#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq2 s ASP 25 N 0.00 7.19 -0.37 7.83 2.15 -1.26 -5.05 116.67 127.17 3iq2 s ASP 25 Ca 0.00 1.43 -0.16 0.00 0.43 0.00 0.00 52.55 54.24 3iq2 s ASP 25 Cb 0.00 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3iq2 s ASP 25 CO 0.00 0.23 0.42 -0.70 -0.17 0.00 0.00 175.17 174.94 3iq2 s GLU 26 N -1.21 3.41 0.22 4.34 2.12 -1.26 -5.06 118.70 121.27 3iq2 s GLU 26 Ca 0.33 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 3iq2 s GLU 26 Cb -0.21 -3.86 -0.10 0.00 0.26 0.00 0.00 34.13 30.22 3iq2 s GLU 26 CO 0.22 -0.66 1.45 -1.25 -0.54 0.00 0.00 175.26 174.48 3iq2 s PRO 27 N 2.13 4.27 0.04 4.30 0.04 -1.26 -5.01 135.00 139.51 3iq2 s PRO 27 Ca 0.13 2.27 0.06 0.00 0.04 0.00 0.00 61.00 63.50 3iq2 s PRO 27 Cb -0.16 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 3iq2 s PRO 27 CO 0.13 -0.44 -0.13 0.34 0.04 0.00 0.00 177.00 176.94 3iq2 s ASP 28 N 0.55 4.16 0.00 6.66 2.15 -1.26 -5.04 116.67 123.90 3iq2 s ASP 28 Ca 0.61 -0.33 0.31 0.00 0.43 0.00 0.00 52.55 53.58 3iq2 s ASP 28 Cb -0.41 -0.80 1.64 0.00 -0.30 0.00 0.00 42.92 43.04 3iq2 s ASP 28 CO 0.40 0.25 2.11 0.18 -0.17 0.00 0.00 175.17 177.94 3iq2 n LEU 29 N 1.43 0.00 -2.79 -1.34 4.77 -1.26 -4.91 117.00 112.91 3iq2 n LEU 29 Ca -0.15 0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 55.81 3iq2 n LEU 29 Cb 0.52 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3iq2 n LEU 29 CO 0.29 0.00 -0.09 0.29 -1.33 0.00 0.00 177.39 176.55 3iq2 n LYS 30 N -1.20 -3.83 -2.66 3.23 4.76 -1.26 -4.98 118.16 112.22 3iq2 n LYS 30 Ca 0.17 0.94 -0.37 0.00 -2.87 0.00 0.00 58.31 56.18 3iq2 n LYS 30 Cb 0.20 -5.73 -0.05 0.00 -1.84 0.00 0.00 35.03 27.61 3iq2 n LYS 30 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3iq2 s ASP 31 N -2.50 7.11 -0.02 4.39 1.01 -1.26 -5.07 116.67 120.33 3iq2 s ASP 31 Ca 0.20 1.96 0.02 0.00 0.71 0.00 0.00 52.55 55.44 3iq2 s ASP 31 Cb -0.09 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3iq2 s ASP 31 CO 0.25 -0.24 -0.08 -0.76 0.21 0.00 0.00 175.17 174.55 3iq2 s LEU 32 N -2.22 1.86 -0.19 1.23 1.43 -1.26 -4.45 118.68 115.08 3iq2 s LEU 32 Ca 0.52 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3iq2 s LEU 32 Cb -0.21 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.55 3iq2 s LEU 32 CO 0.27 0.07 -0.16 -0.36 0.23 0.00 0.00 176.35 176.41 3iq2 s PHE 33 N 0.07 2.64 -0.07 0.29 0.08 0.19 -4.98 117.98 116.20 3iq2 s PHE 33 Ca -0.01 -1.64 0.05 0.00 0.12 0.00 0.00 56.93 55.45 3iq2 s PHE 33 Cb -0.07 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 3iq2 s PHE 33 CO 0.00 -0.78 -0.24 0.42 -0.10 0.00 0.00 175.22 174.53 3iq2 s ILE 34 N 1.33 1.99 0.13 0.64 1.01 -1.26 -0.81 121.20 124.22 3iq2 s ILE 34 Ca 0.02 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 59.76 3iq2 s ILE 34 Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3iq2 s ILE 34 CO -0.11 0.55 -0.22 0.42 0.00 0.00 0.00 174.94 175.59 3iq2 s THR 35 N 0.09 2.58 -0.15 2.92 -4.23 -0.39 -4.98 115.64 111.49 3iq2 s THR 35 Ca -0.10 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3iq2 s THR 35 Cb -0.15 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.55 3iq2 s THR 35 CO 0.06 0.07 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.47 3iq2 s VAL 36 N -1.16 1.01 0.00 2.29 1.01 -1.26 -1.90 120.40 120.40 3iq2 s VAL 36 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3iq2 s VAL 36 Cb -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3iq2 s VAL 36 CO 0.09 0.18 0.00 -0.90 0.00 0.00 0.00 175.10 174.47 3iq2 n ASP 37 N 4.92 0.00 -3.91 3.32 5.75 -0.52 -4.91 116.55 121.20 3iq2 n ASP 37 Ca -0.12 -0.98 -0.37 0.00 -0.01 0.00 0.00 54.79 53.32 3iq2 n ASP 37 Cb 0.48 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.59 3iq2 n ASP 37 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3iq2 n GLU 38 N 0.00 -1.01 -1.85 0.11 2.13 -1.26 -0.18 120.64 118.58 3iq2 n GLU 38 Ca 0.00 0.27 -0.41 0.00 0.66 0.00 0.00 57.16 57.68 3iq2 n GLU 38 Cb 0.00 -3.48 -0.01 0.00 0.27 0.00 0.00 31.44 28.22 3iq2 n GLU 38 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3iq2 s PRO 39 N -6.72 4.15 0.05 5.31 0.04 -1.26 -3.96 135.00 132.62 3iq2 s PRO 39 Ca 0.41 2.51 0.02 0.00 0.04 0.00 0.00 61.00 63.98 3iq2 s PRO 39 Cb -0.19 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 3iq2 s PRO 39 CO 0.92 -0.52 -0.08 -1.21 0.04 0.00 0.00 177.00 176.15 3iq2 s GLU 40 N -1.35 0.59 -0.18 4.56 2.02 -0.02 -4.97 118.70 119.35 3iq2 s GLU 40 Ca 0.57 -0.86 -0.24 0.00 0.02 0.00 0.00 54.97 54.46 3iq2 s GLU 40 Cb -0.46 -0.29 -0.02 0.00 0.10 0.00 0.00 34.13 33.47 3iq2 s GLU 40 CO 0.55 0.04 0.76 -1.54 0.02 0.00 0.00 175.26 175.09 3iq2 s SER 41 N -1.83 6.85 -0.41 -0.19 1.04 -1.26 -0.74 113.70 117.16 3iq2 s SER 41 Ca -0.06 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.29 3iq2 s SER 41 Cb -0.07 -2.42 0.05 0.00 0.10 0.00 0.00 66.02 63.68 3iq2 s SER 41 CO -0.00 -0.36 0.28 -2.28 0.98 0.00 0.00 173.24 171.85 3iq2 s HIS 42 N 2.12 3.26 -0.50 5.02 2.46 0.60 -4.96 115.29 123.29 3iq2 s HIS 42 Ca 0.35 -1.02 -0.17 0.00 0.47 0.00 0.00 55.06 54.69 3iq2 s HIS 42 Cb -0.16 -2.75 0.08 0.00 -0.13 0.00 0.00 32.58 29.61 3iq2 s HIS 42 CO 0.11 -0.72 0.49 0.08 -2.47 0.00 0.00 174.74 172.23 3iq2 s VAL 43 N 1.57 5.11 0.71 0.89 1.01 -1.26 -1.59 120.40 126.83 3iq2 s VAL 43 Ca 0.03 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3iq2 s VAL 43 Cb -0.21 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.08 3iq2 s VAL 43 CO 0.06 -0.72 0.97 0.42 0.00 0.00 0.00 175.10 175.84 3iq2 s THR 44 N 1.97 2.03 0.39 3.92 -4.23 0.07 -4.99 115.64 114.81 3iq2 s THR 44 Ca 0.07 -0.71 0.22 0.00 -1.18 0.00 0.00 61.69 60.10 3iq2 s THR 44 Cb -0.24 -2.33 0.23 0.00 1.34 0.00 0.00 72.50 71.51 3iq2 s THR 44 CO 0.07 0.00 2.00 0.74 -0.54 0.00 0.00 174.62 176.89 3iq2 h THR 45 N -0.42 0.79 -0.02 3.99 2.02 -2.05 -3.25 112.91 113.96 3iq2 h THR 45 Ca -0.33 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3iq2 h THR 45 Cb 1.27 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3iq2 h THR 45 CO 0.38 0.18 0.00 2.30 0.37 0.00 0.00 175.52 178.75 3iq2 n ILE 46 N -3.82 0.35 -3.63 3.11 -5.35 -1.26 -5.05 119.36 103.72 3iq2 n ILE 46 Ca -0.02 -0.68 -0.06 0.00 -0.27 0.00 0.00 62.75 61.72 3iq2 n ILE 46 Cb 0.28 0.84 -0.06 0.00 -1.74 0.00 0.00 39.64 38.97 3iq2 n ILE 46 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3iq2 s GLU 47 N -0.44 0.32 -0.10 6.28 2.12 -1.23 -5.15 118.70 120.51 3iq2 s GLU 47 Ca 0.02 0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.60 3iq2 s GLU 47 Cb 0.01 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 3iq2 s GLU 47 CO 0.02 -0.07 -0.19 0.99 -0.54 0.00 0.00 175.26 175.47 3iq2 s THR 48 N -0.43 2.52 0.11 -1.70 2.01 -1.26 -0.75 115.64 116.15 3iq2 s THR 48 Ca 0.04 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 3iq2 s THR 48 Cb -0.03 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.48 3iq2 s THR 48 CO -0.07 0.55 0.26 0.72 -0.69 0.00 0.00 174.62 175.39 3iq2 s PHE 49 N 0.23 0.13 0.01 4.92 -0.12 -0.62 -4.97 117.98 117.56 3iq2 s PHE 49 Ca -0.12 -0.53 -0.17 0.00 -0.05 0.00 0.00 56.93 56.06 3iq2 s PHE 49 Cb -0.16 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.18 3iq2 s PHE 49 CO 0.07 -0.62 0.47 0.42 -0.05 0.00 0.00 175.22 175.50 3iq2 s ILE 50 N -3.87 4.95 0.21 -4.49 -1.09 -1.26 -0.29 121.20 115.36 3iq2 s ILE 50 Ca 0.07 0.98 0.09 0.00 -2.23 0.00 0.00 60.65 59.56 3iq2 s ILE 50 Cb 0.04 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 3iq2 s ILE 50 CO -0.09 0.54 -0.18 0.42 -1.23 0.00 0.00 174.94 174.41 3iq2 s THR 51 N -0.88 2.01 -0.05 2.92 -4.23 0.08 -4.34 115.64 111.15 3iq2 s THR 51 Ca 0.26 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 3iq2 s THR 51 Cb -0.17 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 3iq2 s THR 51 CO 0.15 -0.42 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.29 3iq2 s TYR 52 N -2.46 2.07 -0.20 3.99 2.02 -0.02 -0.84 117.35 121.91 3iq2 s TYR 52 Ca 0.22 -0.61 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 3iq2 s TYR 52 Cb -0.04 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 3iq2 s TYR 52 CO 0.09 -0.19 1.03 0.50 -1.57 0.00 0.00 175.55 175.41 3iq2 s ARG 53 N -0.06 4.30 -0.25 -0.62 3.52 0.74 -1.68 118.95 124.90 3iq2 s ARG 53 Ca -0.04 1.36 -0.05 0.00 -0.13 0.00 0.00 55.73 56.87 3iq2 s ARG 53 Cb -0.13 -3.62 -0.00 0.00 -1.56 0.00 0.00 34.95 29.64 3iq2 s ARG 53 CO 0.03 -0.56 0.01 0.42 -0.81 0.00 0.00 175.30 174.40 3iq2 s ILE 54 N 2.92 3.67 -0.17 4.11 -1.09 0.12 -1.43 121.20 129.32 3iq2 s ILE 54 Ca 0.45 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 58.30 3iq2 s ILE 54 Cb -0.16 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.94 3iq2 s ILE 54 CO 0.09 0.28 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.35 3iq2 s ILE 55 N 1.49 3.15 -0.11 2.92 1.01 -0.80 -1.02 121.20 127.85 3iq2 s ILE 55 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3iq2 s ILE 55 Cb -0.16 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.95 3iq2 s ILE 55 CO -0.00 0.48 -0.20 -0.89 0.00 0.00 0.00 174.94 174.33 3iq2 s THR 56 N 0.91 1.79 0.09 2.92 2.01 -0.21 -1.26 115.64 121.89 3iq2 s THR 56 Ca -0.02 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.23 3iq2 s THR 56 Cb -0.15 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 3iq2 s THR 56 CO -0.00 0.50 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.66 3iq2 s LYS 57 N 0.67 1.32 0.00 4.92 1.02 0.01 -1.53 119.74 126.15 3iq2 s LYS 57 Ca -0.12 -1.16 0.19 0.00 0.02 0.00 0.00 55.97 54.90 3iq2 s LYS 57 Cb -0.16 -1.61 0.07 0.00 -0.52 0.00 0.00 37.83 35.61 3iq2 s LYS 57 CO 0.03 0.39 1.04 0.25 -0.92 0.00 0.00 175.35 176.13 3iq2 n THR 58 N 1.26 0.00 -3.71 2.17 -2.24 -0.79 -0.64 114.28 110.33 3iq2 n THR 58 Ca -0.18 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 3iq2 n THR 58 Cb 0.53 1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 70.00 3iq2 n THR 58 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iq2 s SER 59 N -1.89 -0.23 0.00 3.42 0.15 -1.26 -4.48 113.70 109.41 3iq2 s SER 59 Ca 0.19 -0.00 0.28 0.00 0.70 0.00 0.00 55.95 57.12 3iq2 s SER 59 Cb 0.16 0.38 1.03 0.00 -1.71 0.00 0.00 66.02 65.88 3iq2 s SER 59 CO 0.36 -0.58 1.76 0.54 1.20 0.00 0.00 173.24 176.51 3iq2 n ARG 60 N 0.77 0.31 -1.86 5.44 5.12 -1.26 -4.94 116.66 120.24 3iq2 n ARG 60 Ca -0.19 -0.11 -0.29 0.00 -1.93 0.00 0.00 57.85 55.32 3iq2 n ARG 60 Cb 0.58 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.47 3iq2 n ARG 60 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3iq2 s GLY 61 N -2.76 1.60 0.09 -0.13 0.00 -1.26 -5.01 107.32 99.85 3iq2 s GLY 61 Ca 0.20 -0.55 -0.06 0.00 0.00 0.00 0.00 44.72 44.31 3iq2 s GLY 61 CO 0.55 -0.09 1.19 -2.09 0.00 0.00 0.00 173.10 172.67 3iq2 h GLU 62 N -0.98 0.36 -5.68 2.90 4.81 -2.03 -3.48 114.58 110.48 3iq2 h GLU 62 Ca -0.46 -0.51 -0.61 0.00 -0.13 0.00 0.00 59.36 57.65 3iq2 h GLU 62 Cb 1.31 0.17 -0.13 0.00 0.63 0.00 0.00 28.75 30.73 3iq2 h GLU 62 CO 0.65 1.20 -0.62 -0.06 -0.73 0.00 0.00 179.01 179.45 3iq2 s PHE 63 N -2.91 2.42 -1.26 0.92 0.08 -1.26 -4.83 117.98 111.14 3iq2 s PHE 63 Ca -0.05 -0.65 -0.04 0.00 0.12 0.00 0.00 56.93 56.30 3iq2 s PHE 63 Cb 0.07 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 3iq2 s PHE 63 CO 0.88 0.44 0.71 -3.47 -0.10 0.00 0.00 175.22 173.69 3iq2 n ASP 64 N -0.89 -2.27 -3.86 1.36 2.03 -1.26 -4.95 116.55 106.71 3iq2 n ASP 64 Ca -0.05 -0.86 -0.09 0.00 0.52 0.00 0.00 54.79 54.32 3iq2 n ASP 64 Cb 0.66 -3.98 -0.04 0.00 -0.72 0.00 0.00 41.12 37.04 3iq2 n ASP 64 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3iq2 s SER 65 N -4.13 -0.09 0.01 1.67 1.04 -1.26 -4.97 113.70 105.96 3iq2 s SER 65 Ca 0.12 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.73 3iq2 s SER 65 Cb -0.03 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3iq2 s SER 65 CO 0.82 -1.24 -0.11 -0.55 0.98 0.00 0.00 173.24 173.13 3iq2 s SER 66 N -3.00 4.28 -0.10 7.02 0.15 -1.26 -5.00 113.70 115.78 3iq2 s SER 66 Ca 0.19 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 3iq2 s SER 66 Cb -0.03 -0.90 0.05 0.00 -1.71 0.00 0.00 66.02 63.43 3iq2 s SER 66 CO 0.09 0.29 0.23 -0.70 1.20 0.00 0.00 173.24 174.35 3iq2 s GLU 67 N -1.31 0.18 -0.01 5.44 2.12 -1.26 -1.89 118.70 121.97 3iq2 s GLU 67 Ca 0.15 0.55 0.03 0.00 0.36 0.00 0.00 54.97 56.07 3iq2 s GLU 67 Cb -0.11 -0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.15 3iq2 s GLU 67 CO 0.06 -0.19 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.43 3iq2 s PHE 68 N 1.49 0.91 -0.15 5.30 0.08 -0.58 -4.99 117.98 120.04 3iq2 s PHE 68 Ca -0.07 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.82 3iq2 s PHE 68 Cb -0.11 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 3iq2 s PHE 68 CO -0.08 -0.02 -0.19 -2.00 -0.10 0.00 0.00 175.22 172.83 3iq2 s GLU 69 N -0.26 3.08 0.24 0.44 2.12 -1.26 -1.05 118.70 122.01 3iq2 s GLU 69 Ca 0.04 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.58 3iq2 s GLU 69 Cb -0.04 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.78 3iq2 s GLU 69 CO -0.00 -0.03 0.03 0.14 -0.54 0.00 0.00 175.26 174.86 3iq2 s VAL 70 N 0.87 0.84 -0.08 3.70 -7.23 -0.19 -0.17 120.40 118.14 3iq2 s VAL 70 Ca -0.05 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 3iq2 s VAL 70 Cb -0.15 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3iq2 s VAL 70 CO -0.02 -0.23 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.24 3iq2 s ARG 71 N -3.92 2.23 0.01 4.82 0.52 -1.26 -0.71 118.95 120.63 3iq2 s ARG 71 Ca 0.31 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 3iq2 s ARG 71 Cb 0.07 -1.77 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 3iq2 s ARG 71 CO 0.10 0.07 -0.05 1.03 0.02 0.00 0.00 175.30 176.46 3iq2 s ARG 72 N 0.59 0.42 0.44 3.54 1.81 -0.68 -4.92 118.95 120.16 3iq2 s ARG 72 Ca -0.15 -0.30 -0.02 0.00 -1.72 0.00 0.00 55.73 53.53 3iq2 s ARG 72 Cb -0.16 -0.36 -0.03 0.00 -0.45 0.00 0.00 34.95 33.95 3iq2 s ARG 72 CO 0.05 0.09 0.69 -0.98 -0.68 0.00 0.00 175.30 174.47 3iq2 s ARG 73 N -0.43 3.38 0.31 3.54 1.70 -1.26 -0.84 118.95 125.34 3iq2 s ARG 73 Ca -0.01 -0.13 0.04 0.00 -0.47 0.00 0.00 55.73 55.16 3iq2 s ARG 73 Cb -0.04 -2.50 0.65 0.00 -0.57 0.00 0.00 34.95 32.49 3iq2 s ARG 73 CO -0.00 -0.13 1.84 -0.92 -1.08 0.00 0.00 175.30 175.00 3iq2 h TYR 74 N 0.41 1.05 -0.41 5.89 3.20 -2.00 0.34 116.97 125.45 3iq2 h TYR 74 Ca -0.48 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.48 3iq2 h TYR 74 Cb 1.22 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3iq2 h TYR 74 CO 0.52 0.38 0.28 1.96 -1.64 0.00 0.00 178.16 179.66 3iq2 h GLN 75 N 0.88 0.29 -0.42 1.82 1.08 -1.95 -0.65 115.11 116.16 3iq2 h GLN 75 Ca 0.50 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.59 3iq2 h GLN 75 Cb 0.61 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 3iq2 h GLN 75 CO -0.27 0.19 -0.10 -0.44 -0.95 0.00 0.00 178.83 177.27 3iq2 h ASP 76 N 0.30 0.73 -0.24 1.46 3.32 -1.31 -1.11 116.42 119.57 3iq2 h ASP 76 Ca 0.18 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 3iq2 h ASP 76 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3iq2 h ASP 76 CO -0.04 0.86 -0.23 -0.26 -1.72 0.00 0.00 179.24 177.86 3iq2 h PHE 77 N 0.68 0.80 -0.69 4.55 0.04 -1.06 -2.24 116.94 119.02 3iq2 h PHE 77 Ca 0.12 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3iq2 h PHE 77 Cb 0.56 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3iq2 h PHE 77 CO 0.03 0.87 0.18 -0.07 -0.60 0.00 0.00 178.31 178.72 3iq2 h LEU 78 N 0.62 1.03 -0.36 1.54 3.38 -0.90 -0.33 115.31 120.30 3iq2 h LEU 78 Ca 0.09 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3iq2 h LEU 78 Cb 0.71 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3iq2 h LEU 78 CO 0.05 0.98 0.02 -0.25 0.09 0.00 0.00 178.44 179.33 3iq2 h TRP 79 N 1.04 0.01 -0.33 1.13 7.01 -1.02 -1.92 115.95 121.88 3iq2 h TRP 79 Ca 0.22 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 3iq2 h TRP 79 Cb 0.35 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 3iq2 h TRP 79 CO 0.03 -0.05 0.16 1.25 -2.79 0.00 0.00 178.44 177.04 3iq2 h LEU 80 N 0.12 0.42 -0.76 0.65 5.85 -1.07 -1.84 115.31 118.68 3iq2 h LEU 80 Ca 0.17 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3iq2 h LEU 80 Cb 0.23 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3iq2 h LEU 80 CO -0.28 0.42 0.45 0.50 -0.34 0.00 0.00 178.44 179.19 3iq2 h LYS 81 N 0.39 0.81 -0.63 1.25 3.64 -0.83 -0.83 116.57 120.38 3iq2 h LYS 81 Ca 0.11 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3iq2 h LYS 81 Cb 0.10 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3iq2 h LYS 81 CO -0.02 0.54 0.19 0.78 -2.27 0.00 0.00 179.45 178.68 3iq2 h GLY 82 N 0.83 1.06 1.00 5.01 0.00 -0.97 -0.60 103.07 109.41 3iq2 h GLY 82 Ca 0.33 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3iq2 h GLY 82 CO -0.17 0.59 0.41 0.50 0.00 0.00 0.00 176.54 177.87 3iq2 h LYS 83 N 0.91 0.94 -0.47 4.80 1.79 -0.72 -1.44 116.57 122.39 3iq2 h LYS 83 Ca 0.20 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.48 3iq2 h LYS 83 Cb 0.30 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3iq2 h LYS 83 CO -0.01 0.67 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.83 3iq2 h LEU 84 N 0.94 0.89 -0.37 2.94 3.38 -0.81 -1.84 115.31 120.44 3iq2 h LEU 84 Ca 0.25 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iq2 h LEU 84 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3iq2 h LEU 84 CO -0.05 1.03 0.22 -0.33 0.09 0.00 0.00 178.44 179.40 3iq2 h GLU 85 N 0.79 0.51 -0.77 1.13 5.08 -0.85 -1.23 114.58 119.24 3iq2 h GLU 85 Ca 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3iq2 h GLU 85 Cb 0.67 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3iq2 h GLU 85 CO 0.05 0.39 0.39 0.93 -1.00 0.00 0.00 179.01 179.77 3iq2 h GLU 86 N 0.48 1.09 0.00 2.33 5.08 -1.11 -2.68 114.58 119.77 3iq2 h GLU 86 Ca 0.13 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3iq2 h GLU 86 Cb 0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3iq2 h GLU 86 CO -0.02 0.82 -0.18 0.00 -1.00 0.00 0.00 179.01 178.63 3iq2 h ALA 87 N 1.34 0.90 -2.05 3.43 0.00 -1.11 -3.37 119.26 118.40 3iq2 h ALA 87 Ca 0.27 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.45 3iq2 h ALA 87 Cb 0.07 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 3iq2 h ALA 87 CO -0.04 0.22 -1.00 0.72 0.00 0.00 0.00 179.25 179.15 3iq2 n HIS 88 N -3.16 0.45 0.31 0.00 8.25 -0.48 -4.98 115.22 115.60 3iq2 n HIS 88 Ca 0.03 -3.68 0.14 0.00 -0.26 0.00 0.00 57.72 53.95 3iq2 n HIS 88 Cb 0.58 -0.38 0.64 0.00 1.12 0.00 0.00 29.99 31.94 3iq2 n HIS 88 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3iq2 h PRO 89 N 4.07 0.00 -0.05 -0.41 0.13 -1.67 -2.20 132.00 131.86 3iq2 h PRO 89 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3iq2 h PRO 89 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3iq2 h PRO 89 CO 0.54 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.56 3iq2 n THR 90 N -2.51 0.04 -3.65 1.56 -2.24 -1.26 -4.91 114.28 101.30 3iq2 n THR 90 Ca 0.00 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.05 3iq2 n THR 90 Cb 0.18 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 3iq2 n THR 90 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3iq2 s LEU 91 N -1.95 4.23 -0.38 3.22 1.43 -0.83 -5.07 118.68 119.33 3iq2 s LEU 91 Ca 0.32 0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 53.75 3iq2 s LEU 91 Cb 0.20 -3.26 0.01 0.00 0.03 0.00 0.00 46.19 43.17 3iq2 s LEU 91 CO 0.31 -0.02 0.45 -0.63 0.23 0.00 0.00 176.35 176.69 3iq2 s ILE 92 N -1.80 5.08 0.35 -0.59 1.01 -1.26 -5.00 121.20 118.98 3iq2 s ILE 92 Ca 0.40 -0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.76 3iq2 s ILE 92 Cb -0.11 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3iq2 s ILE 92 CO 0.27 -0.28 1.05 -0.63 0.00 0.00 0.00 174.94 175.35 3iq2 s ILE 93 N 2.21 3.70 0.33 2.92 -1.09 -1.26 -4.95 121.20 123.06 3iq2 s ILE 93 Ca 0.14 1.45 -0.28 0.00 -2.23 0.00 0.00 60.65 59.73 3iq2 s ILE 93 Cb -0.16 -3.82 -0.13 0.00 -1.58 0.00 0.00 42.46 36.77 3iq2 s ILE 93 CO 0.13 0.15 1.14 -2.65 -1.23 0.00 0.00 174.94 172.48 3iq2 n PRO 94 N 0.42 1.71 -2.17 2.79 -0.02 -1.26 -4.91 135.00 131.57 3iq2 n PRO 94 Ca 0.03 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 3iq2 n PRO 94 Cb 0.48 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3iq2 n PRO 94 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iq2 s PRO 95 N -1.76 3.69 -0.44 0.52 0.04 -1.26 -5.04 135.00 130.75 3iq2 s PRO 95 Ca 0.58 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.64 3iq2 s PRO 95 Cb -0.62 -2.10 0.21 0.00 0.04 0.00 0.00 34.50 32.03 3iq2 s PRO 95 CO 0.61 -0.49 0.47 1.28 0.04 0.00 0.00 177.00 178.91 3iq2 n LEU 96 N -2.01 0.46 -4.78 -3.56 4.77 -1.26 -4.91 117.00 105.71 3iq2 n LEU 96 Ca 0.07 -4.68 -0.36 0.00 -0.03 0.00 0.00 56.01 51.01 3iq2 n LEU 96 Cb 0.54 0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.99 3iq2 n LEU 96 CO 0.50 1.97 0.78 -2.16 -1.33 0.00 0.00 177.39 177.14 3iq2 s PRO 97 N -0.85 3.76 -0.05 3.23 0.04 -1.26 -5.04 135.00 134.82 3iq2 s PRO 97 Ca 0.34 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 3iq2 s PRO 97 Cb 0.10 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3iq2 s PRO 97 CO -0.14 -0.52 0.13 -2.00 0.04 0.00 0.00 177.00 174.52 3iq2 s GLU 98 N -2.87 0.17 -0.15 4.56 2.12 -1.26 -5.15 118.70 116.12 3iq2 s GLU 98 Ca 0.65 0.16 -0.06 0.00 0.36 0.00 0.00 54.97 56.08 3iq2 s GLU 98 Cb -0.24 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 3iq2 s GLU 98 CO 0.29 -0.02 0.07 0.21 -0.54 0.00 0.00 175.26 175.27 3iq2 s LYS 99 N 0.01 3.68 0.19 4.30 2.20 -1.26 -5.35 119.74 123.51 3iq2 s LYS 99 Ca -0.01 -0.31 -0.32 0.00 -0.36 0.00 0.00 55.97 54.98 3iq2 s LYS 99 Cb -0.01 -3.13 -0.12 0.00 -1.51 0.00 0.00 37.83 33.06 3iq2 s LYS 99 CO 0.00 0.47 1.76 1.97 -0.36 0.00 0.00 175.35 179.19 3iq2 n PHE 100 N 2.93 2.74 0.31 4.03 1.16 -1.26 -5.21 117.46 122.15 3iq2 n PHE 100 Ca -0.18 -0.02 0.03 0.00 -1.87 0.00 0.00 57.45 55.41 3iq2 n PHE 100 Cb 0.53 -2.70 -0.01 0.00 -1.61 0.00 0.00 39.48 35.69 3iq2 n PHE 100 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3iq2 n MET 105 N 4.44 3.25 -0.13 3.97 2.81 -1.26 -5.25 117.12 124.95 3iq2 n MET 105 Ca 0.17 -0.31 -0.23 0.00 -1.81 0.00 0.00 57.70 55.51 3iq2 n MET 105 Cb 0.36 -0.92 -0.11 0.00 -0.71 0.00 0.00 33.22 31.84 3iq2 n MET 105 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3iq2 n VAL 106 N -0.63 1.52 0.15 2.03 0.31 -1.26 -4.57 118.33 115.87 3iq2 n VAL 106 Ca 0.02 -0.49 0.10 0.00 -0.01 0.00 0.00 64.34 63.97 3iq2 n VAL 106 Cb 0.13 -1.62 0.61 0.00 -0.91 0.00 0.00 33.84 32.05 3iq2 n VAL 106 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3iq2 h GLU 107 N -0.41 0.10 0.00 5.55 4.57 -2.07 -1.43 114.58 120.89 3iq2 h GLU 107 Ca -0.62 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.55 3iq2 h GLU 107 Cb 1.78 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.35 3iq2 h GLU 107 CO -0.22 0.07 -0.03 0.07 -1.18 0.00 0.00 179.01 177.72 3iq2 h ARG 108 N 0.10 0.00 -0.33 1.92 0.11 -2.01 -1.65 114.38 112.52 3iq2 h ARG 108 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 3iq2 h ARG 108 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 3iq2 h ARG 108 CO -0.01 0.03 0.00 1.19 0.10 0.00 0.00 179.97 181.28 3iq2 n PHE 109 N -3.33 0.44 -2.40 4.08 3.72 -0.55 -4.79 117.46 114.64 3iq2 n PHE 109 Ca -0.02 -0.45 -0.38 0.00 -0.05 0.00 0.00 57.45 56.55 3iq2 n PHE 109 Cb 0.15 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3iq2 n PHE 109 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3iq2 s ASN 110 N -1.00 6.80 0.15 4.37 3.84 -0.62 -4.92 114.94 123.56 3iq2 s ASN 110 Ca 0.24 2.27 -0.14 0.00 0.21 0.00 0.00 52.86 55.43 3iq2 s ASN 110 Cb 0.13 -2.61 0.03 0.00 -0.55 0.00 0.00 41.25 38.24 3iq2 s ASN 110 CO 0.17 -0.47 1.70 -0.78 -2.79 0.00 0.00 177.10 174.92 3iq2 h ASP 111 N 2.97 0.67 -0.86 -4.21 3.58 -1.94 -0.89 116.42 115.73 3iq2 h ASP 111 Ca -0.48 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 56.77 3iq2 h ASP 111 Cb 1.22 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 42.06 3iq2 h ASP 111 CO 0.64 0.66 0.43 -0.78 -2.88 0.00 0.00 179.24 177.30 3iq2 h ASP 112 N 0.64 1.11 -0.19 2.28 3.58 -1.95 -0.26 116.42 121.62 3iq2 h ASP 112 Ca 0.16 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3iq2 h ASP 112 Cb 0.20 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3iq2 h ASP 112 CO -0.01 0.92 0.09 0.15 -2.88 0.00 0.00 179.24 177.51 3iq2 h PHE 113 N 1.22 0.27 -0.36 0.28 3.57 -1.69 0.25 116.94 120.47 3iq2 h PHE 113 Ca 0.30 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 3iq2 h PHE 113 Cb 0.09 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3iq2 h PHE 113 CO 0.01 0.28 -0.11 0.82 -2.23 0.00 0.00 178.31 177.08 3iq2 h ILE 114 N 0.18 1.28 -0.26 1.41 2.04 -0.99 -1.22 117.51 119.96 3iq2 h ILE 114 Ca 0.07 -1.20 -0.14 0.00 1.00 0.00 0.00 64.86 64.58 3iq2 h ILE 114 Cb 0.11 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3iq2 h ILE 114 CO -0.01 0.40 -0.43 -0.08 0.00 0.00 0.00 178.15 178.02 3iq2 h GLU 115 N 0.51 0.64 -0.23 2.37 4.57 -0.95 0.25 114.58 121.75 3iq2 h GLU 115 Ca 0.09 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3iq2 h GLU 115 Cb 0.63 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3iq2 h GLU 115 CO 0.04 0.95 0.15 1.15 -1.18 0.00 0.00 179.01 180.12 3iq2 h THR 116 N 0.52 1.05 -0.34 0.32 2.02 -0.86 -1.85 112.91 113.77 3iq2 h THR 116 Ca 0.04 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3iq2 h THR 116 Cb 0.96 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3iq2 h THR 116 CO 0.09 0.06 0.14 -0.09 0.37 0.00 0.00 175.52 176.08 3iq2 h ARG 117 N 0.30 0.50 -0.48 6.66 2.43 -0.98 -1.73 114.38 121.08 3iq2 h ARG 117 Ca 0.08 -0.09 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3iq2 h ARG 117 Cb -0.03 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.37 3iq2 h ARG 117 CO -0.02 0.49 0.05 -0.09 -1.51 0.00 0.00 179.97 178.90 3iq2 h ARG 118 N 0.40 0.17 -0.76 0.20 2.43 -0.24 0.21 114.38 116.79 3iq2 h ARG 118 Ca 0.11 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3iq2 h ARG 118 Cb 0.18 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3iq2 h ARG 118 CO -0.01 0.11 0.38 0.87 -1.51 0.00 0.00 179.97 179.81 3iq2 h LYS 119 N 0.18 1.09 -0.57 0.20 1.57 -1.18 -1.36 116.57 116.51 3iq2 h LYS 119 Ca 0.24 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3iq2 h LYS 119 Cb 0.34 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3iq2 h LYS 119 CO -0.35 0.84 -0.04 0.00 -0.57 0.00 0.00 179.45 179.33 3iq2 h ALA 120 N 1.19 0.77 -0.64 3.86 0.00 -0.45 -1.02 119.26 122.97 3iq2 h ALA 120 Ca 0.26 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3iq2 h ALA 120 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3iq2 h ALA 120 CO -0.04 0.63 0.09 -0.07 0.00 0.00 0.00 179.25 179.87 3iq2 h LEU 121 N 0.91 1.01 -0.19 0.00 3.38 -0.39 -0.44 115.31 119.58 3iq2 h LEU 121 Ca 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3iq2 h LEU 121 Cb 0.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3iq2 h LEU 121 CO 0.04 1.01 0.12 -0.74 0.09 0.00 0.00 178.44 178.95 3iq2 h HIS 122 N 0.98 0.26 -0.56 1.13 2.76 -0.99 -0.87 115.15 117.86 3iq2 h HIS 122 Ca 0.19 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3iq2 h HIS 122 Cb 0.44 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 3iq2 h HIS 122 CO 0.03 0.21 0.35 -0.22 -1.30 0.00 0.00 177.93 177.00 3iq2 h LYS 123 N 0.23 0.69 0.01 5.26 3.64 -0.98 -0.97 116.57 124.45 3iq2 h LYS 123 Ca 0.07 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3iq2 h LYS 123 Cb 0.03 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3iq2 h LYS 123 CO -0.01 0.46 -0.10 0.35 -2.27 0.00 0.00 179.45 177.87 3iq2 h PHE 124 N 0.71 -0.26 -0.41 1.91 3.57 -0.87 -0.80 116.94 120.79 3iq2 h PHE 124 Ca 0.22 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 3iq2 h PHE 124 Cb -0.03 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3iq2 h PHE 124 CO -0.05 -0.16 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.68 3iq2 h LEU 125 N -0.18 0.73 -0.71 0.59 3.38 -0.98 -1.94 115.31 116.20 3iq2 h LEU 125 Ca 0.04 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3iq2 h LEU 125 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3iq2 h LEU 125 CO -0.10 0.88 0.22 0.78 0.09 0.00 0.00 178.44 180.31 3iq2 h ASN 126 N 0.67 1.03 -0.63 -0.43 2.35 -0.98 0.12 115.58 117.71 3iq2 h ASN 126 Ca 0.11 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 3iq2 h ASN 126 Cb 0.60 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3iq2 h ASN 126 CO 0.04 0.97 0.27 0.03 -1.65 0.00 0.00 177.43 177.09 3iq2 h ARG 127 N 1.04 0.94 -0.45 0.81 3.08 -0.78 -0.74 114.38 118.28 3iq2 h ARG 127 Ca 0.23 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3iq2 h ARG 127 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3iq2 h ARG 127 CO -0.01 0.78 -0.10 0.82 -1.07 0.00 0.00 179.97 180.40 3iq2 h ILE 128 N 0.88 1.27 -0.27 2.04 2.04 -1.11 -2.74 117.51 119.62 3iq2 h ILE 128 Ca 0.21 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 3iq2 h ILE 128 Cb 0.18 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3iq2 h ILE 128 CO -0.02 0.41 -0.08 0.00 0.00 0.00 0.00 178.15 178.46 3iq2 h ALA 129 N 0.87 1.35 0.00 1.87 0.00 -0.59 -2.31 119.26 120.46 3iq2 h ALA 129 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iq2 h ALA 129 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iq2 h ALA 129 CO 0.04 0.44 -0.31 -0.25 0.00 0.00 0.00 179.25 179.17 3iq2 n ASP 130 N -4.25 0.34 -4.69 0.00 8.00 -0.32 -4.67 116.55 110.96 3iq2 n ASP 130 Ca 0.01 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 3iq2 n ASP 130 Cb 0.28 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 3iq2 n ASP 130 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3iq2 s HIS 131 N -3.01 3.48 0.46 1.24 2.46 -0.88 -4.97 115.29 114.07 3iq2 s HIS 131 Ca 0.12 1.21 0.40 0.00 0.47 0.00 0.00 55.06 57.26 3iq2 s HIS 131 Cb 0.18 -2.90 2.12 0.00 -0.13 0.00 0.00 32.58 31.85 3iq2 s HIS 131 CO 0.64 -0.10 2.22 -1.35 -2.47 0.00 0.00 174.74 173.68 3iq2 h PRO 132 N 7.12 0.00 0.00 2.88 0.11 -1.88 -1.43 132.00 138.80 3iq2 h PRO 132 Ca -0.34 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.51 3iq2 h PRO 132 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3iq2 h PRO 132 CO 0.79 0.00 -1.96 0.25 -0.21 0.00 0.00 178.00 176.87 3iq2 n THR 133 N -2.94 0.97 0.09 -1.15 -2.24 -1.26 -4.66 114.28 103.08 3iq2 n THR 133 Ca -0.02 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3iq2 n THR 133 Cb 0.09 -1.06 0.32 0.00 -2.10 0.00 0.00 70.33 67.58 3iq2 n THR 133 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3iq2 h LEU 134 N 0.00 0.27 -2.16 3.22 3.38 -1.78 -3.01 115.31 115.24 3iq2 h LEU 134 Ca -0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3iq2 h LEU 134 Cb 1.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 3iq2 h LEU 134 CO -0.05 0.50 -0.07 0.00 0.09 0.00 0.00 178.44 178.91 3iq2 h THR 135 N 0.26 0.59 -0.38 0.22 1.03 -1.18 -1.84 112.91 111.60 3iq2 h THR 135 Ca 0.04 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 3iq2 h THR 135 Cb 0.52 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 3iq2 h THR 135 CO 0.04 0.07 0.00 0.49 -0.01 0.00 0.00 175.52 176.10 3iq2 n PHE 136 N -3.79 0.50 -2.03 0.00 3.72 -1.14 -4.83 117.46 109.90 3iq2 n PHE 136 Ca -0.02 -0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 56.71 3iq2 n PHE 136 Cb 0.16 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 3iq2 n PHE 136 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3iq2 s ASN 137 N -1.37 6.67 0.33 4.37 3.84 -0.69 -4.91 114.94 123.18 3iq2 s ASN 137 Ca 0.37 2.67 0.04 0.00 0.21 0.00 0.00 52.86 56.14 3iq2 s ASN 137 Cb 0.21 -2.63 0.60 0.00 -0.55 0.00 0.00 41.25 38.87 3iq2 s ASN 137 CO 0.29 -0.68 1.89 -0.08 -2.79 0.00 0.00 177.10 175.73 3iq2 h GLU 138 N 4.78 0.58 0.00 0.43 4.57 -1.93 -2.32 114.58 120.69 3iq2 h GLU 138 Ca -0.46 -0.11 -0.15 0.00 -1.18 0.00 0.00 59.36 57.45 3iq2 h GLU 138 Cb 1.22 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3iq2 h GLU 138 CO 0.76 0.56 -0.72 -0.44 -1.18 0.00 0.00 179.01 177.99 3iq2 h ASP 139 N 0.56 0.00 -0.20 1.04 3.32 -1.97 -1.51 116.42 117.66 3iq2 h ASP 139 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3iq2 h ASP 139 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3iq2 h ASP 139 CO 0.00 0.72 0.11 0.15 -1.72 0.00 0.00 179.24 178.51 3iq2 h PHE 140 N 0.00 0.27 -0.32 4.55 3.57 -1.81 0.48 116.94 123.67 3iq2 h PHE 140 Ca -0.01 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3iq2 h PHE 140 Cb 1.31 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 3iq2 h PHE 140 CO 0.00 0.24 0.05 -0.22 -2.23 0.00 0.00 178.31 176.14 3iq2 h LYS 141 N 0.22 0.15 -0.71 1.11 3.64 -1.18 -1.58 116.57 118.23 3iq2 h LYS 141 Ca 0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3iq2 h LYS 141 Cb 0.05 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3iq2 h LYS 141 CO -0.01 0.10 0.43 0.82 -2.27 0.00 0.00 179.45 178.52 3iq2 h ILE 142 N 0.16 1.20 -0.89 2.00 2.04 -1.16 -2.49 117.51 118.37 3iq2 h ILE 142 Ca 0.15 -0.45 0.08 0.00 1.00 0.00 0.00 64.86 65.64 3iq2 h ILE 142 Cb 0.18 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 3iq2 h ILE 142 CO -0.21 0.21 0.54 0.15 0.00 0.00 0.00 178.15 178.84 3iq2 h PHE 143 N 0.97 1.00 0.00 1.37 3.57 -0.46 -0.02 116.94 123.36 3iq2 h PHE 143 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3iq2 h PHE 143 Cb -0.03 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.39 3iq2 h PHE 143 CO -0.01 0.47 -0.10 1.28 -2.23 0.00 0.00 178.31 177.72 3iq2 n LEU 144 N -4.64 0.13 0.00 0.59 4.77 -0.63 -4.45 117.00 112.77 3iq2 n LEU 144 Ca 0.14 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3iq2 n LEU 144 Cb 0.23 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3iq2 n LEU 144 CO 0.29 0.02 -0.29 0.35 -1.33 0.00 0.00 177.39 176.43 3iq2 n THR 145 N -1.54 0.00 -2.14 -5.08 -2.24 -0.81 -4.62 114.28 97.86 3iq2 n THR 145 Ca 0.07 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 3iq2 n THR 145 Cb 0.34 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3iq2 n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iq2 s ALA 146 N -1.29 2.98 -1.33 6.98 0.00 -0.09 -3.45 121.76 125.56 3iq2 s ALA 146 Ca 0.00 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 3iq2 s ALA 146 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3iq2 s ALA 146 CO 0.00 -0.82 0.93 1.04 0.00 0.00 0.00 175.76 176.91 3iq2 n GLN 147 N -0.50 -6.10 -2.12 0.00 6.02 -1.26 -4.83 117.38 108.59 3iq2 n GLN 147 Ca 0.07 0.72 -0.39 0.00 -0.01 0.00 0.00 57.00 57.40 3iq2 n GLN 147 Cb 0.47 -5.57 -0.00 0.00 1.02 0.00 0.00 30.24 26.16 3iq2 n GLN 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iq2 s ALA 148 N -3.45 3.14 0.21 -1.58 0.00 -1.22 -4.68 121.76 114.18 3iq2 s ALA 148 Ca 0.25 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 3iq2 s ALA 148 Cb -0.12 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3iq2 s ALA 148 CO 0.78 -0.78 0.39 -1.58 0.00 0.00 0.00 175.76 174.57 3iq2 s TRP 149 N -1.35 3.48 -2.00 0.00 0.52 0.75 -5.01 118.94 115.33 3iq2 s TRP 149 Ca 0.60 0.30 0.11 0.00 0.02 0.00 0.00 56.10 57.12 3iq2 s TRP 149 Cb -0.35 -1.82 0.65 0.00 -1.15 0.00 0.00 33.47 30.80 3iq2 s TRP 149 CO 0.44 0.38 1.09 0.39 0.02 0.00 0.00 176.95 179.27