.00 -0.79 -0.11 0.00 0.02 0.00 0.00 55.36 54.48 3iu4 s GLN 147 Cb -0.14 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.32 3iu4 s GLN 147 CO -0.04 0.13 0.35 -1.58 -2.12 0.00 0.00 175.29 172.03 3iu4 s TRP 148 N 0.52 3.65 0.01 0.91 0.52 -1.26 -0.65 118.94 122.64 3iu4 s TRP 148 Ca -0.12 0.82 0.05 0.00 0.02 0.00 0.00 56.10 56.87 3iu4 s TRP 148 Cb -0.16 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 29.97 3iu4 s TRP 148 CO 0.05 0.62 -0.16 0.15 0.02 0.00 0.00 176.95 177.63 3iu4 s LYS 149 N -1.40 1.15 -0.08 4.98 1.02 0.15 -0.88 119.74 124.67 3iu4 s LYS 149 Ca 0.26 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.57 3iu4 s LYS 149 Cb -0.15 -1.15 0.02 0.00 -0.52 0.00 0.00 37.83 36.04 3iu4 s LYS 149 CO 0.14 0.30 -0.06 0.08 -0.92 0.00 0.00 175.35 174.89 3iu4 s VAL 150 N -0.59 0.80 -1.62 3.17 1.01 -0.85 -1.37 120.40 120.95 3iu4 s VAL 150 Ca 0.05 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3iu4 s VAL 150 Cb -0.07 -0.83 0.09 0.00 0.00 0.00 0.00 36.38 35.57 3iu4 s VAL 150 CO 0.00 0.31 0.46 0.47 0.00 0.00 0.00 175.10 176.35 3iu4 n ASP 151 N 4.61 -1.18 0.00 3.32 8.00 0.44 -1.44 116.55 130.31 3iu4 n ASP 151 Ca -0.16 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3iu4 n ASP 151 Cb 0.50 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 3iu4 n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3iu4 n ASN 152 N -2.77 0.00 -4.71 -2.24 5.15 -1.26 -4.99 115.26 104.44 3iu4 n ASN 152 Ca -0.12 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.49 3iu4 n ASN 152 Cb 0.59 -0.65 -0.07 0.00 -0.53 0.00 0.00 39.78 39.11 3iu4 n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iu4 s ALA 153 N -3.15 3.58 0.16 5.20 0.00 -0.52 -5.01 121.76 122.02 3iu4 s ALA 153 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.15 3iu4 s ALA 153 Cb 0.00 -2.44 -0.10 0.00 0.00 0.00 0.00 23.12 20.57 3iu4 s ALA 153 CO 0.00 -0.02 1.65 -0.51 0.00 0.00 0.00 175.76 176.89 3iu4 s LEU 154 N 0.71 4.37 0.26 0.00 2.01 -1.26 -2.01 118.68 122.76 3iu4 s LEU 154 Ca 0.16 2.68 -0.13 0.00 0.01 0.00 0.00 54.13 56.86 3iu4 s LEU 154 Cb -0.13 -3.59 -0.08 0.00 0.01 0.00 0.00 46.19 42.40 3iu4 s LEU 154 CO 0.05 -0.90 0.64 -1.10 1.01 0.00 0.00 176.35 176.05 3iu4 s GLN 155 N 1.57 3.93 -0.06 1.70 -1.52 -0.06 -4.96 119.66 120.26 3iu4 s GLN 155 Ca 0.73 0.50 -0.19 0.00 -1.95 0.00 0.00 55.36 54.45 3iu4 s GLN 155 Cb -0.45 -2.59 0.04 0.00 -0.22 0.00 0.00 33.01 29.79 3iu4 s GLN 155 CO 0.32 0.26 0.43 -1.54 -0.25 0.00 0.00 175.29 174.52 3iu4 s SER 156 N -2.23 -0.37 0.00 5.90 1.04 -1.26 -4.67 113.70 112.10 3iu4 s SER 156 Ca 0.49 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.37 3iu4 s SER 156 Cb -0.11 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3iu4 s SER 156 CO 0.19 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3iu4 n GLY 157 N 1.59 1.31 0.70 7.32 0.00 -1.26 -4.88 105.19 109.96 3iu4 n GLY 157 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 3iu4 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iu4 n ASN 158 N 0.00 1.53 -4.24 1.61 0.23 -1.26 -5.03 115.26 108.11 3iu4 n ASN 158 Ca 0.00 -3.19 -0.13 0.00 -0.53 0.00 0.00 54.58 50.73 3iu4 n ASN 158 Cb 0.00 -0.43 -0.10 0.00 -2.08 0.00 0.00 39.78 37.16 3iu4 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3iu4 s SER 159 N -2.72 1.61 0.04 0.53 1.04 -1.26 -1.47 113.70 111.47 3iu4 s SER 159 Ca 0.33 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 55.74 3iu4 s SER 159 Cb 0.33 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 3iu4 s SER 159 CO -0.07 -0.39 -0.06 -1.10 0.98 0.00 0.00 173.24 172.60 3iu4 s GLN 160 N -3.79 0.51 0.12 4.02 -0.21 -0.59 -4.97 119.66 114.75 3iu4 s GLN 160 Ca 0.17 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.73 3iu4 s GLN 160 Cb 0.04 -0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.87 3iu4 s GLN 160 CO 0.00 0.00 0.00 -1.83 -2.12 0.00 0.00 175.29 171.35 3iu4 s GLU 161 N -1.98 0.90 0.08 2.91 -1.05 -1.26 -0.70 118.70 117.60 3iu4 s GLU 161 Ca -0.08 -1.41 -0.06 0.00 -0.15 0.00 0.00 54.97 53.28 3iu4 s GLU 161 Cb -0.07 0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 3iu4 s GLU 161 CO -0.01 -0.15 0.11 -1.54 0.95 0.00 0.00 175.26 174.61 3iu4 s SER 162 N -3.06 0.26 -0.00 0.83 1.04 -0.35 -4.99 113.70 107.43 3iu4 s SER 162 Ca 0.19 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.83 3iu4 s SER 162 Cb 0.07 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 3iu4 s SER 162 CO -0.01 -0.69 -0.07 -0.69 0.98 0.00 0.00 173.24 172.76 3iu4 s VAL 163 N -3.89 0.55 0.80 5.02 1.01 -1.26 -1.31 120.40 121.32 3iu4 s VAL 163 Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 3iu4 s VAL 163 Cb 0.06 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 36.04 3iu4 s VAL 163 CO -0.10 0.13 1.12 0.42 0.00 0.00 0.00 175.10 176.67 3iu4 s THR 164 N -0.21 2.82 0.77 3.92 -4.23 -0.12 -4.99 115.64 113.60 3iu4 s THR 164 Ca 0.02 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 3iu4 s THR 164 Cb -0.03 -3.10 0.05 0.00 1.34 0.00 0.00 72.50 70.76 3iu4 s THR 164 CO -0.00 -0.35 1.08 -1.61 -0.54 0.00 0.00 174.62 173.20 3iu4 s GLU 165 N -5.28 2.34 0.27 3.99 0.41 -1.26 -4.59 118.70 114.59 3iu4 s GLU 165 Ca 0.61 0.81 -0.29 0.00 -0.41 0.00 0.00 54.97 55.68 3iu4 s GLU 165 Cb -0.13 -1.93 -0.14 0.00 -1.78 0.00 0.00 34.13 30.15 3iu4 s GLU 165 CO 0.53 -1.48 1.19 1.04 -0.49 0.00 0.00 175.26 176.05 3iu4 n GLN 166 N -3.36 1.66 -2.45 1.61 6.02 -1.26 -4.75 117.38 114.84 3iu4 n GLN 166 Ca 0.07 0.58 -0.38 0.00 -0.01 0.00 0.00 57.00 57.27 3iu4 n GLN 166 Cb 0.55 -2.09 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 3iu4 n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3iu4 s ASP 167 N -0.22 6.77 0.27 1.08 2.15 0.08 -4.86 116.67 121.94 3iu4 s ASP 167 Ca 0.62 2.18 0.25 0.00 0.43 0.00 0.00 52.55 56.03 3iu4 s ASP 167 Cb -0.68 -2.60 0.95 0.00 -0.30 0.00 0.00 42.92 40.29 3iu4 s ASP 167 CO 0.57 -0.49 1.74 0.77 -0.17 0.00 0.00 175.17 177.59 3iu4 h SER 168 N 2.79 0.00 0.00 -0.34 4.64 -1.90 -0.66 113.55 118.08 3iu4 h SER 168 Ca -0.48 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.49 3iu4 h SER 168 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 3iu4 h SER 168 CO 0.63 0.00 -2.15 0.29 -0.87 0.00 0.00 176.83 174.73 3iu4 n LYS 169 N -2.31 0.49 -0.10 4.77 5.02 -1.26 -2.37 118.16 122.39 3iu4 n LYS 169 Ca 0.03 0.21 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 3iu4 n LYS 169 Cb 0.29 -1.32 0.12 0.00 -0.02 0.00 0.00 35.03 34.10 3iu4 n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3iu4 n ASP 170 N -4.07 2.63 -0.11 4.39 5.68 -1.24 -4.89 116.55 118.93 3iu4 n ASP 170 Ca -0.42 -1.78 -0.01 0.00 -0.50 0.00 0.00 54.79 52.07 3iu4 n ASP 170 Cb 0.78 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 40.62 3iu4 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3iu4 n SER 171 N 0.78 -5.12 -4.94 -1.12 7.64 -0.25 -4.90 113.62 105.71 3iu4 n SER 171 Ca 0.11 0.03 -0.24 0.00 1.01 0.00 0.00 58.87 59.78 3iu4 n SER 171 Cb 0.41 -2.74 0.03 0.00 -1.01 0.00 0.00 64.21 60.90 3iu4 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iu4 s THR 172 N -1.40 3.36 0.25 0.44 -4.23 -1.26 -4.41 115.64 108.39 3iu4 s THR 172 Ca 0.00 -0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.27 3iu4 s THR 172 Cb 0.00 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 3iu4 s THR 172 CO 0.00 -0.27 0.22 -0.31 -0.54 0.00 0.00 174.62 173.72 3iu4 s TYR 173 N -2.86 3.15 0.13 3.99 2.02 0.20 -0.74 117.35 123.24 3iu4 s TYR 173 Ca 0.54 -0.10 0.06 0.00 -0.37 0.00 0.00 57.07 57.20 3iu4 s TYR 173 Cb -0.10 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3iu4 s TYR 173 CO 0.42 0.51 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.66 3iu4 s SER 174 N -3.86 1.95 -0.00 2.29 0.01 -1.26 -0.78 113.70 112.05 3iu4 s SER 174 Ca 0.33 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3iu4 s SER 174 Cb -0.08 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 3iu4 s SER 174 CO 0.25 -0.18 -0.07 -0.22 0.41 0.00 0.00 173.24 173.43 3iu4 s LEU 175 N -2.59 2.03 -0.09 2.44 0.20 0.21 -0.94 118.68 119.93 3iu4 s LEU 175 Ca 0.10 -0.15 0.04 0.00 0.69 0.00 0.00 54.13 54.81 3iu4 s LEU 175 Cb -0.04 -0.34 -0.01 0.00 -0.43 0.00 0.00 46.19 45.37 3iu4 s LEU 175 CO 0.03 0.07 -0.20 -0.55 -0.29 0.00 0.00 176.35 175.40 3iu4 s SER 176 N -0.24 3.43 -0.02 3.68 0.15 -0.42 -0.75 113.70 119.53 3iu4 s SER 176 Ca 0.02 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 56.29 3iu4 s SER 176 Cb -0.03 -1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.05 3iu4 s SER 176 CO -0.00 0.21 -0.22 -0.55 1.20 0.00 0.00 173.24 173.88 3iu4 s SER 177 N 0.05 2.57 -0.08 5.45 0.15 0.31 -1.21 113.70 120.95 3iu4 s SER 177 Ca -0.08 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.20 3iu4 s SER 177 Cb -0.15 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 63.87 3iu4 s SER 177 CO 0.05 0.27 -0.17 -0.89 1.20 0.00 0.00 173.24 173.70 3iu4 s THR 178 N -0.50 1.50 -0.23 6.45 2.01 0.12 -0.79 115.64 124.21 3iu4 s THR 178 Ca 0.08 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 3iu4 s THR 178 Cb -0.09 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3iu4 s THR 178 CO -0.01 0.44 0.12 -0.22 -0.69 0.00 0.00 174.62 174.26 3iu4 s LEU 179 N 0.53 3.90 -0.18 4.42 2.96 0.54 -1.55 118.68 129.30 3iu4 s LEU 179 Ca -0.16 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3iu4 s LEU 179 Cb -0.17 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3iu4 s LEU 179 CO 0.06 0.07 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.17 3iu4 s THR 180 N 1.01 3.05 0.15 3.68 2.01 -0.54 -0.36 115.64 124.63 3iu4 s THR 180 Ca 0.06 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.48 3iu4 s THR 180 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 3iu4 s THR 180 CO 0.04 0.48 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 3iu4 s LEU 181 N 1.03 2.51 0.64 4.42 1.43 -0.07 -4.89 118.68 123.75 3iu4 s LEU 181 Ca -0.00 -1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 51.92 3iu4 s LEU 181 Cb -0.15 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 3iu4 s LEU 181 CO -0.02 -0.34 1.08 -0.94 0.23 0.00 0.00 176.35 176.37 3iu4 s SER 182 N -3.18 5.40 0.28 2.29 1.04 -1.26 -0.21 113.70 118.06 3iu4 s SER 182 Ca 0.17 1.89 0.01 0.00 0.48 0.00 0.00 55.95 58.51 3iu4 s SER 182 Cb 0.03 -2.54 0.63 0.00 0.10 0.00 0.00 66.02 64.24 3iu4 s SER 182 CO 0.01 -1.43 1.72 0.50 0.98 0.00 0.00 173.24 175.02 3iu4 h LYS 183 N 0.13 0.46 -0.44 4.02 3.64 -1.59 0.26 116.57 123.05 3iu4 h LYS 183 Ca -0.47 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 58.75 3iu4 h LYS 183 Cb 1.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3iu4 h LYS 183 CO 0.56 0.30 -0.26 0.00 -2.27 0.00 0.00 179.45 177.77 3iu4 h ALA 184 N 1.64 0.70 -0.59 5.00 0.00 -1.91 -0.71 119.26 123.39 3iu4 h ALA 184 Ca 0.51 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3iu4 h ALA 184 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3iu4 h ALA 184 CO -0.46 0.67 0.13 -0.44 0.00 0.00 0.00 179.25 179.15 3iu4 h ASP 185 N 0.80 0.90 -0.57 0.00 3.32 -1.77 -2.53 116.42 116.56 3iu4 h ASP 185 Ca 0.09 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3iu4 h ASP 185 Cb 0.84 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 3iu4 h ASP 185 CO 0.07 0.90 0.32 0.22 -1.72 0.00 0.00 179.24 179.03 3iu4 h TYR 186 N 0.85 0.79 0.00 4.55 3.20 -0.71 -2.78 116.97 122.87 3iu4 h TYR 186 Ca 0.18 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3iu4 h TYR 186 Cb 0.36 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3iu4 h TYR 186 CO 0.03 0.57 -0.14 0.93 -1.64 0.00 0.00 178.16 177.90 3iu4 h GLU 187 N 0.77 0.00 0.00 1.82 4.39 -1.05 -3.06 114.58 117.45 3iu4 h GLU 187 Ca 0.20 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 3iu4 h GLU 187 Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3iu4 h GLU 187 CO -0.03 0.14 -0.85 0.87 -1.16 0.00 0.00 179.01 177.98 3iu4 h LYS 188 N 0.00 0.00 -6.53 2.33 1.57 -1.17 -3.46 116.57 109.30 3iu4 h LYS 188 Ca -0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.33 3iu4 h LYS 188 Cb 0.47 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.80 3iu4 h LYS 188 CO 0.02 0.52 -0.21 -1.01 -0.57 0.00 0.00 179.45 178.20 3iu4 s HIS 189 N -2.90 3.09 -0.03 -1.35 3.76 -1.14 -5.08 115.29 111.63 3iu4 s HIS 189 Ca 0.01 -0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.87 3iu4 s HIS 189 Cb 0.08 -2.24 -0.02 0.00 1.11 0.00 0.00 32.58 31.51 3iu4 s HIS 189 CO 0.78 -0.29 -0.03 1.17 -0.85 0.00 0.00 174.74 175.52 3iu4 n LYS 190 N -1.91 0.08 -4.23 1.40 3.00 -1.26 -4.78 118.16 110.46 3iu4 n LYS 190 Ca 0.02 0.02 -0.34 0.00 -0.00 0.00 0.00 58.31 58.01 3iu4 n LYS 190 Cb 0.58 -0.97 -0.14 0.00 0.00 0.00 0.00 35.03 34.51 3iu4 n LYS 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3iu4 s VAL 191 N -2.07 3.42 -0.15 3.15 1.01 -1.26 -0.73 120.40 123.77 3iu4 s VAL 191 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3iu4 s VAL 191 Cb 0.01 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3iu4 s VAL 191 CO 0.07 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.13 3iu4 s TYR 192 N 0.95 2.57 -0.00 5.22 2.02 -0.11 -0.42 117.35 127.57 3iu4 s TYR 192 Ca -0.01 -1.37 0.02 0.00 -0.37 0.00 0.00 57.07 55.35 3iu4 s TYR 192 Cb -0.15 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3iu4 s TYR 192 CO 0.00 -0.66 -0.08 0.00 -1.57 0.00 0.00 175.55 173.25 3iu4 s ALA 193 N 1.04 0.65 -0.25 3.71 0.00 -0.47 -1.43 121.76 125.01 3iu4 s ALA 193 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 3iu4 s ALA 193 Cb -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3iu4 s ALA 193 CO -0.06 0.15 -0.03 0.00 0.00 0.00 0.00 175.76 175.82 3iu4 s GLU 195 N 1.39 3.64 -0.17 0.00 2.12 0.18 -1.79 118.70 124.08 3iu4 s GLU 195 Ca 0.02 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.85 3iu4 s GLU 195 Cb -0.16 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3iu4 s GLU 195 CO -0.03 -0.04 -0.15 0.08 -0.54 0.00 0.00 175.26 174.58 3iu4 s VAL 196 N 1.17 2.61 -0.18 3.70 1.01 0.92 -0.65 120.40 128.98 3iu4 s VAL 196 Ca 0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3iu4 s VAL 196 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3iu4 s VAL 196 CO 0.02 0.51 -0.07 -0.89 0.00 0.00 0.00 175.10 174.67 3iu4 s THR 197 N 0.96 3.39 -0.11 3.92 2.01 -0.60 -0.66 115.64 124.56 3iu4 s THR 197 Ca -0.02 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 3iu4 s THR 197 Cb -0.15 -2.50 0.05 0.00 0.01 0.00 0.00 72.50 69.91 3iu4 s THR 197 CO -0.03 0.47 0.51 -2.28 -0.69 0.00 0.00 174.62 172.60 3iu4 s HIS 198 N 0.92 -0.49 0.54 4.92 2.46 -1.26 -1.20 115.29 121.18 3iu4 s HIS 198 Ca -0.01 1.01 0.30 0.00 0.47 0.00 0.00 55.06 56.84 3iu4 s HIS 198 Cb -0.15 0.23 1.46 0.00 -0.13 0.00 0.00 32.58 34.00 3iu4 s HIS 198 CO 0.01 -0.40 1.91 0.37 -2.47 0.00 0.00 174.74 174.15 3iu4 h GLN 199 N 4.25 0.00 0.00 2.88 4.15 -1.93 0.94 115.11 125.41 3iu4 h GLN 199 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 3iu4 h GLN 199 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3iu4 h GLN 199 CO 0.30 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.61 3iu4 n GLY 200 N -1.68 -1.03 3.32 2.39 0.00 -1.26 -4.73 105.19 102.20 3iu4 n GLY 200 Ca 0.16 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3iu4 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu4 s LEU 201 N -2.08 2.62 0.38 0.99 1.43 0.32 -4.47 118.68 117.87 3iu4 s LEU 201 Ca 0.45 -0.40 0.15 0.00 -1.03 0.00 0.00 54.13 53.30 3iu4 s LEU 201 Cb 0.22 -1.60 0.78 0.00 0.03 0.00 0.00 46.19 45.62 3iu4 s LEU 201 CO 0.38 0.12 1.84 0.77 0.23 0.00 0.00 176.35 179.68 3iu4 h SER 202 N 7.06 0.00 -5.34 2.29 4.64 -1.84 -3.44 113.55 116.91 3iu4 h SER 202 Ca -0.30 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 3iu4 h SER 202 Cb 1.20 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 3iu4 h SER 202 CO 0.56 0.35 -0.34 -0.94 -0.87 0.00 0.00 176.83 175.59 3iu4 s SER 203 N -6.81 0.04 0.40 4.97 1.04 -1.26 -5.13 113.70 106.94 3iu4 s SER 203 Ca -0.02 -1.03 -0.27 0.00 0.48 0.00 0.00 55.95 55.11 3iu4 s SER 203 Cb 0.14 0.46 -0.09 0.00 0.10 0.00 0.00 66.02 66.63 3iu4 s SER 203 CO 0.71 -0.95 1.38 -2.84 0.98 0.00 0.00 173.24 172.51 3iu4 s PRO 204 N -4.03 4.00 -0.14 4.02 0.02 -1.26 -4.95 135.00 132.66 3iu4 s PRO 204 Ca 0.24 2.33 -0.07 0.00 0.02 0.00 0.00 61.00 63.52 3iu4 s PRO 204 Cb 0.03 -2.84 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3iu4 s PRO 204 CO 0.06 -0.53 0.13 0.08 -0.33 0.00 0.00 177.00 176.41 3iu4 s VAL 205 N -1.19 5.41 -0.10 3.83 1.01 0.17 -4.88 120.40 124.65 3iu4 s VAL 205 Ca 0.55 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.74 3iu4 s VAL 205 Cb -0.42 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3iu4 s VAL 205 CO 0.55 0.57 -0.21 -0.89 0.00 0.00 0.00 175.10 175.13 3iu4 s THR 206 N -0.67 1.81 0.04 3.92 2.01 -1.26 -0.06 115.64 121.43 3iu4 s THR 206 Ca 0.13 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.31 3iu4 s THR 206 Cb -0.12 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3iu4 s THR 206 CO 0.02 0.50 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.84 3iu4 s LYS 207 N 0.50 2.41 0.15 4.92 -0.14 -0.74 -4.97 119.74 121.87 3iu4 s LYS 207 Ca -0.16 -0.82 -0.16 0.00 -1.36 0.00 0.00 55.97 53.47 3iu4 s LYS 207 Cb -0.17 -2.43 0.03 0.00 -1.68 0.00 0.00 37.83 33.58 3iu4 s LYS 207 CO 0.06 0.57 0.43 -1.54 -0.76 0.00 0.00 175.35 174.11 3iu4 s SER 208 N -1.67 -0.22 0.06 2.83 1.04 -1.26 -0.72 113.70 113.76 3iu4 s SER 208 Ca 0.19 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 3iu4 s SER 208 Cb -0.11 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3iu4 s SER 208 CO 0.10 -0.92 0.02 0.72 0.98 0.00 0.00 173.24 174.14 3iu4 s PHE 209 N -3.84 0.43 -0.22 5.02 -0.71 -0.51 -5.00 117.98 113.15 3iu4 s PHE 209 Ca 0.06 -0.95 -0.07 0.00 -1.04 0.00 0.00 56.93 54.93 3iu4 s PHE 209 Cb 0.01 -0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 3iu4 s PHE 209 CO -0.08 -0.42 0.06 -0.80 -1.34 0.00 0.00 175.22 172.64 3iu4 s ASN 210 N -2.90 5.26 0.19 1.98 0.01 -1.26 -0.93 114.94 117.29 3iu4 s ASN 210 Ca 0.06 -0.10 -0.33 0.00 -0.71 0.00 0.00 52.86 51.78 3iu4 s ASN 210 Cb 0.07 -1.92 -0.13 0.00 0.41 0.00 0.00 41.25 39.68 3iu4 s ASN 210 CO -0.10 0.06 1.58 -1.14 -1.51 0.00 0.00 177.10 175.99 3iu4 n ARG 211 N 4.29 2.28 -0.79 -0.60 0.63 0.09 -1.81 116.66 120.76 3iu4 n ARG 211 Ca -0.16 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 3iu4 n ARG 211 Cb 0.52 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.84 3iu4 n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iu4 n GLY 212 N 3.25 0.85 0.00 5.14 0.00 -1.26 -4.99 105.19 108.18 3iu4 n GLY 212 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3iu4 n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50