#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii3 s VAL 6 N 0.00 2.98 -0.01 -3.33 1.01 -1.26 -4.31 120.40 115.49 3ii3 s VAL 6 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 3ii3 s VAL 6 Cb 0.00 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 3ii3 s VAL 6 CO 0.00 -0.26 0.02 -0.69 0.00 0.00 0.00 175.10 174.17 3ii3 s VAL 7 N -2.43 0.02 0.01 2.92 1.01 -0.92 -4.98 120.40 116.02 3ii3 s VAL 7 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 3ii3 s VAL 7 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 3ii3 s VAL 7 CO 0.20 -0.07 0.15 -1.61 0.00 0.00 0.00 175.10 173.78 3ii3 s GLU 8 N -0.20 3.30 -0.08 2.72 2.02 -1.26 0.39 118.70 125.60 3ii3 s GLU 8 Ca -0.02 -0.41 -0.16 0.00 0.02 0.00 0.00 54.97 54.40 3ii3 s GLU 8 Cb -0.02 -3.00 0.03 0.00 0.10 0.00 0.00 34.13 31.25 3ii3 s GLU 8 CO -0.00 0.65 0.38 -0.47 0.02 0.00 0.00 175.26 175.84 3ii3 s TYR 9 N -1.32 -0.34 -0.22 1.61 5.04 -0.78 -4.98 117.35 116.36 3ii3 s TYR 9 Ca 0.27 0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 55.58 3ii3 s TYR 9 Cb -0.12 0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.35 3ii3 s TYR 9 CO 0.19 -0.33 -0.10 -2.00 -1.34 0.00 0.00 175.55 171.97 3ii3 s GLU 10 N -0.65 3.06 0.34 4.97 2.12 -1.26 -1.58 118.70 125.70 3ii3 s GLU 10 Ca -0.08 -0.82 0.08 0.00 0.36 0.00 0.00 54.97 54.52 3ii3 s GLU 10 Cb -0.04 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 3ii3 s GLU 10 CO 0.03 -0.28 0.09 0.14 -0.54 0.00 0.00 175.26 174.71 3ii3 s VAL 11 N 1.37 2.84 -0.10 3.70 -7.23 -1.22 -5.00 120.40 114.75 3ii3 s VAL 11 Ca 0.03 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 3ii3 s VAL 11 Cb -0.15 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 3ii3 s VAL 11 CO -0.07 -0.18 0.26 -0.69 -0.31 0.00 0.00 175.10 174.12 3ii3 s VAL 12 N -2.47 5.30 -0.25 1.32 1.01 -1.26 -1.88 120.40 122.17 3ii3 s VAL 12 Ca 0.37 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 3ii3 s VAL 12 Cb -0.01 -3.57 0.11 0.00 0.00 0.00 0.00 36.38 32.92 3ii3 s VAL 12 CO 0.21 0.53 0.25 -0.55 0.00 0.00 0.00 175.10 175.54 3ii3 s SER 13 N -0.50 1.70 -0.27 3.32 0.15 0.12 -0.62 113.70 117.60 3ii3 s SER 13 Ca 0.17 -0.54 -0.18 0.00 0.70 0.00 0.00 55.95 56.10 3ii3 s SER 13 Cb -0.14 0.38 0.08 0.00 -1.71 0.00 0.00 66.02 64.63 3ii3 s SER 13 CO 0.06 -0.36 0.69 -1.59 1.20 0.00 0.00 173.24 173.24 3ii3 s LYS 14 N 2.32 0.74 -0.35 5.44 -2.85 0.14 -3.09 119.74 122.09 3ii3 s LYS 14 Ca 0.08 1.16 0.02 0.00 -1.00 0.00 0.00 55.97 56.23 3ii3 s LYS 14 Cb -0.15 0.21 0.10 0.00 -2.06 0.00 0.00 37.83 35.92 3ii3 s LYS 14 CO -0.24 -0.14 0.07 1.21 0.10 0.00 0.00 175.35 176.36 3ii3 s ASN 15 N 1.31 4.88 0.32 0.03 2.47 -1.24 -0.02 114.94 122.69 3ii3 s ASN 15 Ca -0.07 -2.00 0.07 0.00 0.42 0.00 0.00 52.86 51.28 3ii3 s ASN 15 Cb -0.05 -1.68 -0.03 0.00 -1.45 0.00 0.00 41.25 38.04 3ii3 s ASN 15 CO -0.15 -0.40 0.31 -0.76 -3.72 0.00 0.00 177.10 172.38 3ii3 s LEU 16 N 1.01 3.73 0.30 3.21 1.43 0.22 0.13 118.68 128.70 3ii3 s LEU 16 Ca 0.07 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3ii3 s LEU 16 Cb -0.20 -2.35 0.78 0.00 0.03 0.00 0.00 46.19 44.44 3ii3 s LEU 16 CO -0.06 -0.30 1.71 0.71 0.23 0.00 0.00 176.35 178.63 3ii3 h THR 17 N 1.23 0.50 0.00 5.49 1.35 -2.01 -3.16 112.91 116.30 3ii3 h THR 17 Ca -0.46 -0.16 -0.22 0.00 -0.55 0.00 0.00 66.41 65.03 3ii3 h THR 17 Cb 1.25 -0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 3ii3 h THR 17 CO 0.58 0.08 -1.31 -1.54 -0.25 0.00 0.00 175.52 173.08 3ii3 n SER 18 N -4.99 1.87 -4.31 5.36 3.41 -1.26 -4.97 113.62 108.72 3ii3 n SER 18 Ca 0.24 0.45 -0.17 0.00 -0.26 0.00 0.00 58.87 59.13 3ii3 n SER 18 Cb 0.68 -0.92 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 3ii3 n SER 18 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ii3 s LYS 19 N -2.39 1.26 -0.06 4.33 2.20 -1.19 -3.00 119.74 120.89 3ii3 s LYS 19 Ca -0.28 -1.59 0.02 0.00 -0.36 0.00 0.00 55.97 53.76 3ii3 s LYS 19 Cb 0.07 -0.75 0.02 0.00 -1.51 0.00 0.00 37.83 35.65 3ii3 s LYS 19 CO 0.50 0.02 -0.09 1.41 -0.36 0.00 0.00 175.35 176.83 3ii3 s MET 20 N -3.77 1.35 -0.15 4.03 -2.45 -0.70 -0.61 119.30 117.00 3ii3 s MET 20 Ca 0.23 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.40 3ii3 s MET 20 Cb 0.03 -1.17 0.01 0.00 1.25 0.00 0.00 34.83 34.95 3ii3 s MET 20 CO 0.06 -0.01 -0.21 -1.12 1.05 0.00 0.00 175.02 174.78 3ii3 s SER 21 N 0.75 3.14 -0.27 1.11 0.01 0.97 -0.79 113.70 118.62 3ii3 s SER 21 Ca -0.13 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.50 3ii3 s SER 21 Cb -0.15 -1.46 0.09 0.00 0.21 0.00 0.00 66.02 64.71 3ii3 s SER 21 CO 0.02 0.07 0.08 -2.28 0.41 0.00 0.00 173.24 171.55 3ii3 s HIS 22 N 0.88 1.24 0.05 2.43 5.04 -0.77 0.24 115.29 124.40 3ii3 s HIS 22 Ca -0.05 -1.31 0.07 0.00 -1.54 0.00 0.00 55.06 52.23 3ii3 s HIS 22 Cb -0.15 -1.35 -0.03 0.00 0.04 0.00 0.00 32.58 31.09 3ii3 s HIS 22 CO -0.03 -0.79 -0.18 -1.21 -2.34 0.00 0.00 174.74 170.19 3ii3 s GLU 23 N 1.78 2.04 -0.02 2.88 2.02 0.21 -0.94 118.70 126.66 3ii3 s GLU 23 Ca 0.06 -1.00 -0.08 0.00 0.02 0.00 0.00 54.97 53.97 3ii3 s GLU 23 Cb -0.17 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 31.89 3ii3 s GLU 23 CO -0.22 0.53 0.18 -0.51 0.02 0.00 0.00 175.26 175.26 3ii3 s LEU 24 N -1.52 1.37 -0.15 1.80 1.43 -0.71 -4.68 118.68 116.22 3ii3 s LEU 24 Ca 0.15 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 3ii3 s LEU 24 Cb -0.10 0.75 -0.04 0.00 0.03 0.00 0.00 46.19 46.82 3ii3 s LEU 24 CO 0.06 -0.28 0.41 -0.76 0.23 0.00 0.00 176.35 176.00 3ii3 s LEU 25 N -0.89 4.24 -0.19 1.79 1.43 -1.26 -1.37 118.68 122.43 3ii3 s LEU 25 Ca -0.10 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 53.62 3ii3 s LEU 25 Cb -0.05 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 3ii3 s LEU 25 CO 0.01 0.01 -0.02 0.12 0.23 0.00 0.00 176.35 176.71 3ii3 s PHE 26 N 0.72 3.01 -0.08 0.29 5.36 0.13 -1.29 117.98 126.11 3ii3 s PHE 26 Ca 0.22 -0.54 -0.30 0.00 -0.96 0.00 0.00 56.93 55.35 3ii3 s PHE 26 Cb -0.14 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.44 3ii3 s PHE 26 CO 0.08 -0.27 1.44 0.45 -1.46 0.00 0.00 175.22 175.46 3ii3 s SER 27 N 0.96 6.82 0.21 6.13 0.15 -0.95 -0.25 113.70 126.77 3ii3 s SER 27 Ca 0.01 2.00 -0.10 0.00 0.70 0.00 0.00 55.95 58.56 3ii3 s SER 27 Cb -0.14 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.81 3ii3 s SER 27 CO 0.01 -0.81 1.87 0.58 1.20 0.00 0.00 173.24 176.09 3ii3 h VAL 28 N 5.38 1.16 -0.03 4.45 2.07 -1.85 -1.48 116.25 125.95 3ii3 h VAL 28 Ca -0.34 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3ii3 h VAL 28 Cb 1.15 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3ii3 h VAL 28 CO 0.95 0.18 -0.10 0.50 0.02 0.00 0.00 177.57 179.12 3ii3 h LYS 29 N 0.99 0.12 -0.00 1.57 3.64 -1.93 -3.29 116.57 117.67 3ii3 h LYS 29 Ca 0.29 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3ii3 h LYS 29 Cb -0.06 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3ii3 h LYS 29 CO -0.08 0.72 -0.08 1.63 -2.27 0.00 0.00 179.45 179.36 3ii3 n LYS 30 N -4.67 0.67 -1.98 1.90 5.02 -1.23 -4.92 118.16 112.95 3ii3 n LYS 30 Ca -0.09 -0.18 -0.17 0.00 -2.02 0.00 0.00 58.31 55.86 3ii3 n LYS 30 Cb 0.37 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 3ii3 n LYS 30 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ii3 n ARG 31 N -1.01 -1.67 -3.83 1.97 1.74 -0.56 -4.62 116.66 108.68 3ii3 n ARG 31 Ca 0.15 0.90 -0.09 0.00 -0.77 0.00 0.00 57.85 58.04 3ii3 n ARG 31 Cb 0.26 -5.38 -0.04 0.00 -1.02 0.00 0.00 32.46 26.28 3ii3 n ARG 31 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3ii3 s TRP 32 N -2.64 -0.03 0.80 -1.55 -0.11 -1.24 -2.63 118.94 111.54 3ii3 s TRP 32 Ca 0.00 -0.35 -0.14 0.00 1.22 0.00 0.00 56.10 56.84 3ii3 s TRP 32 Cb 0.00 0.43 0.08 0.00 -1.50 0.00 0.00 33.47 32.47 3ii3 s TRP 32 CO 0.00 -1.02 1.20 1.19 -4.62 0.00 0.00 176.95 173.70 3ii3 n PHE 33 N -0.38 1.28 -3.29 5.86 3.72 -1.26 -2.25 117.46 121.13 3ii3 n PHE 33 Ca -0.07 0.41 -0.38 0.00 -0.05 0.00 0.00 57.45 57.36 3ii3 n PHE 33 Cb 0.61 -2.11 -0.06 0.00 -0.94 0.00 0.00 39.48 36.98 3ii3 n PHE 33 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ii3 s VAL 34 N -2.07 4.76 -0.25 -4.37 1.01 -0.41 -4.73 120.40 114.33 3ii3 s VAL 34 Ca 0.74 1.17 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 3ii3 s VAL 34 Cb -0.30 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3ii3 s VAL 34 CO 0.50 0.53 1.15 -0.75 0.00 0.00 0.00 175.10 176.53 3ii3 s LYS 35 N -1.17 4.15 0.45 2.72 2.20 -1.26 -4.68 119.74 122.15 3ii3 s LYS 35 Ca 0.29 1.34 -0.23 0.00 -0.36 0.00 0.00 55.97 57.01 3ii3 s LYS 35 Cb -0.19 -3.73 -0.07 0.00 -1.51 0.00 0.00 37.83 32.32 3ii3 s LYS 35 CO 0.19 -0.80 1.17 -2.14 -0.36 0.00 0.00 175.35 173.41 3ii3 s PRO 36 N 3.55 3.79 0.24 4.03 0.02 -1.26 -4.78 135.00 140.59 3ii3 s PRO 36 Ca 0.49 1.79 0.13 0.00 0.02 0.00 0.00 61.00 63.42 3ii3 s PRO 36 Cb -0.16 -2.44 0.05 0.00 0.02 0.00 0.00 34.50 31.97 3ii3 s PRO 36 CO 0.13 -0.53 1.43 0.27 -0.33 0.00 0.00 177.00 177.97 3ii3 h PHE 37 N 2.11 0.00 -2.67 6.54 -5.15 -1.46 -3.46 116.94 112.86 3ii3 h PHE 37 Ca -0.49 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.13 3ii3 h PHE 37 Cb 1.25 0.00 -0.29 0.00 0.22 0.00 0.00 35.95 37.12 3ii3 h PHE 37 CO 0.53 0.65 -0.42 0.50 -2.00 0.00 0.00 178.31 177.57 3ii3 s ARG 38 N -2.97 0.27 -0.27 6.09 3.52 -1.15 -5.05 118.95 119.38 3ii3 s ARG 38 Ca 0.02 0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 56.40 3ii3 s ARG 38 Cb 0.09 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.58 3ii3 s ARG 38 CO 0.76 -0.25 0.18 -3.38 -0.81 0.00 0.00 175.30 171.81 3ii3 s HIS 39 N 2.34 3.24 -0.38 5.12 -3.43 -1.26 -1.57 115.29 119.35 3ii3 s HIS 39 Ca -0.02 0.14 -0.11 0.00 -0.80 0.00 0.00 55.06 54.27 3ii3 s HIS 39 Cb -0.11 -2.35 0.03 0.00 -1.43 0.00 0.00 32.58 28.72 3ii3 s HIS 39 CO -0.11 -0.10 0.22 0.34 -2.00 0.00 0.00 174.74 173.09 3ii3 s ASP 40 N 1.57 5.77 -0.09 7.38 -1.08 0.18 -4.96 116.67 125.44 3ii3 s ASP 40 Ca 0.07 -1.04 -0.12 0.00 -0.52 0.00 0.00 52.55 50.94 3ii3 s ASP 40 Cb -0.15 -2.04 -0.28 0.00 -1.46 0.00 0.00 42.92 38.99 3ii3 s ASP 40 CO 0.09 -0.41 0.53 0.03 0.52 0.00 0.00 175.17 175.93 3ii3 h ARG 41 N 8.46 0.29 -1.14 4.34 3.08 -1.94 0.42 114.38 127.88 3ii3 h ARG 41 Ca -0.25 -0.49 0.32 0.00 0.07 0.00 0.00 59.98 59.63 3ii3 h ARG 41 Cb 1.10 0.18 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 3ii3 h ARG 41 CO 0.68 1.24 0.76 1.96 -1.07 0.00 0.00 179.97 183.54 3ii3 h GLN 42 N -0.12 0.22 0.00 0.04 1.08 -1.92 -2.63 115.11 111.78 3ii3 h GLN 42 Ca -0.35 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 3ii3 h GLN 42 Cb 1.91 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.29 3ii3 h GLN 42 CO 0.09 0.15 0.00 1.28 -0.95 0.00 0.00 178.83 179.40 3ii3 n LEU 43 N -4.51 1.07 -2.86 1.46 4.77 -1.26 -5.06 117.00 110.62 3ii3 n LEU 43 Ca 0.28 -1.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.06 3ii3 n LEU 43 Cb 1.09 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.25 3ii3 n LEU 43 CO 0.29 0.27 0.08 0.61 -1.33 0.00 0.00 177.39 177.31 3ii3 n GLY 44 N -0.22 -0.19 2.95 -0.72 0.00 -0.93 -4.93 105.19 101.15 3ii3 n GLY 44 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 3ii3 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ii3 s LYS 45 N -5.01 0.22 0.36 1.61 1.02 0.09 0.17 119.74 118.19 3ii3 s LYS 45 Ca 0.01 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.70 3ii3 s LYS 45 Cb -0.00 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.36 3ii3 s LYS 45 CO 0.56 -0.04 0.25 -0.51 -0.92 0.00 0.00 175.35 174.70 3ii3 s LEU 46 N -0.94 3.41 -0.07 3.17 1.43 -0.79 0.49 118.68 125.38 3ii3 s LEU 46 Ca -0.10 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 3ii3 s LEU 46 Cb -0.06 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.23 3ii3 s LEU 46 CO -0.01 -0.41 0.13 -1.00 0.23 0.00 0.00 176.35 175.29 3ii3 s HIS 47 N -2.40 -0.13 0.11 0.29 3.76 -0.61 -3.43 115.29 112.88 3ii3 s HIS 47 Ca 0.41 0.49 0.06 0.00 -0.15 0.00 0.00 55.06 55.87 3ii3 s HIS 47 Cb -0.03 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.39 3ii3 s HIS 47 CO 0.25 -0.21 -0.04 0.71 -0.85 0.00 0.00 174.74 174.60 3ii3 s TYR 48 N 1.80 2.87 -0.41 1.40 2.02 -0.61 -1.08 117.35 123.34 3ii3 s TYR 48 Ca -0.02 -0.09 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 3ii3 s TYR 48 Cb -0.12 -1.47 0.11 0.00 -0.40 0.00 0.00 41.96 40.08 3ii3 s TYR 48 CO -0.05 0.47 0.14 0.15 -1.57 0.00 0.00 175.55 174.68 3ii3 s LYS 49 N -2.37 1.64 -0.13 -0.62 1.02 -1.26 -1.87 119.74 116.16 3ii3 s LYS 49 Ca 0.24 -2.14 -0.09 0.00 0.02 0.00 0.00 55.97 54.00 3ii3 s LYS 49 Cb -0.11 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 3ii3 s LYS 49 CO 0.17 -1.02 0.19 -0.51 -0.92 0.00 0.00 175.35 173.26 3ii3 s LEU 50 N 0.44 4.35 0.41 3.17 1.43 0.16 -4.84 118.68 123.81 3ii3 s LEU 50 Ca 0.13 0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 3ii3 s LEU 50 Cb -0.22 -2.17 -0.11 0.00 0.03 0.00 0.00 46.19 43.73 3ii3 s LEU 50 CO -0.05 0.32 0.94 -0.76 0.23 0.00 0.00 176.35 177.04 3ii3 s LEU 51 N -0.61 4.00 -0.22 1.79 1.43 -1.26 -2.17 118.68 121.64 3ii3 s LEU 51 Ca 0.15 1.70 -0.41 0.00 -1.03 0.00 0.00 54.13 54.54 3ii3 s LEU 51 Cb -0.12 -4.45 -0.17 0.00 0.03 0.00 0.00 46.19 41.47 3ii3 s LEU 51 CO 0.04 -0.31 1.54 -2.65 0.23 0.00 0.00 176.35 175.19 3ii3 n PRO 52 N -0.46 0.74 -3.33 1.29 -0.02 -1.26 -4.78 135.00 127.18 3ii3 n PRO 52 Ca 0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3ii3 n PRO 52 Cb 0.53 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3ii3 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ii3 n GLY 53 N 3.45 -0.52 3.51 -1.23 0.00 -1.13 -5.05 105.19 104.21 3ii3 n GLY 53 Ca 0.25 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3ii3 n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ii3 s ASN 54 N -4.00 4.04 0.28 1.61 -0.87 -1.26 -2.46 114.94 112.29 3ii3 s ASN 54 Ca 0.00 -0.45 0.04 0.00 -1.57 0.00 0.00 52.86 50.88 3ii3 s ASN 54 Cb 0.00 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.25 40.52 3ii3 s ASN 54 CO 0.00 0.21 0.23 -0.31 -2.57 0.00 0.00 177.10 174.66 3ii3 s TYR 55 N -1.09 1.53 -0.04 2.20 2.02 -0.93 -2.96 117.35 118.08 3ii3 s TYR 55 Ca 0.18 -1.55 0.02 0.00 -0.37 0.00 0.00 57.07 55.35 3ii3 s TYR 55 Cb -0.11 -0.64 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 3ii3 s TYR 55 CO 0.09 -0.80 -0.08 0.42 -1.57 0.00 0.00 175.55 173.61 3ii3 s ILE 56 N -3.68 0.81 -0.44 2.71 1.01 0.66 -1.90 121.20 120.36 3ii3 s ILE 56 Ca 0.40 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 3ii3 s ILE 56 Cb 0.04 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.79 3ii3 s ILE 56 CO 0.22 0.27 0.41 -0.75 0.00 0.00 0.00 174.94 175.10 3ii3 s LYS 57 N 0.58 3.04 0.21 2.79 2.20 -0.82 0.20 119.74 127.93 3ii3 s LYS 57 Ca -0.10 -0.98 -0.23 0.00 -0.36 0.00 0.00 55.97 54.30 3ii3 s LYS 57 Cb -0.13 -4.02 -0.08 0.00 -1.51 0.00 0.00 37.83 32.08 3ii3 s LYS 57 CO 0.01 -0.91 0.78 -0.06 -0.36 0.00 0.00 175.35 174.81 3ii3 s PHE 58 N 1.96 3.77 -0.02 4.03 0.08 -0.47 -2.46 117.98 124.86 3ii3 s PHE 58 Ca 0.09 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.72 3ii3 s PHE 58 Cb -0.19 -2.73 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 3ii3 s PHE 58 CO 0.11 0.39 -0.13 0.20 -0.10 0.00 0.00 175.22 175.70 3ii3 s GLY 59 N -1.43 0.64 -0.24 4.36 0.00 -0.31 -1.74 107.32 108.60 3ii3 s GLY 59 Ca 0.41 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.56 3ii3 s GLY 59 CO 0.24 -0.39 0.10 -2.27 0.00 0.00 0.00 173.10 170.78 3ii3 s LEU 60 N -0.19 0.74 -0.15 0.66 2.96 -0.12 -1.10 118.68 121.48 3ii3 s LEU 60 Ca 0.03 -1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 52.86 3ii3 s LEU 60 Cb -0.06 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 3ii3 s LEU 60 CO -0.00 -0.39 0.02 -0.31 -1.32 0.00 0.00 176.35 174.35 3ii3 s TYR 61 N 2.03 3.17 -0.05 5.38 2.02 -0.53 -1.86 117.35 127.52 3ii3 s TYR 61 Ca 0.05 -0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3ii3 s TYR 61 Cb -0.16 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.45 3ii3 s TYR 61 CO -0.22 0.18 -0.02 0.08 -1.57 0.00 0.00 175.55 174.00 3ii3 s VAL 62 N 0.06 0.37 -0.51 0.71 1.01 0.03 -0.73 120.40 121.34 3ii3 s VAL 62 Ca 0.03 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 3ii3 s VAL 62 Cb -0.13 -0.46 0.12 0.00 0.00 0.00 0.00 36.38 35.91 3ii3 s VAL 62 CO 0.02 0.21 0.43 -0.76 0.00 0.00 0.00 175.10 174.99 3ii3 s LEU 63 N 1.28 5.94 0.07 3.92 1.43 0.16 -1.72 118.68 129.77 3ii3 s LEU 63 Ca -0.06 -1.81 -0.24 0.00 -1.03 0.00 0.00 54.13 50.99 3ii3 s LEU 63 Cb -0.13 -2.12 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 3ii3 s LEU 63 CO -0.02 -0.78 1.39 0.11 0.23 0.00 0.00 176.35 177.28 3ii3 h LYS 64 N 8.70 -0.53 0.00 1.70 1.57 -1.76 0.23 116.57 126.48 3ii3 h LYS 64 Ca -0.26 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3ii3 h LYS 64 Cb 1.09 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ii3 h LYS 64 CO 0.95 -0.35 0.00 -0.91 -0.57 0.00 0.00 179.45 178.57 3ii3 h ASN 65 N -0.55 0.00 -0.69 0.86 2.35 -1.94 0.38 115.58 115.99 3ii3 h ASN 65 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ii3 h ASN 65 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3ii3 h ASN 65 CO -0.19 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.59 3ii3 n GLN 66 N -2.30 2.84 -3.73 0.81 1.13 -1.09 -4.93 117.38 110.10 3ii3 n GLN 66 Ca 0.01 -2.58 -0.29 0.00 -1.94 0.00 0.00 57.00 52.20 3ii3 n GLN 66 Cb 0.16 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 28.88 3ii3 n GLN 66 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3ii3 n ASP 67 N 1.46 -3.63 -4.55 1.08 -0.08 0.13 -4.91 116.55 106.06 3ii3 n ASP 67 Ca 0.24 -0.65 -0.34 0.00 -1.51 0.00 0.00 54.79 52.53 3ii3 n ASP 67 Cb 0.65 -2.98 -0.11 0.00 2.34 0.00 0.00 41.12 41.02 3ii3 n ASP 67 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3ii3 s TYR 68 N -3.08 3.08 -0.06 -0.67 5.04 0.76 -1.72 117.35 120.71 3ii3 s TYR 68 Ca 0.56 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.03 3ii3 s TYR 68 Cb -0.30 -1.95 0.02 0.00 0.35 0.00 0.00 41.96 40.08 3ii3 s TYR 68 CO 0.68 0.07 -0.06 0.00 -1.34 0.00 0.00 175.55 174.90 3ii3 s ALA 69 N 0.19 0.85 -0.02 3.97 0.00 0.28 0.40 121.76 127.41 3ii3 s ALA 69 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.81 3ii3 s ALA 69 Cb -0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3ii3 s ALA 69 CO 0.02 -0.06 -0.11 0.50 0.00 0.00 0.00 175.76 176.11 3ii3 s ARG 70 N 1.02 2.50 -0.07 0.00 3.52 0.09 -0.01 118.95 126.00 3ii3 s ARG 70 Ca -0.09 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 54.82 3ii3 s ARG 70 Cb -0.14 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 3ii3 s ARG 70 CO -0.00 0.61 -0.15 0.12 -0.81 0.00 0.00 175.30 175.07 3ii3 s PHE 71 N -0.85 1.69 0.13 5.12 5.36 0.44 -1.45 117.98 128.42 3ii3 s PHE 71 Ca 0.14 -0.65 0.09 0.00 -0.96 0.00 0.00 56.93 55.55 3ii3 s PHE 71 Cb -0.11 -1.20 -0.04 0.00 -0.34 0.00 0.00 43.02 41.33 3ii3 s PHE 71 CO 0.03 -0.31 -0.20 -1.21 -1.46 0.00 0.00 175.22 172.07 3ii3 s GLU 72 N 0.61 1.21 -0.11 10.12 2.02 -0.26 -0.59 118.70 131.71 3ii3 s GLU 72 Ca -0.15 -1.27 -0.00 0.00 0.02 0.00 0.00 54.97 53.56 3ii3 s GLU 72 Cb -0.16 -1.42 0.02 0.00 0.10 0.00 0.00 34.13 32.68 3ii3 s GLU 72 CO 0.05 0.31 -0.08 0.42 0.02 0.00 0.00 175.26 175.99 3ii3 s ILE 73 N -1.48 1.00 0.16 -1.63 1.01 -0.40 -1.16 121.20 118.70 3ii3 s ILE 73 Ca 0.11 -0.28 0.10 0.00 0.00 0.00 0.00 60.65 60.58 3ii3 s ILE 73 Cb -0.08 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3ii3 s ILE 73 CO 0.05 0.36 -0.21 0.00 0.00 0.00 0.00 174.94 175.15 3ii3 s ALA 74 N 1.65 2.61 -0.20 9.38 0.00 -1.03 0.41 121.76 134.58 3ii3 s ALA 74 Ca 0.04 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 3ii3 s ALA 74 Cb -0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3ii3 s ALA 74 CO -0.07 0.50 -0.00 -0.46 0.00 0.00 0.00 175.76 175.72 3ii3 s TRP 75 N -1.42 3.04 -0.22 0.00 -0.11 0.49 -1.95 118.94 118.76 3ii3 s TRP 75 Ca 0.19 -0.45 -0.06 0.00 1.22 0.00 0.00 56.10 57.01 3ii3 s TRP 75 Cb -0.09 -2.07 -0.02 0.00 -1.50 0.00 0.00 33.47 29.78 3ii3 s TRP 75 CO 0.10 -0.22 0.02 0.08 -4.62 0.00 0.00 176.95 172.31 3ii3 s VAL 76 N 0.94 4.07 -0.26 5.86 1.01 -0.80 -3.07 120.40 128.15 3ii3 s VAL 76 Ca 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 3ii3 s VAL 76 Cb -0.14 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.41 3ii3 s VAL 76 CO 0.02 0.40 -0.07 -2.28 0.00 0.00 0.00 175.10 173.16 3ii3 s HIS 77 N 1.25 3.13 -0.23 5.22 2.46 -0.93 -2.18 115.29 124.00 3ii3 s HIS 77 Ca 0.04 -1.80 -0.00 0.00 0.47 0.00 0.00 55.06 53.77 3ii3 s HIS 77 Cb -0.15 -2.03 0.03 0.00 -0.13 0.00 0.00 32.58 30.30 3ii3 s HIS 77 CO 0.02 -0.79 -0.10 0.08 -2.47 0.00 0.00 174.74 171.48 3ii3 s VAL 78 N 1.26 2.55 0.23 0.89 1.01 -1.03 -2.70 120.40 122.60 3ii3 s VAL 78 Ca -0.03 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3ii3 s VAL 78 Cb -0.18 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 33.96 3ii3 s VAL 78 CO -0.05 0.24 0.31 0.47 0.00 0.00 0.00 175.10 176.07 3ii3 n ASP 79 N 4.61 0.94 -0.15 3.32 8.00 -1.03 -2.83 116.55 129.40 3ii3 n ASP 79 Ca -0.17 -1.63 -0.05 0.00 0.71 0.00 0.00 54.79 53.65 3ii3 n ASP 79 Cb 0.47 -0.15 0.14 0.00 -0.02 0.00 0.00 41.12 41.55 3ii3 n ASP 79 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3ii3 h LYS 80 N 0.00 0.89 0.00 -1.24 1.57 -1.99 -2.55 116.57 113.25 3ii3 h LYS 80 Ca -0.11 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3ii3 h LYS 80 Cb 0.50 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3ii3 h LYS 80 CO 0.16 0.85 0.00 -0.40 -0.57 0.00 0.00 179.45 179.49 3ii3 n ASP 81 N -4.23 0.00 0.00 0.86 5.68 -1.26 -4.74 116.55 112.86 3ii3 n ASP 81 Ca 0.03 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 3ii3 n ASP 81 Cb 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3ii3 n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ii3 n GLY 82 N 0.12 0.39 3.86 6.12 0.00 -0.96 -5.04 105.19 109.69 3ii3 n GLY 82 Ca 0.10 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 3ii3 n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ii3 s LYS 83 N -2.20 3.89 -0.04 1.61 2.20 -1.25 -4.91 119.74 119.04 3ii3 s LYS 83 Ca 0.00 0.39 0.03 0.00 -0.36 0.00 0.00 55.97 56.03 3ii3 s LYS 83 Cb 0.00 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 3ii3 s LYS 83 CO 0.00 0.40 -0.14 0.42 -0.36 0.00 0.00 175.35 175.66 3ii3 s ILE 84 N -1.64 1.22 -0.01 5.43 1.01 -1.26 -2.48 121.20 123.47 3ii3 s ILE 84 Ca 0.43 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3ii3 s ILE 84 Cb -0.13 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.28 3ii3 s ILE 84 CO 0.20 0.36 0.01 -0.70 0.00 0.00 0.00 174.94 174.81 3ii3 s GLU 85 N 0.22 0.04 0.05 2.79 2.12 -1.10 -5.03 118.70 117.80 3ii3 s GLU 85 Ca -0.06 0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.38 3ii3 s GLU 85 Cb -0.12 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.11 3ii3 s GLU 85 CO 0.02 -0.05 -0.18 -1.21 -0.54 0.00 0.00 175.26 173.30 3ii3 s GLU 86 N 0.39 1.13 -0.14 4.30 2.02 -1.26 -2.20 118.70 122.93 3ii3 s GLU 86 Ca -0.03 -0.90 -0.09 0.00 0.02 0.00 0.00 54.97 53.97 3ii3 s GLU 86 Cb -0.05 -1.21 0.05 0.00 0.10 0.00 0.00 34.13 33.01 3ii3 s GLU 86 CO -0.01 0.30 0.36 1.03 0.02 0.00 0.00 175.26 176.96 3ii3 s ARG 87 N -1.29 0.36 0.24 1.61 0.52 -1.18 -4.99 118.95 114.23 3ii3 s ARG 87 Ca 0.04 0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 55.59 3ii3 s ARG 87 Cb -0.09 0.03 -0.09 0.00 0.52 0.00 0.00 34.95 35.33 3ii3 s ARG 87 CO 0.02 -0.12 1.22 0.99 0.02 0.00 0.00 175.30 177.43 3ii3 s THR 88 N 0.95 3.30 -0.42 0.02 2.01 -1.26 -0.38 115.64 119.85 3ii3 s THR 88 Ca -0.06 1.18 0.04 0.00 0.31 0.00 0.00 61.69 63.16 3ii3 s THR 88 Cb -0.07 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.70 3ii3 s THR 88 CO -0.07 0.23 0.46 1.33 -0.69 0.00 0.00 174.62 175.88 3ii3 n VAL 89 N 1.85 0.00 -3.60 3.82 0.24 0.17 -4.90 118.33 115.90 3ii3 n VAL 89 Ca 0.02 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.77 3ii3 n VAL 89 Cb 0.44 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 3ii3 n VAL 89 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ii3 s TYR 90 N -0.75 -0.38 -0.27 6.34 5.04 -0.99 -4.96 117.35 121.38 3ii3 s TYR 90 Ca 0.04 0.76 -0.23 0.00 -2.44 0.00 0.00 57.07 55.20 3ii3 s TYR 90 Cb 0.03 0.42 0.07 0.00 0.35 0.00 0.00 41.96 42.84 3ii3 s TYR 90 CO 0.10 -0.28 0.72 0.45 -1.34 0.00 0.00 175.55 175.20 3ii3 s SER 91 N -0.60 -0.79 -0.12 4.32 0.15 -1.26 -1.27 113.70 114.12 3ii3 s SER 91 Ca 0.01 1.45 -0.10 0.00 0.70 0.00 0.00 55.95 58.01 3ii3 s SER 91 Cb -0.02 1.44 0.04 0.00 -1.71 0.00 0.00 66.02 65.76 3ii3 s SER 91 CO -0.02 -0.25 0.31 -0.51 1.20 0.00 0.00 173.24 173.97 3ii3 s ILE 92 N 0.68 -0.01 -0.06 6.45 2.07 0.25 -4.98 121.20 125.59 3ii3 s ILE 92 Ca -0.02 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3ii3 s ILE 92 Cb -0.05 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 3ii3 s ILE 92 CO -0.04 0.01 0.00 -1.61 -1.91 0.00 0.00 174.94 171.40 3ii3 s GLU 93 N 0.47 2.94 0.09 3.50 2.02 -1.26 -0.42 118.70 126.04 3ii3 s GLU 93 Ca -0.02 -0.46 -0.27 0.00 0.02 0.00 0.00 54.97 54.24 3ii3 s GLU 93 Cb -0.04 -2.77 0.08 0.00 0.10 0.00 0.00 34.13 31.50 3ii3 s GLU 93 CO -0.02 0.68 1.01 -0.08 0.02 0.00 0.00 175.26 176.87 3ii3 s THR 94 N -0.94 0.00 0.54 3.63 -1.32 0.99 -4.99 115.64 113.55 3ii3 s THR 94 Ca 0.15 -0.48 -0.21 0.00 -1.21 0.00 0.00 61.69 59.94 3ii3 s THR 94 Cb -0.11 -1.83 -0.05 0.00 -1.51 0.00 0.00 72.50 69.00 3ii3 s THR 94 CO 0.04 0.00 1.29 -0.31 -2.21 0.00 0.00 174.62 173.43 3ii3 s TYR 95 N -3.10 2.41 0.08 9.09 2.02 -1.25 0.98 117.35 127.58 3ii3 s TYR 95 Ca 0.11 1.44 -0.14 0.00 -0.37 0.00 0.00 57.07 58.12 3ii3 s TYR 95 Cb -0.00 -3.65 -0.20 0.00 -0.40 0.00 0.00 41.96 37.71 3ii3 s TYR 95 CO -0.01 -2.50 1.24 2.35 -1.57 0.00 0.00 175.55 175.07 3ii3 h TRP 96 N 1.41 1.03 -0.13 2.71 -0.00 -1.58 -3.06 115.95 116.32 3ii3 h TRP 96 Ca -0.50 -0.51 0.04 0.00 -0.00 0.00 0.00 58.89 57.92 3ii3 h TRP 96 Cb 1.29 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 30.31 3ii3 h TRP 96 CO 0.47 1.34 0.11 1.12 -0.00 0.00 0.00 178.44 181.48 3ii3 h HIS 97 N 0.43 0.00 0.39 2.65 2.07 -1.93 0.20 115.15 118.96 3ii3 h HIS 97 Ca -0.09 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.41 3ii3 h HIS 97 Cb 1.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.51 3ii3 h HIS 97 CO 0.10 0.00 -0.19 0.82 -3.07 0.00 0.00 177.93 175.59 3ii3 h ILE 98 N 0.00 0.40 -0.64 6.12 2.04 -1.95 -2.99 117.51 120.48 3ii3 h ILE 98 Ca 0.06 -0.64 0.13 0.00 1.00 0.00 0.00 64.86 65.41 3ii3 h ILE 98 Cb 0.29 0.61 -0.12 0.00 -0.74 0.00 0.00 36.82 36.86 3ii3 h ILE 98 CO -0.00 0.08 -0.20 0.15 0.00 0.00 0.00 178.15 178.18 3ii3 h PHE 99 N -0.98 -0.48 -0.26 1.37 3.57 -1.09 0.20 116.94 119.27 3ii3 h PHE 99 Ca -0.05 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3ii3 h PHE 99 Cb 0.54 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3ii3 h PHE 99 CO 0.02 -0.31 0.05 0.97 -2.23 0.00 0.00 178.31 176.81 3ii3 h ILE 100 N -0.04 1.14 0.00 1.41 2.10 -1.12 -1.18 117.51 119.82 3ii3 h ILE 100 Ca 0.30 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.73 3ii3 h ILE 100 Cb 0.50 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 3ii3 h ILE 100 CO -0.68 0.18 0.00 -0.78 -1.08 0.00 0.00 178.15 175.79 3ii3 h ASP 101 N 0.37 0.00 -0.20 2.19 3.58 -0.81 -3.11 116.42 118.45 3ii3 h ASP 101 Ca 0.09 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.55 3ii3 h ASP 101 Cb 0.18 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3ii3 h ASP 101 CO -0.00 0.00 0.13 0.40 -2.88 0.00 0.00 179.24 176.89 3ii3 h ILE 102 N 0.00 1.02 -0.64 2.25 2.04 -0.73 -2.31 117.51 119.14 3ii3 h ILE 102 Ca 0.00 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.91 3ii3 h ILE 102 Cb 0.58 0.79 -0.12 0.00 -0.74 0.00 0.00 36.82 37.33 3ii3 h ILE 102 CO 0.00 0.04 -0.19 -0.33 0.00 0.00 0.00 178.15 177.66 3ii3 h GLU 103 N 0.22 -0.03 0.00 2.37 5.08 -1.67 -1.76 114.58 118.78 3ii3 h GLU 103 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ii3 h GLU 103 Cb 0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ii3 h GLU 103 CO -0.02 -0.02 0.00 0.09 -1.00 0.00 0.00 179.01 178.06 3ii3 n ASN 104 N -5.44 0.00 -4.60 1.42 3.02 -0.88 -4.80 115.26 103.98 3ii3 n ASN 104 Ca 0.07 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.31 3ii3 n ASN 104 Cb 0.34 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3ii3 n ASN 104 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ii3 s ASP 105 N -2.69 5.90 0.12 6.41 -1.08 -0.66 -4.87 116.67 119.80 3ii3 s ASP 105 Ca 0.18 1.31 -0.27 0.00 -0.52 0.00 0.00 52.55 53.26 3ii3 s ASP 105 Cb 0.15 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 39.02 3ii3 s ASP 105 CO 0.35 -1.70 1.63 -0.07 0.52 0.00 0.00 175.17 175.90 3ii3 h LEU 106 N 13.64 -0.79 -7.82 -1.34 3.38 -1.87 -3.34 115.31 117.16 3ii3 h LEU 106 Ca -0.34 0.10 -0.72 0.00 0.09 0.00 0.00 57.88 57.01 3ii3 h LEU 106 Cb 1.17 0.31 -0.31 0.00 0.09 0.00 0.00 40.66 41.92 3ii3 h LEU 106 CO 1.03 -0.35 -0.36 0.20 0.09 0.00 0.00 178.44 179.05 3ii3 s ASN 107 N -4.85 5.62 -0.11 -0.43 0.01 -1.26 -5.00 114.94 108.91 3ii3 s ASN 107 Ca -0.15 -2.24 -0.30 0.00 -0.71 0.00 0.00 52.86 49.45 3ii3 s ASN 107 Cb 0.09 -1.96 0.11 0.00 0.41 0.00 0.00 41.25 39.90 3ii3 s ASN 107 CO 0.65 -0.58 0.91 0.00 -1.51 0.00 0.00 177.10 176.58 3ii3 n PRO 109 N 0.58 1.15 0.25 0.00 -0.02 -1.26 -4.75 135.00 130.95 3ii3 n PRO 109 Ca -0.12 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.68 3ii3 n PRO 109 Cb 0.58 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 3ii3 n PRO 109 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ii3 h TYR 110 N 3.78 -0.60 -1.17 6.00 3.20 -1.98 -0.10 116.97 126.10 3ii3 h TYR 110 Ca -0.45 -0.01 0.35 0.00 3.14 0.00 0.00 58.73 61.76 3ii3 h TYR 110 Cb 1.34 0.20 -0.11 0.00 1.54 0.00 0.00 36.73 39.70 3ii3 h TYR 110 CO 0.56 -0.37 0.76 -0.24 -1.64 0.00 0.00 178.16 177.22 3ii3 h VAL 111 N -0.67 0.32 0.02 1.81 3.04 -1.98 1.23 116.25 120.03 3ii3 h VAL 111 Ca -0.07 -0.08 -0.00 0.00 -1.01 0.00 0.00 66.70 65.54 3ii3 h VAL 111 Cb 0.50 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 3ii3 h VAL 111 CO 0.11 0.04 -0.01 0.25 -1.01 0.00 0.00 177.57 176.95 3ii3 h LEU 112 N 0.23 -0.02 -0.47 3.16 5.85 -1.90 0.25 115.31 122.42 3ii3 h LEU 112 Ca 0.71 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 59.14 3ii3 h LEU 112 Cb 2.04 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 43.00 3ii3 h LEU 112 CO -0.36 0.36 0.01 0.00 -0.34 0.00 0.00 178.44 178.12 3ii3 h ALA 113 N 0.55 0.45 -0.43 1.25 0.00 0.26 -2.43 119.26 118.90 3ii3 h ALA 113 Ca -0.00 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ii3 h ALA 113 Cb 0.40 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3ii3 h ALA 113 CO 0.00 -0.38 0.23 -0.22 0.00 0.00 0.00 179.25 178.89 3ii3 h LYS 114 N 0.13 0.45 0.37 0.00 1.63 0.13 -2.69 116.57 116.60 3ii3 h LYS 114 Ca 0.23 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3ii3 h LYS 114 Cb 0.34 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 3ii3 h LYS 114 CO -0.38 0.30 -0.51 0.35 -3.45 0.00 0.00 179.45 175.77 3ii3 h PHE 115 N 0.47 -1.43 -0.96 1.91 3.57 -0.02 0.11 116.94 120.59 3ii3 h PHE 115 Ca 0.18 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.90 3ii3 h PHE 115 Cb 0.06 0.57 -0.11 0.00 2.79 0.00 0.00 35.95 39.26 3ii3 h PHE 115 CO -0.09 -0.64 0.54 0.82 -2.23 0.00 0.00 178.31 176.71 3ii3 h ILE 116 N -0.91 0.63 -0.05 1.41 2.04 -1.53 -0.23 117.51 118.87 3ii3 h ILE 116 Ca -0.04 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 3ii3 h ILE 116 Cb 0.83 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3ii3 h ILE 116 CO -0.13 0.12 -0.61 -0.08 0.00 0.00 0.00 178.15 177.44 3ii3 h GLU 117 N 0.63 0.19 0.00 2.37 4.81 -0.96 -2.77 114.58 118.85 3ii3 h GLU 117 Ca 0.57 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3ii3 h GLU 117 Cb 0.96 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3ii3 h GLU 117 CO -0.43 0.74 0.00 -1.33 -0.73 0.00 0.00 179.01 177.27 3ii3 n MET 118 N -3.86 0.98 -1.26 1.92 2.81 0.29 -4.94 117.12 113.07 3ii3 n MET 118 Ca -0.02 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.46 3ii3 n MET 118 Cb 0.62 -1.19 -0.01 0.00 -0.71 0.00 0.00 33.22 31.93 3ii3 n MET 118 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3ii3 n ARG 119 N -0.69 0.00 -2.41 0.03 1.85 -1.05 -4.60 116.66 109.79 3ii3 n ARG 119 Ca 0.09 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.54 3ii3 n ARG 119 Cb 0.04 -0.95 -0.04 0.00 -1.05 0.00 0.00 32.46 30.46 3ii3 n ARG 119 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3ii3 s PRO 120 N -0.95 4.48 0.99 2.89 0.04 -1.26 -4.87 135.00 136.32 3ii3 s PRO 120 Ca 0.58 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 3ii3 s PRO 120 Cb -0.67 -3.05 0.19 0.00 0.04 0.00 0.00 34.50 31.01 3ii3 s PRO 120 CO 0.58 0.06 1.09 -1.21 0.04 0.00 0.00 177.00 177.57 3ii3 s GLU 121 N -1.70 0.44 0.13 4.56 2.02 -1.26 -4.68 118.70 118.21 3ii3 s GLU 121 Ca 0.48 1.14 -0.35 0.00 0.02 0.00 0.00 54.97 56.26 3ii3 s GLU 121 Cb -0.32 -1.69 -0.16 0.00 0.10 0.00 0.00 34.13 32.06 3ii3 s GLU 121 CO 0.41 -2.90 1.29 0.34 0.02 0.00 0.00 175.26 174.43 3ii3 n PHE 122 N -4.38 1.50 -3.40 1.61 7.35 -1.26 -2.31 117.46 116.58 3ii3 n PHE 122 Ca 0.08 0.62 -0.25 0.00 -0.76 0.00 0.00 57.45 57.14 3ii3 n PHE 122 Cb 0.53 -2.33 0.01 0.00 0.35 0.00 0.00 39.48 38.05 3ii3 n PHE 122 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3ii3 n HIS 123 N 2.18 -1.96 -4.10 -5.13 8.25 0.12 -4.94 115.22 109.63 3ii3 n HIS 123 Ca 0.17 0.58 -0.11 0.00 -0.26 0.00 0.00 57.72 58.10 3ii3 n HIS 123 Cb 0.22 -3.58 -0.08 0.00 1.12 0.00 0.00 29.99 27.67 3ii3 n HIS 123 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3ii3 s LYS 124 N -6.07 1.38 0.50 -0.41 1.02 -0.98 -4.94 119.74 110.25 3ii3 s LYS 124 Ca 0.44 -1.45 0.04 0.00 0.02 0.00 0.00 55.97 55.01 3ii3 s LYS 124 Cb -0.22 0.37 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 3ii3 s LYS 124 CO 0.54 -0.52 0.70 0.95 -0.92 0.00 0.00 175.35 176.10 3ii3 s THR 125 N -4.08 2.81 0.30 2.17 -4.23 -1.26 -3.63 115.64 107.72 3ii3 s THR 125 Ca 0.31 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 3ii3 s THR 125 Cb 0.03 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.92 3ii3 s THR 125 CO 0.11 -0.01 0.41 0.00 -0.54 0.00 0.00 174.62 174.59 3ii3 n ALA 126 N -2.17 0.14 -3.63 3.99 0.00 -1.26 -4.36 120.51 113.22 3ii3 n ALA 126 Ca 0.08 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.54 3ii3 n ALA 126 Cb 0.59 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 3ii3 n ALA 126 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ii3 s TRP 127 N -1.09 -0.77 -0.17 0.00 -0.11 -1.26 -4.98 118.94 110.55 3ii3 s TRP 127 Ca 0.28 1.87 -0.14 0.00 1.22 0.00 0.00 56.10 59.33 3ii3 s TRP 127 Cb -0.02 0.28 -0.04 0.00 -1.50 0.00 0.00 33.47 32.19 3ii3 s TRP 127 CO 0.18 -0.38 0.32 0.08 -4.62 0.00 0.00 176.95 172.54 3ii3 s VAL 128 N 0.34 5.27 0.61 5.86 1.01 -1.26 -5.08 120.40 127.15 3ii3 s VAL 128 Ca -0.00 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 3ii3 s VAL 128 Cb -0.05 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3ii3 s VAL 128 CO 0.01 0.34 1.26 -1.61 0.00 0.00 0.00 175.10 175.11 3ii3 s GLU 129 N 0.75 2.80 -0.91 2.72 8.01 -1.26 -4.69 118.70 126.12 3ii3 s GLU 129 Ca 0.17 1.98 -0.24 0.00 0.01 0.00 0.00 54.97 56.89 3ii3 s GLU 129 Cb -0.14 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.76 3ii3 s GLU 129 CO 0.05 -1.38 1.66 -2.00 0.01 0.00 0.00 175.26 173.60 3ii3 s GLU 130 N -3.30 3.07 0.18 1.61 2.12 -1.26 -4.74 118.70 116.38 3ii3 s GLU 130 Ca 0.79 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 55.61 3ii3 s GLU 130 Cb -0.35 -5.05 -0.04 0.00 0.26 0.00 0.00 34.13 28.96 3ii3 s GLU 130 CO 0.38 -2.69 0.18 0.45 -0.54 0.00 0.00 175.26 173.03 3ii3 s SER 131 N 6.29 5.68 0.00 -1.70 0.15 -1.26 -5.01 113.70 117.85 3ii3 s SER 131 Ca 0.56 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.12 3ii3 s SER 131 Cb -0.04 -1.53 -0.00 0.00 -1.71 0.00 0.00 66.02 62.74 3ii3 s SER 131 CO -0.01 0.04 0.13 -0.46 1.20 0.00 0.00 173.24 174.14 3ii3 n ASN 132 N -0.54 0.26 -4.75 5.45 0.23 -1.26 -5.05 115.26 109.59 3ii3 n ASN 132 Ca -0.08 -0.63 -0.36 0.00 -0.53 0.00 0.00 54.58 52.98 3ii3 n ASN 132 Cb 0.55 0.76 0.03 0.00 -2.08 0.00 0.00 39.78 39.05 3ii3 n ASN 132 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3ii3 s TYR 133 N -0.79 2.38 0.07 -2.53 5.04 -1.26 -5.07 117.35 115.19 3ii3 s TYR 133 Ca 0.00 1.51 0.01 0.00 -2.44 0.00 0.00 57.07 56.15 3ii3 s TYR 133 Cb 0.00 -3.51 -0.04 0.00 0.35 0.00 0.00 41.96 38.77 3ii3 s TYR 133 CO 0.01 -2.27 -0.05 -1.12 -1.34 0.00 0.00 175.55 170.77 3ii3 s SER 134 N -1.54 0.83 0.04 4.32 0.01 -1.26 -4.54 113.70 111.56 3ii3 s SER 134 Ca 0.77 -0.90 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 3ii3 s SER 134 Cb -0.31 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 3ii3 s SER 134 CO 0.34 -0.46 0.27 0.27 0.41 0.00 0.00 173.24 174.08 3ii3 s ILE 135 N -3.24 5.30 0.23 1.44 -4.36 -1.08 -5.01 121.20 114.48 3ii3 s ILE 135 Ca 0.05 0.02 -0.09 0.00 -0.26 0.00 0.00 60.65 60.36 3ii3 s ILE 135 Cb 0.03 -3.59 0.28 0.00 1.25 0.00 0.00 42.46 40.43 3ii3 s ILE 135 CO -0.05 0.25 1.63 0.00 0.24 0.00 0.00 174.94 177.01 3ii3 h ALA 136 N 3.57 0.64 -2.31 2.27 0.00 -2.02 -3.44 119.26 117.97 3ii3 h ALA 136 Ca -0.48 0.25 -0.51 0.00 0.00 0.00 0.00 54.91 54.17 3ii3 h ALA 136 Cb 1.18 0.47 0.14 0.00 0.00 0.00 0.00 17.79 19.58 3ii3 h ALA 136 CO 0.69 -0.42 0.30 -1.21 0.00 0.00 0.00 179.25 178.61 3ii3 s GLU 137 N -6.17 2.03 0.49 0.00 8.01 -1.26 -5.08 118.70 116.73 3ii3 s GLU 137 Ca -0.14 1.19 0.09 0.00 0.01 0.00 0.00 54.97 56.12 3ii3 s GLU 137 Cb 0.21 -1.87 0.04 0.00 -4.31 0.00 0.00 34.13 28.21 3ii3 s GLU 137 CO 0.75 -1.81 0.64 0.16 0.01 0.00 0.00 175.26 175.01 3ii3 s ASP 138 N -3.31 5.32 0.20 -0.19 1.47 -1.26 -4.90 116.67 114.01 3ii3 s ASP 138 Ca 0.62 -0.67 -0.12 0.00 1.18 0.00 0.00 52.55 53.56 3ii3 s ASP 138 Cb -0.18 -0.20 0.25 0.00 -0.34 0.00 0.00 42.92 42.46 3ii3 s ASP 138 CO 0.56 -1.01 1.66 -2.24 0.68 0.00 0.00 175.17 174.83 3ii3 h ASP 139 N 0.49 -0.30 0.68 2.11 2.03 -1.98 -0.96 116.42 118.49 3ii3 h ASP 139 Ca -0.36 0.15 -0.03 0.00 -0.73 0.00 0.00 57.03 56.06 3ii3 h ASP 139 Cb 1.28 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 40.05 3ii3 h ASP 139 CO 0.45 -0.12 -0.37 0.40 -1.03 0.00 0.00 179.24 178.58 3ii3 h ILE 140 N 0.10 0.00 -0.81 4.15 1.08 -2.00 -1.65 117.51 118.38 3ii3 h ILE 140 Ca 0.30 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.92 3ii3 h ILE 140 Cb 0.47 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.16 3ii3 h ILE 140 CO -0.51 0.00 0.54 1.56 -0.69 0.00 0.00 178.15 179.05 3ii3 h GLN 141 N -0.96 0.46 0.29 2.37 4.20 -1.90 -1.00 115.11 118.56 3ii3 h GLN 141 Ca -0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3ii3 h GLN 141 Cb 0.75 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3ii3 h GLN 141 CO 0.12 0.30 -0.14 1.98 -0.67 0.00 0.00 178.83 180.43 3ii3 h MET 142 N 0.47 -0.37 -0.66 1.46 4.05 -0.88 -0.26 114.93 118.75 3ii3 h MET 142 Ca 0.40 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.89 3ii3 h MET 142 Cb 0.88 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.72 3ii3 h MET 142 CO -0.15 -0.06 0.39 0.28 0.23 0.00 0.00 176.91 177.61 3ii3 h VAL 143 N -0.70 1.04 0.94 -5.77 2.07 -0.76 -2.02 116.25 111.05 3ii3 h VAL 143 Ca -0.04 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3ii3 h VAL 143 Cb 0.48 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3ii3 h VAL 143 CO 0.06 0.14 -0.48 -0.33 0.02 0.00 0.00 177.57 176.98 3ii3 h GLU 144 N 0.75 -1.25 -0.89 1.57 4.39 -0.93 0.16 114.58 118.39 3ii3 h GLU 144 Ca 0.28 0.09 0.24 0.00 0.34 0.00 0.00 59.36 60.30 3ii3 h GLU 144 Cb 0.09 0.28 -0.15 0.00 -0.10 0.00 0.00 28.75 28.87 3ii3 h GLU 144 CO -0.14 -0.83 0.17 0.66 -1.16 0.00 0.00 179.01 177.71 3ii3 h SER 145 N -1.30 -0.15 0.05 1.42 4.64 -0.99 1.16 113.55 118.38 3ii3 h SER 145 Ca -0.13 0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3ii3 h SER 145 Cb 1.00 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 3ii3 h SER 145 CO 0.19 -0.22 -0.10 0.40 -0.87 0.00 0.00 176.83 176.24 3ii3 h ILE 146 N 0.14 0.76 0.48 0.95 2.04 -1.05 0.18 117.51 121.00 3ii3 h ILE 146 Ca 0.55 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.40 3ii3 h ILE 146 Cb 1.13 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3ii3 h ILE 146 CO -0.72 0.00 -0.36 0.50 0.00 0.00 0.00 178.15 177.57 3ii3 h LYS 147 N -0.19 -0.79 -0.52 2.37 3.64 0.14 -1.55 116.57 119.67 3ii3 h LYS 147 Ca 0.02 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 3ii3 h LYS 147 Cb 0.21 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3ii3 h LYS 147 CO -0.07 -0.52 0.38 -0.09 -2.27 0.00 0.00 179.45 176.88 3ii3 h ARG 148 N -0.82 0.00 0.03 1.90 2.43 0.13 -1.27 114.38 116.79 3ii3 h ARG 148 Ca -0.05 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3ii3 h ARG 148 Cb 0.69 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3ii3 h ARG 148 CO 0.01 0.00 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.34 3ii3 h TYR 149 N 0.00 0.16 -0.24 2.20 3.20 -0.10 -3.20 116.97 118.99 3ii3 h TYR 149 Ca 0.25 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 3ii3 h TYR 149 Cb 1.00 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 3ii3 h TYR 149 CO 0.00 1.03 -0.37 -0.07 -1.64 0.00 0.00 178.16 177.11 3ii3 h LEU 150 N -0.75 0.57 -0.04 2.82 3.38 -0.99 -1.50 115.31 118.80 3ii3 h LEU 150 Ca -0.03 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3ii3 h LEU 150 Cb 1.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 3ii3 h LEU 150 CO 0.04 0.89 -0.45 -0.33 0.09 0.00 0.00 178.44 178.68 3ii3 h GLU 151 N 0.45 -0.52 -0.55 1.13 4.39 -1.34 -0.68 114.58 117.46 3ii3 h GLU 151 Ca 0.05 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.84 3ii3 h GLU 151 Cb 0.85 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 3ii3 h GLU 151 CO 0.07 -0.35 0.25 0.00 -1.16 0.00 0.00 179.01 177.83 3ii3 h ARG 152 N -0.54 0.46 0.00 2.33 3.08 -1.53 -1.00 114.38 117.19 3ii3 h ARG 152 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ii3 h ARG 152 Cb 0.59 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3ii3 h ARG 152 CO -0.32 0.31 0.08 1.17 -1.07 0.00 0.00 179.97 180.13 3ii3 n LYS 153 N -4.92 0.05 0.00 0.04 3.00 -0.58 -5.14 118.16 110.61 3ii3 n LYS 153 Ca 0.06 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 3ii3 n LYS 153 Cb 0.18 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.49 3ii3 n LYS 153 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51