#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu3 s ILE 2 N 0.00 2.44 -0.03 1.69 1.01 -1.26 -5.04 121.20 120.01 3iu3 s ILE 2 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.04 3iu3 s ILE 2 Cb 0.00 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 3iu3 s ILE 2 CO 0.00 0.02 -0.14 -0.69 0.00 0.00 0.00 174.94 174.13 3iu3 s VAL 3 N -1.34 1.13 -0.15 2.92 1.01 -1.26 -4.77 120.40 117.94 3iu3 s VAL 3 Ca 0.65 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3iu3 s VAL 3 Cb -0.37 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3iu3 s VAL 3 CO 0.46 0.33 0.04 -0.44 0.00 0.00 0.00 175.10 175.49 3iu3 s SER 4 N -0.03 5.44 -0.11 3.32 0.01 -1.26 -2.09 113.70 118.98 3iu3 s SER 4 Ca -0.01 0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.36 3iu3 s SER 4 Cb -0.09 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.31 3iu3 s SER 4 CO 0.01 0.23 -0.20 -0.89 0.41 0.00 0.00 173.24 172.80 3iu3 s THR 5 N 0.03 1.79 0.02 1.44 2.01 0.05 -4.16 115.64 116.81 3iu3 s THR 5 Ca 0.04 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.24 3iu3 s THR 5 Cb -0.12 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3iu3 s THR 5 CO 0.01 0.50 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.27 3iu3 s GLN 6 N 0.65 2.50 -0.06 4.92 -0.21 -1.26 -0.00 119.66 126.19 3iu3 s GLN 6 Ca -0.13 -0.76 -0.04 0.00 0.02 0.00 0.00 55.36 54.46 3iu3 s GLN 6 Cb -0.16 -2.48 0.03 0.00 1.00 0.00 0.00 33.01 31.40 3iu3 s GLN 6 CO 0.03 0.59 0.15 0.45 -2.12 0.00 0.00 175.29 174.39 3iu3 s SER 7 N -1.52 -0.13 0.77 5.90 0.15 -0.63 -4.52 113.70 113.72 3iu3 s SER 7 Ca 0.18 0.31 -0.08 0.00 0.70 0.00 0.00 55.95 57.05 3iu3 s SER 7 Cb -0.11 0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.53 3iu3 s SER 7 CO 0.08 -0.12 1.09 -2.16 1.20 0.00 0.00 173.24 173.33 3iu3 s PRO 8 N 0.83 1.84 -0.03 5.44 0.05 -1.26 -0.72 135.00 141.15 3iu3 s PRO 8 Ca -0.06 -0.32 -0.25 0.00 0.05 0.00 0.00 61.00 60.41 3iu3 s PRO 8 Cb -0.08 -2.10 -0.21 0.00 0.05 0.00 0.00 34.50 32.16 3iu3 s PRO 8 CO -0.04 -1.51 1.17 0.00 0.05 0.00 0.00 177.00 176.66 3iu3 h ALA 9 N -0.84 0.04 -3.79 8.56 0.00 -1.81 -3.39 119.26 118.04 3iu3 h ALA 9 Ca -0.44 -0.34 -0.45 0.00 0.00 0.00 0.00 54.91 53.68 3iu3 h ALA 9 Cb 1.30 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.83 3iu3 h ALA 9 CO 0.55 -0.09 -0.80 0.42 0.00 0.00 0.00 179.25 179.33 3iu3 s ILE 10 N -3.76 1.14 0.09 0.00 1.01 -1.26 -0.59 121.20 117.83 3iu3 s ILE 10 Ca -0.16 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 59.25 3iu3 s ILE 10 Cb 0.01 -1.03 0.07 0.00 0.01 0.00 0.00 42.46 41.52 3iu3 s ILE 10 CO 0.70 0.03 0.60 0.00 0.00 0.00 0.00 174.94 176.27 3iu3 s MET 11 N -1.10 1.19 -0.02 2.79 0.23 -0.72 -4.95 119.30 116.72 3iu3 s MET 11 Ca 0.02 -0.28 0.06 0.00 -1.03 0.00 0.00 55.69 54.46 3iu3 s MET 11 Cb -0.08 0.55 -0.01 0.00 -1.53 0.00 0.00 34.83 33.76 3iu3 s MET 11 CO 0.01 -0.48 -0.20 -1.12 -2.03 0.00 0.00 175.02 171.20 3iu3 s SER 12 N -2.28 2.39 -0.03 -1.18 0.01 -1.26 -0.92 113.70 110.43 3iu3 s SER 12 Ca -0.03 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.90 3iu3 s SER 12 Cb -0.01 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.91 3iu3 s SER 12 CO -0.06 0.24 -0.13 0.00 0.41 0.00 0.00 173.24 173.70 3iu3 s ALA 13 N -0.43 1.17 0.38 1.44 0.00 -0.10 -4.74 121.76 119.48 3iu3 s ALA 13 Ca 0.07 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 3iu3 s ALA 13 Cb -0.08 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 3iu3 s ALA 13 CO -0.00 0.23 1.01 -1.12 0.00 0.00 0.00 175.76 175.88 3iu3 s SER 14 N -0.04 6.97 0.15 0.00 0.01 -1.26 -0.49 113.70 119.04 3iu3 s SER 14 Ca -0.00 1.94 -0.34 0.00 1.31 0.00 0.00 55.95 58.86 3iu3 s SER 14 Cb -0.08 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.41 3iu3 s SER 14 CO 0.01 -0.34 1.31 -2.65 0.41 0.00 0.00 173.24 171.98 3iu3 n PRO 15 N 0.10 1.42 -0.13 12.44 -0.02 -1.26 -1.39 135.00 146.15 3iu3 n PRO 15 Ca 0.04 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3iu3 n PRO 15 Cb 0.50 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3iu3 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu3 n GLY 16 N 2.38 1.33 3.82 -1.23 0.00 0.14 -4.91 105.19 106.73 3iu3 n GLY 16 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3iu3 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iu3 s GLU 17 N -0.49 3.95 0.02 1.61 2.02 -0.48 -4.41 118.70 120.92 3iu3 s GLU 17 Ca 0.00 1.15 -0.29 0.00 0.02 0.00 0.00 54.97 55.85 3iu3 s GLU 17 Cb 0.00 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 3iu3 s GLU 17 CO 0.00 -0.28 0.93 0.21 0.02 0.00 0.00 175.26 176.14 3iu3 s LYS 18 N -3.50 4.57 0.01 1.61 2.20 -1.26 0.14 119.74 123.51 3iu3 s LYS 18 Ca 0.63 1.35 0.08 0.00 -0.36 0.00 0.00 55.97 57.66 3iu3 s LYS 18 Cb -0.12 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3iu3 s LYS 18 CO 0.22 0.04 -0.23 0.14 -0.36 0.00 0.00 175.35 175.16 3iu3 s VAL 19 N 0.69 1.84 -0.04 4.02 -7.23 -0.64 -4.99 120.40 114.05 3iu3 s VAL 19 Ca 0.48 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.54 3iu3 s VAL 19 Cb -0.21 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.19 3iu3 s VAL 19 CO 0.27 0.39 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.52 3iu3 s THR 20 N -0.67 0.52 0.03 5.32 2.01 -1.26 -1.62 115.64 119.97 3iu3 s THR 20 Ca 0.09 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.05 3iu3 s THR 20 Cb -0.09 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 3iu3 s THR 20 CO 0.01 0.22 -0.24 0.00 -0.69 0.00 0.00 174.62 173.91 3iu3 s MET 21 N 0.85 1.71 0.19 4.92 0.23 -0.83 -4.86 119.30 121.52 3iu3 s MET 21 Ca -0.11 -1.02 0.09 0.00 -1.03 0.00 0.00 55.69 53.62 3iu3 s MET 21 Cb -0.14 -1.83 -0.04 0.00 -1.53 0.00 0.00 34.83 31.29 3iu3 s MET 21 CO 0.00 0.48 -0.06 0.95 -2.03 0.00 0.00 175.02 174.36 3iu3 s THR 22 N -0.76 3.34 -0.03 3.16 -4.23 0.10 -1.94 115.64 115.29 3iu3 s THR 22 Ca 0.10 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3iu3 s THR 22 Cb -0.10 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.07 3iu3 s THR 22 CO 0.01 -0.16 -0.06 0.00 -0.54 0.00 0.00 174.62 173.88 3iu3 s SER 24 N 0.43 3.02 0.07 0.00 0.01 1.00 -0.49 113.70 117.73 3iu3 s SER 24 Ca -0.06 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3iu3 s SER 24 Cb -0.10 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 3iu3 s SER 24 CO 0.00 0.29 0.22 0.00 0.41 0.00 0.00 173.24 174.16 3iu3 s ALA 25 N -0.67 4.01 0.04 1.44 0.00 -0.12 -0.77 121.76 125.69 3iu3 s ALA 25 Ca 0.10 -0.85 0.15 0.00 0.00 0.00 0.00 51.96 51.37 3iu3 s ALA 25 Cb -0.10 -1.83 0.32 0.00 0.00 0.00 0.00 23.12 21.51 3iu3 s ALA 25 CO 0.00 0.81 1.56 0.66 0.00 0.00 0.00 175.76 178.79 3iu3 h SER 26 N 3.03 0.00 -5.26 0.00 4.64 -1.74 -3.46 113.55 110.75 3iu3 h SER 26 Ca -0.45 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 3iu3 h SER 26 Cb 1.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 3iu3 h SER 26 CO 0.76 0.52 -0.44 -0.44 -0.87 0.00 0.00 176.83 176.35 3iu3 s SER 27 N -6.50 0.17 0.07 4.97 0.01 -1.26 -5.01 113.70 106.15 3iu3 s SER 27 Ca 0.02 -0.88 -0.37 0.00 1.31 0.00 0.00 55.95 56.03 3iu3 s SER 27 Cb 0.10 0.35 -0.18 0.00 0.21 0.00 0.00 66.02 66.50 3iu3 s SER 27 CO 0.73 -0.78 1.23 -1.20 0.41 0.00 0.00 173.24 173.64 3iu3 n SER 28 N -0.11 1.11 -4.44 2.44 7.64 -1.26 -4.79 113.62 114.21 3iu3 n SER 28 Ca -0.10 1.13 -0.27 0.00 1.01 0.00 0.00 58.87 60.64 3iu3 n SER 28 Cb 0.63 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.60 3iu3 n SER 28 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3iu3 s ARG 29 N 0.24 1.60 -0.06 1.43 0.52 0.55 -5.00 118.95 118.22 3iu3 s ARG 29 Ca 0.85 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 54.38 3iu3 s ARG 29 Cb -1.03 -1.90 -0.30 0.00 0.52 0.00 0.00 34.95 32.24 3iu3 s ARG 29 CO 0.50 0.41 0.81 0.77 0.02 0.00 0.00 175.30 177.81 3iu3 h SER 30 N 3.20 0.44 -5.00 0.23 0.02 -1.95 -3.35 113.55 107.15 3iu3 h SER 30 Ca -0.47 -0.93 -0.17 0.00 -0.84 0.00 0.00 61.79 59.39 3iu3 h SER 30 Cb 1.20 -0.14 -0.21 0.00 0.14 0.00 0.00 62.40 63.40 3iu3 h SER 30 CO 0.48 1.44 -0.69 -0.31 -1.14 0.00 0.00 176.83 176.62 3iu3 s TYR 31 N -2.44 0.27 -0.01 3.45 2.02 -1.26 -4.87 117.35 114.52 3iu3 s TYR 31 Ca -0.15 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.05 3iu3 s TYR 31 Cb 0.02 -0.20 -0.03 0.00 -0.40 0.00 0.00 41.96 41.35 3iu3 s TYR 31 CO 0.81 -0.21 -0.17 1.41 -1.57 0.00 0.00 175.55 175.83 3iu3 s MET 32 N -1.64 2.29 0.06 -0.62 -2.45 -1.26 -4.70 119.30 110.98 3iu3 s MET 32 Ca -0.14 -0.84 0.06 0.00 -1.25 0.00 0.00 55.69 53.52 3iu3 s MET 32 Cb -0.09 -2.27 -0.04 0.00 1.25 0.00 0.00 34.83 33.69 3iu3 s MET 32 CO -0.02 0.58 -0.13 -0.65 1.05 0.00 0.00 175.02 175.86 3iu3 s GLN 33 N -1.05 2.16 -0.04 4.11 1.11 0.25 0.09 119.66 126.29 3iu3 s GLN 33 Ca 0.13 -0.96 0.05 0.00 0.01 0.00 0.00 55.36 54.58 3iu3 s GLN 33 Cb -0.11 -2.29 -0.00 0.00 -1.01 0.00 0.00 33.01 29.61 3iu3 s GLN 33 CO 0.03 0.54 -0.18 -1.58 0.01 0.00 0.00 175.29 174.10 3iu3 s TRP 34 N -1.06 1.82 0.10 0.91 0.52 0.16 -0.03 118.94 121.36 3iu3 s TRP 34 Ca 0.18 -0.52 0.09 0.00 0.02 0.00 0.00 56.10 55.86 3iu3 s TRP 34 Cb -0.11 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 3iu3 s TRP 34 CO 0.09 -0.17 -0.19 0.71 0.02 0.00 0.00 176.95 177.41 3iu3 s TYR 35 N -0.00 2.52 0.02 -1.98 1.51 0.21 -1.38 117.35 118.24 3iu3 s TYR 35 Ca -0.04 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 3iu3 s TYR 35 Cb -0.12 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3iu3 s TYR 35 CO 0.02 0.34 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.63 3iu3 s GLN 36 N -1.94 2.61 -0.09 -0.62 0.74 0.72 -1.24 119.66 119.84 3iu3 s GLN 36 Ca 0.17 -0.72 -0.04 0.00 0.05 0.00 0.00 55.36 54.82 3iu3 s GLN 36 Cb -0.10 -2.55 0.05 0.00 1.10 0.00 0.00 33.01 31.50 3iu3 s GLN 36 CO 0.08 0.60 0.19 -1.14 -0.55 0.00 0.00 175.29 174.47 3iu3 s GLN 37 N -1.64 0.12 -0.01 1.67 0.74 0.15 -0.08 119.66 120.61 3iu3 s GLN 37 Ca 0.19 0.50 0.01 0.00 0.05 0.00 0.00 55.36 56.12 3iu3 s GLN 37 Cb -0.11 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.80 3iu3 s GLN 37 CO 0.10 -0.21 0.01 0.15 -0.55 0.00 0.00 175.29 174.80 3iu3 s LYS 38 N 1.56 2.83 0.62 1.67 1.02 -1.26 -1.38 119.74 124.80 3iu3 s LYS 38 Ca -0.06 -0.58 -0.19 0.00 0.02 0.00 0.00 55.97 55.17 3iu3 s LYS 38 Cb -0.11 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 3iu3 s LYS 38 CO -0.07 0.64 1.13 -2.30 -0.92 0.00 0.00 175.35 173.83 3iu3 n PRO 39 N 1.47 1.05 0.00 -1.68 -0.02 -1.26 -2.48 135.00 132.07 3iu3 n PRO 39 Ca -0.15 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3iu3 n PRO 39 Cb 0.53 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3iu3 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu3 n GLY 40 N 1.10 1.77 4.00 -1.23 0.00 -1.26 -4.97 105.19 104.60 3iu3 n GLY 40 Ca 0.14 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 3iu3 n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iu3 s THR 41 N -0.38 2.01 0.31 2.61 -1.32 -1.04 -5.13 115.64 112.71 3iu3 s THR 41 Ca 0.00 -0.65 0.07 0.00 -1.21 0.00 0.00 61.69 59.90 3iu3 s THR 41 Cb 0.00 -2.35 -0.03 0.00 -1.51 0.00 0.00 72.50 68.61 3iu3 s THR 41 CO 0.00 0.00 0.32 -0.94 -2.21 0.00 0.00 174.62 171.79 3iu3 s SER 42 N -4.80 5.56 0.56 8.08 1.04 -1.26 -4.75 113.70 118.13 3iu3 s SER 42 Ca 0.68 -0.34 -0.21 0.00 0.48 0.00 0.00 55.95 56.56 3iu3 s SER 42 Cb -0.04 -1.18 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 3iu3 s SER 42 CO 0.45 -0.29 1.30 -2.84 0.98 0.00 0.00 173.24 172.84 3iu3 s PRO 43 N -4.00 3.08 -0.05 4.02 0.02 -1.26 -4.70 135.00 132.10 3iu3 s PRO 43 Ca 0.40 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.53 3iu3 s PRO 43 Cb -0.07 -2.14 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 3iu3 s PRO 43 CO 0.27 -1.19 -0.17 0.21 -0.33 0.00 0.00 177.00 175.79 3iu3 s LYS 44 N -3.04 1.88 0.27 5.54 2.20 0.89 -4.94 119.74 122.54 3iu3 s LYS 44 Ca 0.74 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.45 3iu3 s LYS 44 Cb -0.37 -1.59 -0.13 0.00 -1.51 0.00 0.00 37.83 34.23 3iu3 s LYS 44 CO 0.42 0.20 1.29 2.89 -0.36 0.00 0.00 175.35 179.79 3iu3 n ARG 45 N 3.28 1.89 0.10 4.03 -4.01 -1.26 -0.20 116.66 120.48 3iu3 n ARG 45 Ca -0.19 0.67 0.00 0.00 -1.04 0.00 0.00 57.85 57.29 3iu3 n ARG 45 Cb 0.53 -2.24 0.00 0.00 -3.04 0.00 0.00 32.46 27.70 3iu3 n ARG 45 CO 0.00 0.00 0.00 1.87 -3.04 0.00 0.00 177.63 176.46 3iu3 n TRP 46 N 1.12 -1.26 -4.43 2.89 -0.00 -0.65 -4.76 117.44 110.34 3iu3 n TRP 46 Ca 0.09 0.22 -0.22 0.00 -0.00 0.00 0.00 57.50 57.60 3iu3 n TRP 46 Cb 0.32 0.29 -0.16 0.00 -0.00 0.00 0.00 31.31 31.77 3iu3 n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3iu3 s ILE 47 N -2.00 0.87 0.17 5.87 1.01 -0.48 -1.19 121.20 125.45 3iu3 s ILE 47 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.31 3iu3 s ILE 47 Cb 0.00 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 3iu3 s ILE 47 CO 0.00 0.28 -0.07 -0.72 0.00 0.00 0.00 174.94 174.43 3iu3 s TYR 48 N 0.37 1.36 -1.56 3.97 -0.85 -0.01 0.40 117.35 121.03 3iu3 s TYR 48 Ca -0.07 -0.81 -0.10 0.00 -0.52 0.00 0.00 57.07 55.57 3iu3 s TYR 48 Cb -0.11 -0.72 0.08 0.00 0.38 0.00 0.00 41.96 41.59 3iu3 s TYR 48 CO 0.01 0.04 0.65 -0.25 -1.52 0.00 0.00 175.55 174.48 3iu3 n ASP 49 N -0.27 -2.17 0.00 -0.18 8.00 -1.20 -1.43 116.55 119.30 3iu3 n ASP 49 Ca -0.09 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3iu3 n ASP 49 Cb 0.62 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 3iu3 n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3iu3 n THR 50 N -4.43 0.00 -0.11 -3.53 -1.04 0.11 -4.02 114.28 101.27 3iu3 n THR 50 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3iu3 n THR 50 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3iu3 n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3iu3 n SER 51 N 2.29 0.16 -4.65 8.00 3.41 -1.22 -3.52 113.62 118.09 3iu3 n SER 51 Ca 0.00 -0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 57.72 3iu3 n SER 51 Cb 0.00 0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 3iu3 n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iu3 s LYS 52 N -0.44 4.21 0.23 4.33 1.02 -0.51 -4.45 119.74 124.13 3iu3 s LYS 52 Ca 0.00 0.74 -0.30 0.00 0.02 0.00 0.00 55.97 56.43 3iu3 s LYS 52 Cb 0.00 -3.60 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 3iu3 s LYS 52 CO 0.00 -0.32 1.02 -0.51 -0.92 0.00 0.00 175.35 174.62 3iu3 s LEU 53 N 2.17 4.58 0.80 3.17 1.43 -1.26 -0.83 118.68 128.74 3iu3 s LEU 53 Ca 0.31 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 3iu3 s LEU 53 Cb -0.16 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.52 3iu3 s LEU 53 CO 0.10 -0.01 1.09 0.00 0.23 0.00 0.00 176.35 177.76 3iu3 s ALA 54 N -0.94 2.13 0.07 4.21 0.00 -0.33 -4.91 121.76 121.98 3iu3 s ALA 54 Ca 0.44 -0.01 -0.32 0.00 0.00 0.00 0.00 51.96 52.07 3iu3 s ALA 54 Cb -0.28 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3iu3 s ALA 54 CO 0.35 -1.82 1.85 0.43 0.00 0.00 0.00 175.76 176.57 3iu3 n SER 55 N -3.52 3.88 0.00 0.00 7.64 -1.26 -2.22 113.62 118.14 3iu3 n SER 55 Ca 0.08 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.93 3iu3 n SER 55 Cb 0.55 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3iu3 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu3 n GLY 56 N 4.25 2.50 3.72 0.23 0.00 -1.26 -5.06 105.19 109.57 3iu3 n GLY 56 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3iu3 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu3 s VAL 57 N -2.65 3.46 0.63 1.61 1.01 -0.94 -4.99 120.40 118.53 3iu3 s VAL 57 Ca 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 3iu3 s VAL 57 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3iu3 s VAL 57 CO 0.00 0.09 1.23 -2.84 0.00 0.00 0.00 175.10 173.58 3iu3 s PRO 58 N 0.91 2.71 0.40 2.72 0.02 -1.26 -4.90 135.00 135.59 3iu3 s PRO 58 Ca 0.62 1.87 0.29 0.00 0.02 0.00 0.00 61.00 63.80 3iu3 s PRO 58 Cb -0.35 -1.89 1.18 0.00 0.02 0.00 0.00 34.50 33.46 3iu3 s PRO 58 CO 0.31 -1.43 1.85 0.00 -0.33 0.00 0.00 177.00 177.40 3iu3 h ALA 59 N 0.57 1.00 0.00 -1.55 0.00 -2.00 -2.58 119.26 114.70 3iu3 h ALA 59 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3iu3 h ALA 59 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3iu3 h ALA 59 CO 0.54 0.00 0.00 0.07 0.00 0.00 0.00 179.25 179.86 3iu3 h ARG 60 N 0.00 0.00 -6.63 0.00 0.11 -1.95 -3.43 114.38 102.48 3iu3 h ARG 60 Ca 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 3iu3 h ARG 60 Cb 0.43 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 3iu3 h ARG 60 CO 0.00 0.00 0.24 -0.06 0.10 0.00 0.00 179.97 180.25 3iu3 s PHE 61 N -3.35 3.87 0.07 4.08 0.08 -0.97 -0.02 117.98 121.75 3iu3 s PHE 61 Ca 0.04 1.70 -0.10 0.00 0.12 0.00 0.00 56.93 58.69 3iu3 s PHE 61 Cb 0.09 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.73 3iu3 s PHE 61 CO 0.44 0.44 0.23 -1.54 -0.10 0.00 0.00 175.22 174.69 3iu3 s SER 62 N -1.27 0.03 -0.02 1.36 1.04 0.47 -4.97 113.70 110.34 3iu3 s SER 62 Ca 0.40 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.37 3iu3 s SER 62 Cb -0.23 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 3iu3 s SER 62 CO 0.27 -0.69 -0.11 -0.83 0.98 0.00 0.00 173.24 172.87 3iu3 s GLY 63 N -2.56 0.55 0.07 7.32 0.00 -1.26 0.09 107.32 111.53 3iu3 s GLY 63 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.29 3iu3 s GLY 63 CO -0.08 -0.30 0.08 -1.14 0.00 0.00 0.00 173.10 171.65 3iu3 n SER 64 N 2.96 -0.22 0.00 1.64 3.41 -0.29 -4.03 113.62 117.10 3iu3 n SER 64 Ca -0.15 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 3iu3 n SER 64 Cb 0.55 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 3iu3 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iu3 n GLY 65 N -0.13 1.62 3.62 5.00 0.00 -1.26 -1.56 105.19 112.47 3iu3 n GLY 65 Ca 0.01 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.73 3iu3 n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iu3 s SER 66 N 0.00 -0.28 0.00 1.61 0.15 0.51 -4.96 113.70 110.72 3iu3 s SER 66 Ca 0.00 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 3iu3 s SER 66 Cb 0.00 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 3iu3 s SER 66 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 3iu3 n GLY 67 N 1.23 0.51 0.00 9.45 0.00 -1.26 -1.88 105.19 113.25 3iu3 n GLY 67 Ca -0.09 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3iu3 n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3iu3 n THR 68 N 0.00 0.00 -4.71 2.61 5.66 -1.26 -0.33 114.28 116.25 3iu3 n THR 68 Ca 0.00 -0.37 -0.28 0.00 -3.05 0.00 0.00 64.05 60.35 3iu3 n THR 68 Cb 0.00 1.19 -0.17 0.00 -1.55 0.00 0.00 70.33 69.81 3iu3 n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3iu3 s SER 69 N -0.20 2.38 0.10 1.09 0.15 -0.78 -0.94 113.70 115.49 3iu3 s SER 69 Ca 0.00 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.24 3iu3 s SER 69 Cb 0.00 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.18 3iu3 s SER 69 CO 0.00 0.06 -0.04 -0.31 1.20 0.00 0.00 173.24 174.15 3iu3 s TYR 70 N 0.70 0.86 -0.15 3.44 1.51 0.36 -0.36 117.35 123.71 3iu3 s TYR 70 Ca -0.13 -0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 54.84 3iu3 s TYR 70 Cb -0.16 -0.51 0.05 0.00 -0.11 0.00 0.00 41.96 41.22 3iu3 s TYR 70 CO 0.03 -0.24 0.37 -1.12 -1.11 0.00 0.00 175.55 173.48 3iu3 s SER 71 N -3.04 -0.42 -0.12 2.29 0.01 -0.60 -0.84 113.70 110.99 3iu3 s SER 71 Ca 0.13 0.77 -0.05 0.00 1.31 0.00 0.00 55.95 58.11 3iu3 s SER 71 Cb 0.06 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.96 3iu3 s SER 71 CO -0.04 -0.16 0.06 -0.22 0.41 0.00 0.00 173.24 173.29 3iu3 s LEU 72 N 0.81 3.86 -0.01 2.44 0.20 -0.82 -1.14 118.68 124.03 3iu3 s LEU 72 Ca -0.05 0.22 0.05 0.00 0.69 0.00 0.00 54.13 55.04 3iu3 s LEU 72 Cb -0.06 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 3iu3 s LEU 72 CO -0.06 0.34 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.30 3iu3 s THR 73 N -0.62 1.17 -0.27 3.68 2.01 0.11 -1.97 115.64 119.75 3iu3 s THR 73 Ca 0.11 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 3iu3 s THR 73 Cb -0.12 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.44 3iu3 s THR 73 CO 0.02 0.33 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.64 3iu3 s ILE 74 N -0.34 3.18 0.23 1.82 1.01 -0.64 -0.40 121.20 126.07 3iu3 s ILE 74 Ca 0.06 -1.00 0.26 0.00 0.00 0.00 0.00 60.65 59.97 3iu3 s ILE 74 Cb -0.06 -2.66 0.26 0.00 0.01 0.00 0.00 42.46 40.02 3iu3 s ILE 74 CO -0.01 0.12 1.92 0.77 0.00 0.00 0.00 174.94 177.74 3iu3 h SER 75 N 8.07 0.00 -1.48 3.58 4.64 -0.73 -1.70 113.55 125.93 3iu3 h SER 75 Ca -0.30 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.91 3iu3 h SER 75 Cb 1.10 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.93 3iu3 h SER 75 CO 0.58 0.18 -0.47 -0.55 -0.87 0.00 0.00 176.83 175.69 3iu3 s SER 76 N -6.13 -0.30 0.27 4.97 0.15 -1.26 -4.22 113.70 107.19 3iu3 s SER 76 Ca -0.01 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.26 3iu3 s SER 76 Cb 0.11 1.43 -0.12 0.00 -1.71 0.00 0.00 66.02 65.74 3iu3 s SER 76 CO 0.61 -0.33 1.60 0.80 1.20 0.00 0.00 173.24 177.12 3iu3 n MET 77 N 5.38 2.64 -4.30 5.44 1.56 0.12 -4.67 117.12 123.30 3iu3 n MET 77 Ca 0.01 0.94 -0.17 0.00 -0.27 0.00 0.00 57.70 58.21 3iu3 n MET 77 Cb 0.51 -2.72 -0.10 0.00 2.15 0.00 0.00 33.22 33.05 3iu3 n MET 77 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3iu3 s GLU 78 N -0.24 1.19 0.35 2.12 2.02 -1.26 0.28 118.70 123.16 3iu3 s GLU 78 Ca 0.66 -1.48 0.07 0.00 0.02 0.00 0.00 54.97 54.24 3iu3 s GLU 78 Cb -0.51 -0.94 0.76 0.00 0.10 0.00 0.00 34.13 33.54 3iu3 s GLU 78 CO 0.46 0.15 1.89 0.00 0.02 0.00 0.00 175.26 177.79 3iu3 h ALA 79 N 2.82 1.76 0.00 5.21 0.00 -1.98 -0.03 119.26 127.04 3iu3 h ALA 79 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3iu3 h ALA 79 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3iu3 h ALA 79 CO 0.60 0.04 0.00 0.39 0.00 0.00 0.00 179.25 180.28 3iu3 n GLU 80 N -4.53 0.05 0.00 0.00 4.71 -1.26 -2.35 120.64 117.26 3iu3 n GLU 80 Ca 0.15 0.30 0.11 0.00 -0.01 0.00 0.00 57.16 57.71 3iu3 n GLU 80 Cb 0.38 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.35 3iu3 n GLU 80 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3iu3 n ASP 81 N -1.37 1.11 -4.59 1.62 8.00 -0.02 -4.87 116.55 116.42 3iu3 n ASP 81 Ca 0.02 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 3iu3 n ASP 81 Cb 0.06 0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 3iu3 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iu3 s ALA 82 N -2.84 2.60 0.23 2.24 0.00 -0.99 -4.86 121.76 118.15 3iu3 s ALA 82 Ca 0.13 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 3iu3 s ALA 82 Cb 0.17 -4.10 0.06 0.00 0.00 0.00 0.00 23.12 19.24 3iu3 s ALA 82 CO 0.73 -3.03 0.75 0.00 0.00 0.00 0.00 175.76 174.21 3iu3 n ALA 83 N 11.69 -1.84 -2.88 0.00 0.00 -1.03 -4.92 120.51 121.52 3iu3 n ALA 83 Ca 0.27 -0.93 -0.35 0.00 0.00 0.00 0.00 53.44 52.43 3iu3 n ALA 83 Cb 0.48 0.63 -0.11 0.00 0.00 0.00 0.00 19.45 20.45 3iu3 n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iu3 s THR 84 N -2.21 4.50 -0.14 0.00 2.01 -0.48 0.26 115.64 119.58 3iu3 s THR 84 Ca 0.16 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 3iu3 s THR 84 Cb -0.03 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 3iu3 s THR 84 CO 0.07 0.45 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.07 3iu3 s TYR 85 N 0.53 2.94 -0.09 4.92 2.02 0.00 -0.67 117.35 127.00 3iu3 s TYR 85 Ca 0.02 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 3iu3 s TYR 85 Cb -0.13 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3iu3 s TYR 85 CO 0.01 -0.09 -0.14 0.71 -1.57 0.00 0.00 175.55 174.48 3iu3 s TYR 86 N 0.32 2.75 0.35 2.71 2.02 -0.37 -0.70 117.35 124.43 3iu3 s TYR 86 Ca -0.06 -0.42 -0.09 0.00 -0.37 0.00 0.00 57.07 56.13 3iu3 s TYR 86 Cb -0.15 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.61 3iu3 s TYR 86 CO 0.04 -0.03 0.68 0.00 -1.57 0.00 0.00 175.55 174.68 3iu3 s HIS 88 N -2.22 -0.38 0.04 0.00 2.46 0.95 -0.28 115.29 115.85 3iu3 s HIS 88 Ca 0.49 0.31 -0.11 0.00 0.47 0.00 0.00 55.06 56.22 3iu3 s HIS 88 Cb -0.10 0.35 0.01 0.00 -0.13 0.00 0.00 32.58 32.70 3iu3 s HIS 88 CO 0.30 -0.68 0.22 1.14 -2.47 0.00 0.00 174.74 173.25 3iu3 s GLN 89 N -2.92 0.70 0.33 2.88 1.03 -1.23 -0.58 119.66 119.88 3iu3 s GLN 89 Ca -0.03 -0.57 0.18 0.00 0.04 0.00 0.00 55.36 54.98 3iu3 s GLN 89 Cb -0.00 0.30 0.26 0.00 0.03 0.00 0.00 33.01 33.59 3iu3 s GLN 89 CO -0.06 -0.21 1.54 0.00 -2.54 0.00 0.00 175.29 174.03 3iu3 h ARG 90 N 3.47 0.00 0.04 9.60 3.08 -1.94 -1.53 114.38 127.11 3iu3 h ARG 90 Ca -0.32 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.74 3iu3 h ARG 90 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3iu3 h ARG 90 CO 0.47 0.37 -0.08 0.77 -1.07 0.00 0.00 179.97 180.44 3iu3 h SER 91 N 0.00 -0.21 0.00 7.04 0.02 -1.98 -3.35 113.55 115.07 3iu3 h SER 91 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3iu3 h SER 91 Cb 1.21 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3iu3 h SER 91 CO 0.05 -0.12 0.00 -1.54 -1.14 0.00 0.00 176.83 174.08 3iu3 n SER 92 N -5.19 0.47 -1.31 3.07 3.41 -1.26 -5.01 113.62 107.80 3iu3 n SER 92 Ca -0.07 -0.78 -0.16 0.00 -0.26 0.00 0.00 58.87 57.60 3iu3 n SER 92 Cb 0.12 0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 3iu3 n SER 92 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3iu3 n TYR 93 N -0.24 -0.09 -3.09 7.33 4.02 -0.57 -4.98 117.16 119.54 3iu3 n TYR 93 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 3iu3 n TYR 93 Cb 0.05 -2.87 -0.06 0.00 -0.02 0.00 0.00 39.34 36.43 3iu3 n TYR 93 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3iu3 s THR 94 N -2.63 4.63 0.13 -0.72 -1.32 -1.26 -4.84 115.64 109.63 3iu3 s THR 94 Ca 0.00 1.04 0.02 0.00 -1.21 0.00 0.00 61.69 61.54 3iu3 s THR 94 Cb 0.00 -3.61 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 3iu3 s THR 94 CO 0.00 -0.20 0.23 -0.36 -2.21 0.00 0.00 174.62 172.08 3iu3 s PHE 95 N -2.01 3.42 1.21 9.09 0.40 -1.26 -3.55 117.98 125.28 3iu3 s PHE 95 Ca 0.55 0.12 -0.20 0.00 -0.60 0.00 0.00 56.93 56.80 3iu3 s PHE 95 Cb -0.10 -1.66 0.30 0.00 0.51 0.00 0.00 43.02 42.07 3iu3 s PHE 95 CO 0.17 0.53 1.07 0.41 0.70 0.00 0.00 175.22 178.10 3iu3 n GLY 96 N -0.27 -2.78 0.11 4.36 0.00 0.62 -4.39 105.19 102.84 3iu3 n GLY 96 Ca -0.07 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.59 3iu3 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu3 n GLY 97 N -4.66 -1.69 0.00 -0.02 0.00 -1.26 -4.81 105.19 92.75 3iu3 n GLY 97 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3iu3 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu3 n GLY 98 N 1.24 -1.07 3.24 -0.02 0.00 -1.26 -5.01 105.19 102.31 3iu3 n GLY 98 Ca 0.05 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 3iu3 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu3 s THR 99 N -2.10 2.68 -0.31 2.61 2.01 0.12 -4.60 115.64 116.05 3iu3 s THR 99 Ca 0.00 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 3iu3 s THR 99 Cb 0.00 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 3iu3 s THR 99 CO 0.00 0.50 0.52 -0.75 -0.69 0.00 0.00 174.62 174.20 3iu3 s LYS 100 N 1.10 3.85 -0.19 4.92 2.20 0.24 -0.82 119.74 131.05 3iu3 s LYS 100 Ca 0.00 0.09 -0.13 0.00 -0.36 0.00 0.00 55.97 55.56 3iu3 s LYS 100 Cb -0.14 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3iu3 s LYS 100 CO -0.04 -0.50 0.28 -1.17 -0.36 0.00 0.00 175.35 173.55 3iu3 s LEU 101 N 2.37 4.20 0.27 5.43 2.96 0.14 -1.75 118.68 132.29 3iu3 s LEU 101 Ca 0.20 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 3iu3 s LEU 101 Cb -0.15 -2.33 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 3iu3 s LEU 101 CO 0.11 0.06 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.58 3iu3 s GLU 102 N 0.76 1.48 -0.10 1.98 2.02 -0.10 -2.46 118.70 122.28 3iu3 s GLU 102 Ca 0.15 -1.76 -0.22 0.00 0.02 0.00 0.00 54.97 53.15 3iu3 s GLU 102 Cb -0.13 -0.88 -0.03 0.00 0.10 0.00 0.00 34.13 33.18 3iu3 s GLU 102 CO 0.04 -0.06 0.67 0.42 0.02 0.00 0.00 175.26 176.35 3iu3 s ILE 103 N -3.23 5.05 -0.01 -1.63 -1.09 -1.26 -0.92 121.20 118.11 3iu3 s ILE 103 Ca 0.30 1.35 -0.22 0.00 -2.23 0.00 0.00 60.65 59.84 3iu3 s ILE 103 Cb 0.05 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 3iu3 s ILE 103 CO 0.11 0.22 0.67 -0.75 -1.23 0.00 0.00 174.94 173.96 3iu3 s LYS 104 N 1.06 4.40 0.25 2.79 2.20 0.36 -4.76 119.74 126.04 3iu3 s LYS 104 Ca 0.34 0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 56.79 3iu3 s LYS 104 Cb -0.17 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3iu3 s LYS 104 CO 0.15 0.27 0.30 -0.98 -0.36 0.00 0.00 175.35 174.73 3iu3 s ARG 105 N 0.10 1.49 0.79 4.03 1.70 -1.26 -4.32 118.95 121.47 3iu3 s ARG 105 Ca 0.35 -1.61 -0.12 0.00 -0.47 0.00 0.00 55.73 53.87 3iu3 s ARG 105 Cb -0.19 0.36 0.07 0.00 -0.57 0.00 0.00 34.95 34.62 3iu3 s ARG 105 CO 0.19 -0.56 1.15 0.95 -1.08 0.00 0.00 175.30 175.95 3iu3 s THR 106 N -3.83 2.57 0.23 4.99 -4.23 -1.26 -4.94 115.64 109.16 3iu3 s THR 106 Ca 0.34 0.22 -0.31 0.00 -1.18 0.00 0.00 61.69 60.77 3iu3 s THR 106 Cb 0.03 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 3iu3 s THR 106 CO 0.15 -0.20 1.50 -0.69 -0.54 0.00 0.00 174.62 174.84 3iu3 s VAL 107 N -2.45 2.58 -0.11 2.29 1.01 -1.26 -4.78 120.40 117.68 3iu3 s VAL 107 Ca 0.68 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 3iu3 s VAL 107 Cb -0.23 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.88 3iu3 s VAL 107 CO 0.51 0.06 -0.08 0.00 0.00 0.00 0.00 175.10 175.59 3iu3 s ALA 108 N 0.37 1.32 0.40 5.51 0.00 -0.48 -4.92 121.76 123.95 3iu3 s ALA 108 Ca 0.63 -0.53 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 3iu3 s ALA 108 Cb -0.43 -0.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.74 3iu3 s ALA 108 CO 0.40 -0.35 1.18 0.00 0.00 0.00 0.00 175.76 176.98 3iu3 s ALA 109 N 1.58 3.15 0.55 0.00 0.00 -1.26 -0.92 121.76 124.86 3iu3 s ALA 109 Ca 0.03 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 3iu3 s ALA 109 Cb -0.13 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 3iu3 s ALA 109 CO -0.07 -0.56 1.04 -1.25 0.00 0.00 0.00 175.76 174.92 3iu3 s PRO 110 N -2.31 3.57 0.07 0.00 0.04 -1.26 -4.61 135.00 130.50 3iu3 s PRO 110 Ca 0.57 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 3iu3 s PRO 110 Cb -0.31 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 3iu3 s PRO 110 CO 0.39 -0.60 0.61 -1.12 0.04 0.00 0.00 177.00 176.32 3iu3 s SER 111 N -2.60 7.10 -0.18 6.66 0.01 -0.51 -4.85 113.70 119.33 3iu3 s SER 111 Ca 0.64 1.31 -0.01 0.00 1.31 0.00 0.00 55.95 59.20 3iu3 s SER 111 Cb -0.15 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 3iu3 s SER 111 CO 0.31 0.23 -0.12 -0.69 0.41 0.00 0.00 173.24 173.38 3iu3 s VAL 112 N -0.92 2.87 0.13 3.43 1.01 -1.26 -0.56 120.40 125.09 3iu3 s VAL 112 Ca 0.31 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3iu3 s VAL 112 Cb -0.20 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3iu3 s VAL 112 CO 0.20 0.49 -0.19 -0.36 0.00 0.00 0.00 175.10 175.24 3iu3 s PHE 113 N 1.06 1.72 0.02 5.22 0.08 -0.35 -5.00 117.98 120.73 3iu3 s PHE 113 Ca -0.00 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.61 3iu3 s PHE 113 Cb -0.15 -0.90 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3iu3 s PHE 113 CO -0.03 0.24 -0.08 -1.50 -0.10 0.00 0.00 175.22 173.76 3iu3 s ILE 114 N -1.67 0.61 -0.18 0.64 2.07 -1.26 -0.91 121.20 120.50 3iu3 s ILE 114 Ca 0.10 -0.67 -0.01 0.00 -1.41 0.00 0.00 60.65 58.67 3iu3 s ILE 114 Cb -0.08 -0.58 0.05 0.00 0.13 0.00 0.00 42.46 41.98 3iu3 s ILE 114 CO 0.05 -0.07 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.61 3iu3 s PHE 115 N -0.69 1.76 0.75 3.50 0.08 0.29 -5.01 117.98 118.65 3iu3 s PHE 115 Ca -0.02 -1.18 -0.12 0.00 0.12 0.00 0.00 56.93 55.72 3iu3 s PHE 115 Cb -0.06 -1.33 0.05 0.00 -0.57 0.00 0.00 43.02 41.11 3iu3 s PHE 115 CO 0.00 -0.64 1.12 -2.14 -0.10 0.00 0.00 175.22 173.46 3iu3 s PRO 116 N 1.61 2.24 0.45 0.24 0.02 -1.26 -2.17 135.00 136.13 3iu3 s PRO 116 Ca -0.01 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.12 3iu3 s PRO 116 Cb -0.16 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 3iu3 s PRO 116 CO -0.07 -1.68 1.41 -2.14 -0.33 0.00 0.00 177.00 174.18 3iu3 s PRO 117 N -4.51 3.69 0.52 5.54 0.02 -1.25 -4.89 135.00 134.12 3iu3 s PRO 117 Ca 0.65 2.38 -0.18 0.00 0.02 0.00 0.00 61.00 63.87 3iu3 s PRO 117 Cb -0.20 -2.65 -0.07 0.00 0.02 0.00 0.00 34.50 31.60 3iu3 s PRO 117 CO 0.51 -0.80 1.02 -1.54 -0.33 0.00 0.00 177.00 175.86 3iu3 s SER 118 N -0.56 6.32 0.42 2.53 1.04 -1.26 -4.92 113.70 117.27 3iu3 s SER 118 Ca 0.61 1.76 0.11 0.00 0.48 0.00 0.00 55.95 58.90 3iu3 s SER 118 Cb -0.43 -2.53 0.89 0.00 0.10 0.00 0.00 66.02 64.05 3iu3 s SER 118 CO 0.55 -0.79 1.98 0.44 0.98 0.00 0.00 173.24 176.39 3iu3 h ASP 119 N 1.05 0.20 -0.90 7.02 5.19 -1.98 -0.62 116.42 126.38 3iu3 h ASP 119 Ca -0.48 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 3iu3 h ASP 119 Cb 1.20 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 3iu3 h ASP 119 CO 0.59 0.30 0.49 -0.33 -3.12 0.00 0.00 179.24 177.17 3iu3 h GLU 120 N 0.21 1.26 -0.11 3.56 3.07 -2.00 -1.78 114.58 118.78 3iu3 h GLU 120 Ca 0.05 -0.15 -0.20 0.00 -0.50 0.00 0.00 59.36 58.56 3iu3 h GLU 120 Cb 0.25 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3iu3 h GLU 120 CO 0.01 0.92 -0.75 0.37 -1.40 0.00 0.00 179.01 178.16 3iu3 h GLN 121 N 1.26 0.59 -0.25 2.33 4.15 -1.70 -3.16 115.11 118.33 3iu3 h GLN 121 Ca 0.32 -0.48 -0.04 0.00 0.77 0.00 0.00 58.65 59.22 3iu3 h GLN 121 Cb 0.03 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3iu3 h GLN 121 CO -0.05 1.10 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.86 3iu3 h LEU 122 N 0.40 0.34 -0.31 -2.39 3.38 -0.66 -1.93 115.31 114.14 3iu3 h LEU 122 Ca -0.04 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 3iu3 h LEU 122 Cb 1.35 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3iu3 h LEU 122 CO 0.14 0.42 -0.78 0.50 0.09 0.00 0.00 178.44 178.81 3iu3 h LYS 123 N 0.36 0.49 -0.66 1.13 3.64 -1.40 -3.29 116.57 116.83 3iu3 h LYS 123 Ca 0.08 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3iu3 h LYS 123 Cb 0.27 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3iu3 h LYS 123 CO 0.01 1.05 0.42 0.77 -2.27 0.00 0.00 179.45 179.44 3iu3 h SER 124 N 0.32 0.77 0.00 4.20 0.02 -1.32 -3.47 113.55 114.08 3iu3 h SER 124 Ca -0.04 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3iu3 h SER 124 Cb 1.37 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3iu3 h SER 124 CO 0.14 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 177.02 3iu3 n GLY 125 N -1.39 1.35 3.73 -3.77 0.00 -1.06 -5.10 105.19 98.95 3iu3 n GLY 125 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3iu3 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iu3 s THR 126 N -1.70 3.64 -0.08 2.61 -4.23 -1.23 -1.17 115.64 113.49 3iu3 s THR 126 Ca 0.00 -1.68 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3iu3 s THR 126 Cb 0.00 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.83 3iu3 s THR 126 CO 0.00 -0.31 0.12 0.00 -0.54 0.00 0.00 174.62 173.88 3iu3 s ALA 127 N -2.29 0.05 -0.24 3.99 0.00 0.06 -3.93 121.76 119.39 3iu3 s ALA 127 Ca 0.34 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 3iu3 s ALA 127 Cb -0.06 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.32 3iu3 s ALA 127 CO 0.22 -0.61 -0.09 -1.12 0.00 0.00 0.00 175.76 174.16 3iu3 s SER 128 N 2.23 4.14 -0.22 0.00 0.01 -1.26 -0.52 113.70 118.08 3iu3 s SER 128 Ca 0.04 -0.93 -0.15 0.00 1.31 0.00 0.00 55.95 56.22 3iu3 s SER 128 Cb -0.12 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 3iu3 s SER 128 CO -0.05 -0.12 0.38 -0.69 0.41 0.00 0.00 173.24 173.17 3iu3 s VAL 129 N 1.28 5.20 -0.18 3.43 1.01 0.49 -3.97 120.40 127.66 3iu3 s VAL 129 Ca -0.01 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 3iu3 s VAL 129 Cb -0.17 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3iu3 s VAL 129 CO -0.06 0.23 -0.07 -0.69 0.00 0.00 0.00 175.10 174.51 3iu3 s VAL 130 N 1.51 3.39 -0.19 2.92 1.01 -0.92 0.12 120.40 128.25 3iu3 s VAL 130 Ca 0.17 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3iu3 s VAL 130 Cb -0.15 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3iu3 s VAL 130 CO 0.08 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 3iu3 s LEU 132 N 1.05 2.84 -0.34 0.00 2.96 -0.09 -0.46 118.68 124.63 3iu3 s LEU 132 Ca 0.00 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 3iu3 s LEU 132 Cb -0.15 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.89 3iu3 s LEU 132 CO -0.00 0.08 0.13 -0.76 -1.32 0.00 0.00 176.35 174.48 3iu3 s LEU 133 N 0.86 4.38 -0.15 -0.68 1.02 0.10 -1.22 118.68 123.00 3iu3 s LEU 133 Ca -0.02 -1.04 -0.05 0.00 0.02 0.00 0.00 54.13 53.04 3iu3 s LEU 133 Cb -0.15 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 3iu3 s LEU 133 CO 0.01 -0.33 0.01 0.21 0.02 0.00 0.00 176.35 176.27 3iu3 s ASN 134 N 1.46 5.22 -0.65 2.29 3.04 0.27 -0.61 114.94 125.95 3iu3 s ASN 134 Ca -0.00 0.02 -0.10 0.00 0.04 0.00 0.00 52.86 52.81 3iu3 s ASN 134 Cb -0.19 -1.78 0.01 0.00 -1.54 0.00 0.00 41.25 37.76 3iu3 s ASN 134 CO 0.04 0.22 0.64 0.59 -3.04 0.00 0.00 177.10 175.56 3iu3 n ASN 135 N 3.18 -6.50 -4.25 -4.21 4.13 -1.05 -1.43 115.26 105.13 3iu3 n ASN 135 Ca -0.17 -0.25 -0.15 0.00 1.68 0.00 0.00 54.58 55.69 3iu3 n ASN 135 Cb 0.53 -3.54 -0.10 0.00 -1.54 0.00 0.00 39.78 35.13 3iu3 n ASN 135 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3iu3 s PHE 136 N -2.64 1.30 -0.10 3.10 -0.71 -0.08 -4.48 117.98 114.37 3iu3 s PHE 136 Ca 0.12 -0.71 -0.07 0.00 -1.04 0.00 0.00 56.93 55.22 3iu3 s PHE 136 Cb -0.02 -0.66 0.03 0.00 -1.21 0.00 0.00 43.02 41.16 3iu3 s PHE 136 CO 0.82 0.11 0.24 -0.47 -1.34 0.00 0.00 175.22 174.58 3iu3 s TYR 137 N -3.09 -0.29 0.69 3.49 6.14 -0.10 -0.63 117.35 123.56 3iu3 s TYR 137 Ca 0.15 0.70 -0.08 0.00 0.64 0.00 0.00 57.07 58.48 3iu3 s TYR 137 Cb 0.01 0.08 0.15 0.00 0.42 0.00 0.00 41.96 42.62 3iu3 s TYR 137 CO 0.01 -0.16 0.94 -0.35 0.64 0.00 0.00 175.55 176.63 3iu3 n PRO 138 N 3.35 -0.59 -0.31 4.97 -0.04 -1.26 -1.39 135.00 139.73 3iu3 n PRO 138 Ca -0.17 -1.82 -0.02 0.00 -0.04 0.00 0.00 63.50 61.46 3iu3 n PRO 138 Cb 0.57 -0.85 0.14 0.00 -0.04 0.00 0.00 33.50 33.32 3iu3 n PRO 138 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3iu3 h ARG 139 N 0.00 1.19 -6.11 0.54 2.43 -1.98 -3.43 114.38 107.03 3iu3 h ARG 139 Ca -0.30 -0.10 -0.65 0.00 -0.81 0.00 0.00 59.98 58.11 3iu3 h ARG 139 Cb 0.94 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3iu3 h ARG 139 CO 0.25 0.83 1.25 -1.91 -1.51 0.00 0.00 179.97 178.88 3iu3 n GLU 140 N -4.37 1.57 -3.59 0.20 2.13 -1.26 -4.92 120.64 110.40 3iu3 n GLU 140 Ca 0.10 0.51 -0.16 0.00 0.66 0.00 0.00 57.16 58.27 3iu3 n GLU 140 Cb 0.05 -2.56 -0.06 0.00 0.27 0.00 0.00 31.44 29.13 3iu3 n GLU 140 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iu3 s ALA 141 N 5.80 -1.45 -0.08 4.31 0.00 -1.26 -4.55 121.76 124.53 3iu3 s ALA 141 Ca 1.01 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.93 3iu3 s ALA 141 Cb -0.77 0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.46 3iu3 s ALA 141 CO 0.51 -0.37 -0.09 0.21 0.00 0.00 0.00 175.76 176.02 3iu3 s LYS 142 N -1.47 1.46 -0.19 0.00 2.20 -0.17 -5.00 119.74 116.58 3iu3 s LYS 142 Ca -0.11 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 3iu3 s LYS 142 Cb -0.01 -1.36 0.04 0.00 -1.51 0.00 0.00 37.83 34.99 3iu3 s LYS 142 CO 0.06 -0.10 -0.08 0.08 -0.36 0.00 0.00 175.35 174.95 3iu3 s VAL 143 N 1.11 1.38 0.20 4.02 1.01 -1.26 -0.63 120.40 126.24 3iu3 s VAL 143 Ca -0.07 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.15 3iu3 s VAL 143 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3iu3 s VAL 143 CO -0.01 0.13 -0.03 -1.10 0.00 0.00 0.00 175.10 174.09 3iu3 s GLN 144 N 1.51 2.28 -0.02 2.72 -0.21 -0.08 -4.98 119.66 120.88 3iu3 s GLN 144 Ca -0.01 -1.23 0.03 0.00 0.02 0.00 0.00 55.36 54.17 3iu3 s GLN 144 Cb -0.16 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 3iu3 s GLN 144 CO -0.08 0.42 -0.10 -1.58 -2.12 0.00 0.00 175.29 171.84 3iu3 s TRP 145 N -1.88 2.82 -0.28 0.91 0.52 -1.26 -1.04 118.94 118.72 3iu3 s TRP 145 Ca 0.28 -0.08 -0.02 0.00 0.02 0.00 0.00 56.10 56.30 3iu3 s TRP 145 Cb -0.08 -1.62 0.09 0.00 -1.15 0.00 0.00 33.47 30.71 3iu3 s TRP 145 CO 0.18 0.30 0.10 0.15 0.02 0.00 0.00 176.95 177.70 3iu3 s LYS 146 N -1.10 0.51 -0.22 4.98 1.02 -0.73 -1.90 119.74 122.30 3iu3 s LYS 146 Ca 0.14 -0.75 -0.20 0.00 0.02 0.00 0.00 55.97 55.18 3iu3 s LYS 146 Cb -0.11 -1.73 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 3iu3 s LYS 146 CO 0.04 -0.93 0.60 0.08 -0.92 0.00 0.00 175.35 174.22 3iu3 s VAL 147 N 1.83 5.03 -1.03 3.17 1.01 -0.25 -1.49 120.40 128.67 3iu3 s VAL 147 Ca 0.07 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.10 3iu3 s VAL 147 Cb -0.17 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3iu3 s VAL 147 CO -0.26 0.09 0.24 0.47 0.00 0.00 0.00 175.10 175.65 3iu3 n ASP 148 N 5.26 -3.34 0.00 3.32 8.00 0.97 -0.43 116.55 130.33 3iu3 n ASP 148 Ca -0.02 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3iu3 n ASP 148 Cb 0.50 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.77 3iu3 n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3iu3 n ASN 149 N -2.00 0.00 -4.71 -2.24 2.85 -1.26 -5.02 115.26 102.88 3iu3 n ASN 149 Ca -0.06 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.99 3iu3 n ASN 149 Cb 0.56 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.55 3iu3 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3iu3 s ALA 150 N -1.82 3.37 0.67 5.20 0.00 0.42 -4.94 121.76 124.66 3iu3 s ALA 150 Ca 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 52.56 3iu3 s ALA 150 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3iu3 s ALA 150 CO 0.00 -0.45 1.15 -1.17 0.00 0.00 0.00 175.76 175.29 3iu3 s LEU 151 N 1.23 3.40 0.10 0.00 2.96 -1.26 -1.09 118.68 124.03 3iu3 s LEU 151 Ca 0.57 2.15 0.10 0.00 -0.22 0.00 0.00 54.13 56.73 3iu3 s LEU 151 Cb -0.27 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 41.81 3iu3 s LEU 151 CO 0.28 -1.82 -0.24 -1.10 -1.32 0.00 0.00 176.35 172.15 3iu3 s GLN 152 N -3.94 1.63 -0.08 1.98 -1.52 -0.80 -4.86 119.66 112.08 3iu3 s GLN 152 Ca 0.70 -1.23 -0.07 0.00 -1.95 0.00 0.00 55.36 52.82 3iu3 s GLN 152 Cb -0.24 -2.00 0.03 0.00 -0.22 0.00 0.00 33.01 30.58 3iu3 s GLN 152 CO 0.41 0.48 0.21 -1.12 -0.25 0.00 0.00 175.29 175.02 3iu3 s SER 153 N -1.89 -0.22 0.00 5.90 0.01 -1.26 -4.73 113.70 111.52 3iu3 s SER 153 Ca 0.15 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.84 3iu3 s SER 153 Cb -0.10 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.54 3iu3 s SER 153 CO 0.06 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.23 3iu3 n GLY 154 N 3.22 2.43 0.95 3.44 0.00 -1.26 -4.80 105.19 109.18 3iu3 n GLY 154 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.91 3iu3 n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iu3 n ASN 155 N 0.70 2.69 -3.95 1.61 6.94 -1.26 -4.86 115.26 117.13 3iu3 n ASN 155 Ca 0.00 -2.27 -0.11 0.00 -0.02 0.00 0.00 54.58 52.18 3iu3 n ASN 155 Cb 0.00 -0.45 -0.12 0.00 -2.36 0.00 0.00 39.78 36.85 3iu3 n ASN 155 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3iu3 s SER 156 N -0.61 0.29 0.09 0.53 1.04 -1.26 -2.69 113.70 111.09 3iu3 s SER 156 Ca 0.25 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.46 3iu3 s SER 156 Cb 0.17 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3iu3 s SER 156 CO 0.11 -0.15 -0.22 -1.10 0.98 0.00 0.00 173.24 172.86 3iu3 s GLN 157 N -0.85 1.24 0.05 4.02 -0.21 -1.05 -4.98 119.66 117.87 3iu3 s GLN 157 Ca -0.08 -1.13 0.07 0.00 0.02 0.00 0.00 55.36 54.24 3iu3 s GLN 157 Cb -0.06 -1.49 -0.03 0.00 1.00 0.00 0.00 33.01 32.44 3iu3 s GLN 157 CO -0.00 0.36 -0.20 -1.83 -2.12 0.00 0.00 175.29 171.49 3iu3 s GLU 158 N -1.73 1.31 -0.01 2.91 -1.05 -1.26 -1.30 118.70 117.56 3iu3 s GLU 158 Ca 0.08 -0.97 0.02 0.00 -0.15 0.00 0.00 54.97 53.95 3iu3 s GLU 158 Cb -0.10 -1.44 0.00 0.00 -0.44 0.00 0.00 34.13 32.15 3iu3 s GLU 158 CO 0.04 0.36 -0.05 -1.54 0.95 0.00 0.00 175.26 175.01 3iu3 s SER 159 N -1.30 0.74 -0.05 0.83 1.04 -0.54 -5.00 113.70 109.42 3iu3 s SER 159 Ca 0.07 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.44 3iu3 s SER 159 Cb -0.09 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 3iu3 s SER 159 CO 0.02 0.04 -0.20 -0.69 0.98 0.00 0.00 173.24 173.40 3iu3 s VAL 160 N 0.11 2.58 0.66 5.02 1.01 -1.26 -0.92 120.40 127.59 3iu3 s VAL 160 Ca -0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 3iu3 s VAL 160 Cb -0.05 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3iu3 s VAL 160 CO -0.00 0.58 1.07 0.42 0.00 0.00 0.00 175.10 177.17 3iu3 s THR 161 N -0.54 3.77 0.88 3.92 -4.23 -0.29 -5.00 115.64 114.14 3iu3 s THR 161 Ca 0.07 0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 61.19 3iu3 s THR 161 Cb -0.11 -3.30 0.12 0.00 1.34 0.00 0.00 72.50 70.55 3iu3 s THR 161 CO 0.01 -0.62 1.11 -0.70 -0.54 0.00 0.00 174.62 173.88 3iu3 s GLU 162 N -4.51 1.37 0.32 3.99 2.56 -1.26 -4.60 118.70 116.57 3iu3 s GLU 162 Ca 0.62 1.25 -0.29 0.00 0.00 0.00 0.00 54.97 56.55 3iu3 s GLU 162 Cb -0.16 -1.79 -0.12 0.00 2.00 0.00 0.00 34.13 34.06 3iu3 s GLU 162 CO 0.46 -2.29 1.42 0.94 -0.56 0.00 0.00 175.26 175.23 3iu3 n GLN 163 N -3.97 2.35 -2.34 4.30 7.27 -1.26 -4.81 117.38 118.91 3iu3 n GLN 163 Ca 0.09 0.83 -0.37 0.00 0.07 0.00 0.00 57.00 57.62 3iu3 n GLN 163 Cb 0.53 -2.50 -0.02 0.00 2.41 0.00 0.00 30.24 30.66 3iu3 n GLN 163 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3iu3 s ASP 164 N 0.02 6.35 0.24 1.69 2.15 -0.81 -4.93 116.67 121.39 3iu3 s ASP 164 Ca 0.59 2.23 0.12 0.00 0.43 0.00 0.00 52.55 55.92 3iu3 s ASP 164 Cb -0.55 -2.60 0.18 0.00 -0.30 0.00 0.00 42.92 39.65 3iu3 s ASP 164 CO 0.57 -0.78 1.50 0.77 -0.17 0.00 0.00 175.17 177.05 3iu3 h SER 165 N 2.20 0.00 0.00 -0.34 4.64 -1.92 -2.34 113.55 115.79 3iu3 h SER 165 Ca -0.49 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.44 3iu3 h SER 165 Cb 1.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.27 3iu3 h SER 165 CO 0.61 0.68 -2.30 0.29 -0.87 0.00 0.00 176.83 175.24 3iu3 n LYS 166 N -3.50 0.57 -0.07 4.77 4.76 -1.26 -4.71 118.16 118.71 3iu3 n LYS 166 Ca -0.00 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.57 3iu3 n LYS 166 Cb 0.72 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 32.41 3iu3 n LYS 166 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3iu3 h ASP 167 N -0.98 0.41 -0.27 4.39 3.32 -1.99 -3.47 116.42 117.83 3iu3 h ASP 167 Ca -0.59 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.00 3iu3 h ASP 167 Cb 1.51 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.91 3iu3 h ASP 167 CO -0.36 0.66 -0.10 -1.20 -1.72 0.00 0.00 179.24 176.52 3iu3 n SER 168 N -4.62 -3.58 -4.94 6.45 7.64 -0.88 -4.99 113.62 108.69 3iu3 n SER 168 Ca -0.04 0.12 -0.23 0.00 1.01 0.00 0.00 58.87 59.73 3iu3 n SER 168 Cb 0.27 -1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 61.84 3iu3 n SER 168 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iu3 s THR 169 N -2.20 5.21 0.21 0.44 -4.23 -1.26 -4.61 115.64 109.21 3iu3 s THR 169 Ca 0.00 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 3iu3 s THR 169 Cb 0.00 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 3iu3 s THR 169 CO 0.00 -0.22 0.25 -0.31 -0.54 0.00 0.00 174.62 173.80 3iu3 s TYR 170 N -1.87 3.29 0.05 3.99 2.02 0.20 -1.92 117.35 123.10 3iu3 s TYR 170 Ca 0.34 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.06 3iu3 s TYR 170 Cb -0.10 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 3iu3 s TYR 170 CO 0.28 0.50 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.52 3iu3 s SER 171 N -3.63 1.33 -0.01 2.29 0.01 -1.26 -0.91 113.70 111.53 3iu3 s SER 171 Ca 0.33 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3iu3 s SER 171 Cb -0.09 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.11 3iu3 s SER 171 CO 0.27 -0.08 -0.01 -0.22 0.41 0.00 0.00 173.24 173.61 3iu3 s LEU 172 N -1.41 1.60 0.02 2.44 0.20 0.22 -1.13 118.68 120.62 3iu3 s LEU 172 Ca -0.03 -0.02 0.05 0.00 0.69 0.00 0.00 54.13 54.82 3iu3 s LEU 172 Cb -0.09 -0.13 -0.03 0.00 -0.43 0.00 0.00 46.19 45.51 3iu3 s LEU 172 CO 0.01 -0.04 -0.12 -0.94 -0.29 0.00 0.00 176.35 174.98 3iu3 s SER 173 N 0.46 4.27 -0.10 3.68 1.04 -0.10 0.02 113.70 122.96 3iu3 s SER 173 Ca -0.04 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.13 3iu3 s SER 173 Cb -0.07 -0.87 0.02 0.00 0.10 0.00 0.00 66.02 65.20 3iu3 s SER 173 CO -0.01 0.27 -0.13 -0.55 0.98 0.00 0.00 173.24 173.80 3iu3 s SER 174 N -1.46 2.22 -0.18 7.02 0.15 0.39 -1.47 113.70 120.37 3iu3 s SER 174 Ca 0.16 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.43 3iu3 s SER 174 Cb -0.11 -0.97 -0.00 0.00 -1.71 0.00 0.00 66.02 63.23 3iu3 s SER 174 CO 0.07 -0.02 -0.11 -0.89 1.20 0.00 0.00 173.24 173.49 3iu3 s THR 175 N 1.12 2.89 -0.41 6.45 2.01 -0.42 -0.50 115.64 126.78 3iu3 s THR 175 Ca -0.05 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 3iu3 s THR 175 Cb -0.14 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.14 3iu3 s THR 175 CO -0.03 0.48 0.27 -0.22 -0.69 0.00 0.00 174.62 174.44 3iu3 s LEU 176 N 1.09 5.03 -0.20 4.42 1.98 0.12 -2.54 118.68 128.58 3iu3 s LEU 176 Ca 0.00 -1.09 -0.08 0.00 -2.89 0.00 0.00 54.13 50.07 3iu3 s LEU 176 Cb -0.14 -2.08 -0.04 0.00 0.66 0.00 0.00 46.19 44.58 3iu3 s LEU 176 CO -0.03 -0.47 0.08 -0.89 -1.89 0.00 0.00 176.35 173.15 3iu3 s THR 177 N 1.58 4.75 0.05 3.68 2.01 -1.09 -0.38 115.64 126.24 3iu3 s THR 177 Ca 0.03 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 3iu3 s THR 177 Cb -0.20 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3iu3 s THR 177 CO 0.07 0.42 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.64 3iu3 s LEU 178 N 0.73 2.40 0.40 4.42 1.43 0.33 -4.85 118.68 123.54 3iu3 s LEU 178 Ca 0.04 -0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 51.98 3iu3 s LEU 178 Cb -0.13 0.23 -0.09 0.00 0.03 0.00 0.00 46.19 46.23 3iu3 s LEU 178 CO 0.02 -0.57 1.12 -0.94 0.23 0.00 0.00 176.35 176.21 3iu3 s SER 179 N -2.73 6.62 0.34 2.29 1.04 -1.26 -0.76 113.70 119.24 3iu3 s SER 179 Ca 0.04 2.21 0.10 0.00 0.48 0.00 0.00 55.95 58.78 3iu3 s SER 179 Cb 0.06 -2.60 0.85 0.00 0.10 0.00 0.00 66.02 64.43 3iu3 s SER 179 CO -0.09 -0.60 1.79 0.50 0.98 0.00 0.00 173.24 175.82 3iu3 h LYS 180 N 2.59 0.63 -0.25 4.02 3.11 -1.43 0.17 116.57 125.40 3iu3 h LYS 180 Ca -0.48 -0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.14 3iu3 h LYS 180 Cb 1.23 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 32.31 3iu3 h LYS 180 CO 0.62 0.42 -0.56 0.00 -2.81 0.00 0.00 179.45 177.12 3iu3 h ALA 181 N 1.64 0.53 -0.16 5.00 0.00 -1.92 -2.96 119.26 121.39 3iu3 h ALA 181 Ca 0.56 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3iu3 h ALA 181 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3iu3 h ALA 181 CO -0.33 0.68 -0.40 0.22 0.00 0.00 0.00 179.25 179.42 3iu3 h ASP 182 N 0.59 0.38 -0.56 0.00 3.58 -1.19 -3.01 116.42 116.21 3iu3 h ASP 182 Ca 0.01 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.24 3iu3 h ASP 182 Cb 1.15 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 3iu3 h ASP 182 CO 0.12 0.74 0.13 0.22 -2.88 0.00 0.00 179.24 177.57 3iu3 h TYR 183 N 0.30 0.96 0.00 0.28 3.20 -0.80 -3.12 116.97 117.80 3iu3 h TYR 183 Ca 0.03 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3iu3 h TYR 183 Cb 0.83 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3iu3 h TYR 183 CO 0.02 0.83 0.00 0.39 -1.64 0.00 0.00 178.16 177.76 3iu3 n GLU 184 N -4.38 0.11 0.05 1.82 1.02 -1.12 -3.10 120.64 115.04 3iu3 n GLU 184 Ca 0.03 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.29 3iu3 n GLU 184 Cb 0.24 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.55 3iu3 n GLU 184 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3iu3 n LYS 185 N -1.44 0.08 -4.17 3.49 5.02 -1.16 -4.86 118.16 115.12 3iu3 n LYS 185 Ca 0.08 0.31 -0.11 0.00 -2.02 0.00 0.00 58.31 56.58 3iu3 n LYS 185 Cb 0.29 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 3iu3 n LYS 185 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3iu3 s HIS 186 N -3.12 0.94 -0.12 2.13 3.76 -1.18 -5.10 115.29 112.61 3iu3 s HIS 186 Ca 0.06 -1.21 -0.04 0.00 -0.15 0.00 0.00 55.06 53.72 3iu3 s HIS 186 Cb 0.10 -0.53 -0.06 0.00 1.11 0.00 0.00 32.58 33.20 3iu3 s HIS 186 CO 0.32 -0.48 -0.13 1.63 -0.85 0.00 0.00 174.74 175.23 3iu3 n LYS 187 N -0.13 0.26 -3.81 1.40 4.01 -1.26 -4.84 118.16 113.78 3iu3 n LYS 187 Ca -0.05 0.09 -0.36 0.00 -0.51 0.00 0.00 58.31 57.49 3iu3 n LYS 187 Cb 0.64 -1.02 -0.10 0.00 -0.51 0.00 0.00 35.03 34.04 3iu3 n LYS 187 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3iu3 s VAL 188 N -2.22 5.03 -0.17 -0.18 1.01 -1.26 -0.10 120.40 122.51 3iu3 s VAL 188 Ca -0.16 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3iu3 s VAL 188 Cb 0.05 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3iu3 s VAL 188 CO 0.22 0.40 -0.13 -0.31 0.00 0.00 0.00 175.10 175.28 3iu3 s TYR 189 N 0.77 2.30 -0.04 5.22 1.51 -0.87 -0.02 117.35 126.22 3iu3 s TYR 189 Ca 0.06 -1.40 0.07 0.00 -1.01 0.00 0.00 57.07 54.79 3iu3 s TYR 189 Cb -0.13 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3iu3 s TYR 189 CO 0.02 -0.71 -0.25 0.00 -1.11 0.00 0.00 175.55 173.50 3iu3 s ALA 190 N 1.44 2.17 -0.33 3.71 0.00 -0.55 -2.04 121.76 126.15 3iu3 s ALA 190 Ca 0.02 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 3iu3 s ALA 190 Cb -0.14 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.39 3iu3 s ALA 190 CO -0.10 0.47 0.11 0.00 0.00 0.00 0.00 175.76 176.24 3iu3 s GLU 192 N 1.44 3.81 -0.10 0.00 2.12 -0.21 -0.13 118.70 125.64 3iu3 s GLU 192 Ca -0.00 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 54.96 3iu3 s GLU 192 Cb -0.19 -3.54 -0.00 0.00 0.26 0.00 0.00 34.13 30.66 3iu3 s GLU 192 CO 0.03 -0.20 -0.22 0.08 -0.54 0.00 0.00 175.26 174.41 3iu3 s VAL 193 N 1.70 2.25 -0.14 3.70 1.01 0.97 -0.90 120.40 129.00 3iu3 s VAL 193 Ca 0.07 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3iu3 s VAL 193 Cb -0.16 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3iu3 s VAL 193 CO 0.08 0.56 -0.21 -0.89 0.00 0.00 0.00 175.10 174.64 3iu3 s THR 194 N 0.26 1.99 -0.04 3.92 2.01 0.20 -1.36 115.64 122.62 3iu3 s THR 194 Ca -0.15 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.69 3iu3 s THR 194 Cb -0.17 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.62 3iu3 s THR 194 CO 0.08 0.54 0.48 -2.28 -0.69 0.00 0.00 174.62 172.74 3iu3 s HIS 195 N 0.85 -0.40 0.22 4.92 2.46 -1.26 -0.99 115.29 121.09 3iu3 s HIS 195 Ca -0.07 0.68 -0.07 0.00 0.47 0.00 0.00 55.06 56.07 3iu3 s HIS 195 Cb -0.15 0.24 0.36 0.00 -0.13 0.00 0.00 32.58 32.89 3iu3 s HIS 195 CO -0.02 -0.48 1.74 0.37 -2.47 0.00 0.00 174.74 173.87 3iu3 h GLN 196 N 3.54 0.41 -0.00 2.88 4.15 -1.93 -1.34 115.11 122.81 3iu3 h GLN 196 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3iu3 h GLN 196 Cb 1.16 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3iu3 h GLN 196 CO 0.39 0.27 0.00 0.41 -1.93 0.00 0.00 178.83 177.97 3iu3 n GLY 197 N -1.31 -0.98 3.74 2.39 0.00 -1.26 -4.79 105.19 102.98 3iu3 n GLY 197 Ca 0.11 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3iu3 n GLY 197 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iu3 s LEU 198 N -1.39 3.56 -1.48 0.99 1.02 -0.51 -4.57 118.68 116.30 3iu3 s LEU 198 Ca 0.19 -0.34 -0.09 0.00 0.02 0.00 0.00 54.13 53.91 3iu3 s LEU 198 Cb 0.09 -2.14 0.02 0.00 0.02 0.00 0.00 46.19 44.18 3iu3 s LEU 198 CO 0.15 0.03 2.56 -0.24 0.02 0.00 0.00 176.35 178.87 3iu3 n SER 199 N -0.64 7.36 -4.64 2.29 2.88 -1.26 -4.81 113.62 114.80 3iu3 n SER 199 Ca -0.08 -2.84 -0.34 0.00 -1.33 0.00 0.00 58.87 54.28 3iu3 n SER 199 Cb 0.57 -1.51 0.11 0.00 -0.75 0.00 0.00 64.21 62.63 3iu3 n SER 199 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3iu3 n SER 200 N 3.50 0.53 -4.56 -3.46 7.64 -1.26 -4.47 113.62 111.54 3iu3 n SER 200 Ca 0.65 0.59 -0.40 0.00 1.01 0.00 0.00 58.87 60.72 3iu3 n SER 200 Cb 0.28 -1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 61.94 3iu3 n SER 200 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3iu3 s PRO 201 N -3.80 3.66 0.26 1.43 0.04 -1.26 -5.07 135.00 130.25 3iu3 s PRO 201 Ca 0.72 -0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.09 3iu3 s PRO 201 Cb -0.30 -3.77 -0.09 0.00 0.04 0.00 0.00 34.50 30.38 3iu3 s PRO 201 CO 0.52 -0.44 1.05 0.08 0.04 0.00 0.00 177.00 178.25 3iu3 s VAL 202 N 1.96 3.71 -0.11 -0.36 1.01 -0.47 -4.78 120.40 121.37 3iu3 s VAL 202 Ca 0.11 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.81 3iu3 s VAL 202 Cb -0.16 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3iu3 s VAL 202 CO 0.11 0.39 -0.19 0.28 0.00 0.00 0.00 175.10 175.69 3iu3 s THR 203 N -1.06 2.50 -0.19 3.92 -1.32 -1.26 -0.02 115.64 118.22 3iu3 s THR 203 Ca 0.44 -0.87 -0.00 0.00 -1.21 0.00 0.00 61.69 60.05 3iu3 s THR 203 Cb -0.30 -2.00 0.01 0.00 -1.51 0.00 0.00 72.50 68.71 3iu3 s THR 203 CO 0.38 0.55 -0.16 -0.75 -2.21 0.00 0.00 174.62 172.42 3iu3 s LYS 204 N 0.27 3.10 0.24 7.08 2.47 0.82 -4.95 119.74 128.76 3iu3 s LYS 204 Ca -0.13 -0.78 0.02 0.00 -1.56 0.00 0.00 55.97 53.52 3iu3 s LYS 204 Cb -0.17 -2.68 -0.05 0.00 -1.46 0.00 0.00 37.83 33.48 3iu3 s LYS 204 CO 0.07 -0.19 0.06 -1.54 0.16 0.00 0.00 175.35 173.91 3iu3 s SER 205 N 1.29 1.35 0.02 1.43 1.04 -1.26 0.25 113.70 117.82 3iu3 s SER 205 Ca 0.04 -1.30 -0.08 0.00 0.48 0.00 0.00 55.95 55.08 3iu3 s SER 205 Cb -0.14 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3iu3 s SER 205 CO -0.09 -0.65 0.16 0.72 0.98 0.00 0.00 173.24 174.36 3iu3 s PHE 206 N -3.66 0.05 0.12 5.02 -0.71 -0.87 -5.02 117.98 112.92 3iu3 s PHE 206 Ca 0.33 -0.21 -0.10 0.00 -1.04 0.00 0.00 56.93 55.91 3iu3 s PHE 206 Cb 0.07 -0.05 -0.06 0.00 -1.21 0.00 0.00 43.02 41.77 3iu3 s PHE 206 CO 0.10 -0.35 0.45 -0.80 -1.34 0.00 0.00 175.22 173.28 3iu3 s ASN 207 N -1.72 6.65 0.39 1.98 -0.87 -1.26 -2.06 114.94 118.05 3iu3 s ASN 207 Ca -0.10 0.83 0.11 0.00 -1.57 0.00 0.00 52.86 52.13 3iu3 s ASN 207 Cb -0.04 -2.19 0.80 0.00 -0.02 0.00 0.00 41.25 39.80 3iu3 s ASN 207 CO -0.01 0.11 1.90 -0.09 -2.57 0.00 0.00 177.10 176.44 3iu3 h ARG 208 N 3.38 0.13 0.00 -0.60 2.43 -0.83 -3.49 114.38 115.39 3iu3 h ARG 208 Ca -0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3iu3 h ARG 208 Cb 1.19 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3iu3 h ARG 208 CO 0.68 0.34 0.00 0.41 -1.51 0.00 0.00 179.97 179.89