#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqb s LYS 2 N 0.00 4.07 0.38 2.12 -0.14 -1.26 -0.11 119.74 124.81 3iqb s LYS 2 Ca 0.00 2.28 0.14 0.00 -1.36 0.00 0.00 55.97 57.03 3iqb s LYS 2 Cb 0.00 -2.88 0.96 0.00 -1.68 0.00 0.00 37.83 34.24 3iqb s LYS 2 CO 0.00 -0.45 1.84 0.78 -0.76 0.00 0.00 175.35 176.76 3iqb h GLY 3 N 2.90 1.12 -0.55 -3.33 0.00 -0.64 -2.56 103.07 100.00 3iqb h GLY 3 Ca -0.50 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 46.64 3iqb h GLY 3 CO 0.63 0.00 -0.52 -0.91 0.00 0.00 0.00 176.54 175.75 3iqb h THR 4 N 0.54 0.00 -0.21 4.70 1.35 -1.04 0.19 112.91 118.44 3iqb h THR 4 Ca 0.49 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.21 3iqb h THR 4 Cb 1.03 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3iqb h THR 4 CO -0.22 0.00 -0.41 -0.29 -0.25 0.00 0.00 175.52 174.35 3iqb h ILE 5 N -0.24 1.32 -0.85 6.82 2.10 -1.77 -3.05 117.51 121.84 3iqb h ILE 5 Ca 0.09 -1.63 -0.03 0.00 1.08 0.00 0.00 64.86 64.38 3iqb h ILE 5 Cb 0.48 1.84 -0.04 0.00 -1.09 0.00 0.00 36.82 38.02 3iqb h ILE 5 CO -0.65 0.51 0.43 0.58 -1.08 0.00 0.00 178.15 177.94 3iqb h VAL 6 N 0.33 1.26 -0.92 2.19 2.07 -1.21 -0.84 116.25 119.13 3iqb h VAL 6 Ca 0.01 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3iqb h VAL 6 Cb 1.01 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3iqb h VAL 6 CO 0.09 0.30 0.59 1.23 0.02 0.00 0.00 177.57 179.80 3iqb h GLY 7 N 1.22 1.40 1.71 2.17 0.00 -0.64 -0.88 103.07 108.05 3iqb h GLY 7 Ca 0.30 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3iqb h GLY 7 CO -0.04 0.30 -0.36 -0.91 0.00 0.00 0.00 176.54 175.53 3iqb h THR 8 N 1.07 1.29 -0.35 4.70 1.35 -1.21 -2.56 112.91 117.19 3iqb h THR 8 Ca 0.40 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.80 3iqb h THR 8 Cb 0.17 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3iqb h THR 8 CO -0.17 0.43 0.08 -0.50 -0.25 0.00 0.00 175.52 175.11 3iqb h TRP 9 N 0.28 0.58 -0.49 4.73 6.55 -0.02 -1.30 115.95 126.30 3iqb h TRP 9 Ca 0.03 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.80 3iqb h TRP 9 Cb 0.76 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.88 3iqb h TRP 9 CO 0.02 0.59 0.31 0.82 -1.05 0.00 0.00 178.44 179.14 3iqb h ILE 10 N 0.40 1.13 -0.13 1.49 1.08 -1.10 0.41 117.51 120.80 3iqb h ILE 10 Ca 0.11 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3iqb h ILE 10 Cb 0.31 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3iqb h ILE 10 CO 0.00 0.13 0.05 0.50 -0.69 0.00 0.00 178.15 178.14 3iqb h LYS 11 N 0.66 0.19 -0.87 2.37 3.64 -1.40 -2.41 116.57 118.75 3iqb h LYS 11 Ca 0.18 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3iqb h LYS 11 Cb -0.05 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 3iqb h LYS 11 CO -0.04 0.30 0.57 1.15 -2.27 0.00 0.00 179.45 179.17 3iqb h THR 12 N 0.04 1.13 -0.72 1.00 2.02 -1.04 0.14 112.91 115.49 3iqb h THR 12 Ca 0.04 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3iqb h THR 12 Cb 0.18 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 3iqb h THR 12 CO -0.00 0.19 0.39 -0.07 0.37 0.00 0.00 175.52 176.41 3iqb h LEU 13 N 1.07 0.88 -0.23 2.58 3.38 -0.79 -2.08 115.31 120.12 3iqb h LEU 13 Ca 0.35 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3iqb h LEU 13 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3iqb h LEU 13 CO -0.11 0.71 -0.12 0.03 0.09 0.00 0.00 178.44 179.03 3iqb h ARG 14 N 1.00 0.48 -0.05 1.13 3.08 -0.52 -0.72 114.38 118.78 3iqb h ARG 14 Ca 0.25 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3iqb h ARG 14 Cb 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3iqb h ARG 14 CO -0.04 0.77 0.04 -0.44 -1.07 0.00 0.00 179.97 179.22 3iqb h ASP 15 N 0.19 0.01 0.17 7.04 3.32 -0.89 0.96 116.42 127.22 3iqb h ASP 15 Ca 0.05 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.74 3iqb h ASP 15 Cb 0.63 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3iqb h ASP 15 CO 0.04 0.00 -2.05 0.18 -1.72 0.00 0.00 179.24 175.69 3iqb n LEU 16 N -4.53 2.16 0.00 1.55 4.77 -0.80 -4.65 117.00 115.50 3iqb n LEU 16 Ca -0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3iqb n LEU 16 Cb 0.13 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 3iqb n LEU 16 CO 0.34 0.75 0.21 -1.22 -1.33 0.00 0.00 177.39 176.15 3iqb n TYR 17 N -3.30 0.00 0.00 -1.77 4.02 -0.29 -5.11 117.16 110.71 3iqb n TYR 17 Ca -0.31 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 3iqb n TYR 17 Cb 1.05 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.36 3iqb n TYR 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iqb n GLY 18 N -0.07 -1.36 0.21 2.72 0.00 0.33 -4.39 105.19 102.62 3iqb n GLY 18 Ca 0.00 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.52 3iqb n GLY 18 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iqb h ASN 19 N 0.00 0.00 -0.02 1.61 2.35 -1.92 -3.15 115.58 114.45 3iqb h ASN 19 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3iqb h ASN 19 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3iqb h ASN 19 CO 0.00 0.29 -0.23 0.44 -1.65 0.00 0.00 177.43 176.28 3iqb h ASP 20 N 0.00 0.24 -0.55 5.81 3.45 -1.97 -0.40 116.42 123.00 3iqb h ASP 20 Ca -0.00 -0.72 0.09 0.00 0.43 0.00 0.00 57.03 56.83 3iqb h ASP 20 Cb 0.73 -0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 39.35 3iqb h ASP 20 CO 0.04 0.92 0.17 0.58 -1.57 0.00 0.00 179.24 179.38 3iqb h VAL 21 N -0.42 0.75 -0.00 -1.35 2.07 -1.76 -1.86 116.25 113.68 3iqb h VAL 21 Ca -0.02 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3iqb h VAL 21 Cb 0.94 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3iqb h VAL 21 CO 0.05 0.06 -0.00 0.58 0.02 0.00 0.00 177.57 178.27 3iqb h VAL 22 N 0.33 1.43 -0.70 2.57 2.07 -1.57 -1.98 116.25 118.39 3iqb h VAL 22 Ca 0.28 -1.26 0.12 0.00 0.82 0.00 0.00 66.70 66.66 3iqb h VAL 22 Cb 0.35 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 32.31 3iqb h VAL 22 CO -0.31 0.33 0.27 0.44 0.02 0.00 0.00 177.57 178.32 3iqb h ASP 23 N -0.52 0.26 -0.43 0.57 3.32 -0.97 0.80 116.42 119.45 3iqb h ASP 23 Ca 0.00 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3iqb h ASP 23 Cb 0.54 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3iqb h ASP 23 CO 0.00 0.12 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.26 3iqb h GLU 24 N 0.43 0.79 -0.59 3.56 5.08 -1.35 -1.26 114.58 121.24 3iqb h GLU 24 Ca 0.38 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3iqb h GLU 24 Cb 0.53 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3iqb h GLU 24 CO -0.37 0.89 0.26 0.77 -1.00 0.00 0.00 179.01 179.56 3iqb h SER 25 N 0.62 0.79 -0.44 1.42 0.02 -0.52 -0.36 113.55 115.08 3iqb h SER 25 Ca 0.12 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 3iqb h SER 25 Cb 0.56 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3iqb h SER 25 CO 0.03 0.72 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.36 3iqb h LEU 26 N 0.81 0.78 -1.34 5.07 3.38 -0.84 -2.85 115.31 120.32 3iqb h LEU 26 Ca 0.20 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3iqb h LEU 26 Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3iqb h LEU 26 CO -0.02 0.91 0.35 0.50 0.09 0.00 0.00 178.44 180.26 3iqb h LYS 27 N 0.63 0.80 0.00 1.13 3.64 -0.90 -1.94 116.57 119.93 3iqb h LYS 27 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3iqb h LYS 27 Cb 0.51 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3iqb h LYS 27 CO 0.03 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.43 3iqb h SER 28 N 0.81 0.00 -0.17 4.20 4.64 -0.82 -1.92 113.55 120.29 3iqb h SER 28 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3iqb h SER 28 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3iqb h SER 28 CO -0.04 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.25 3iqb n VAL 29 N -2.58 0.35 -0.33 0.95 0.24 -0.80 -4.98 118.33 111.18 3iqb n VAL 29 Ca -0.00 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3iqb n VAL 29 Cb 0.17 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 3iqb n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iqb n GLY 30 N 0.82 0.80 3.93 7.63 0.00 -0.72 -5.08 105.19 112.56 3iqb n GLY 30 Ca 0.11 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3iqb n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iqb s TRP 31 N -2.00 3.51 0.27 1.61 0.52 -0.80 -5.02 118.94 117.03 3iqb s TRP 31 Ca 0.00 0.46 -0.29 0.00 0.02 0.00 0.00 56.10 56.29 3iqb s TRP 31 Cb 0.00 -1.99 -0.09 0.00 -1.15 0.00 0.00 33.47 30.24 3iqb s TRP 31 CO 0.00 0.07 1.22 -1.21 0.02 0.00 0.00 176.95 177.06 3iqb s GLU 32 N -4.25 4.47 0.59 4.98 0.41 -1.26 -4.06 118.70 119.58 3iqb s GLU 32 Ca 0.42 2.01 0.32 0.00 -0.41 0.00 0.00 54.97 57.30 3iqb s GLU 32 Cb -0.10 -3.15 1.86 0.00 -1.78 0.00 0.00 34.13 30.96 3iqb s GLU 32 CO 0.36 -0.05 2.25 -1.35 -0.49 0.00 0.00 175.26 175.98 3iqb h PRO 33 N 4.13 0.00 -0.39 0.39 0.11 -1.90 -1.63 132.00 132.70 3iqb h PRO 33 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3iqb h PRO 33 Cb 1.22 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3iqb h PRO 33 CO 0.69 0.02 0.04 -0.40 -0.21 0.00 0.00 178.00 178.14 3iqb n ASP 34 N -3.71 3.51 -4.67 -2.05 3.85 -1.26 -4.79 116.55 107.43 3iqb n ASP 34 Ca -0.03 -3.34 -0.48 0.00 -0.71 0.00 0.00 54.79 50.23 3iqb n ASP 34 Cb 0.10 -0.62 -0.05 0.00 -1.35 0.00 0.00 41.12 39.21 3iqb n ASP 34 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3iqb n ARG 35 N -0.71 2.09 -2.93 0.11 0.63 -0.62 -4.94 116.66 110.29 3iqb n ARG 35 Ca 0.30 0.76 -0.43 0.00 -0.92 0.00 0.00 57.85 57.56 3iqb n ARG 35 Cb 1.05 -2.55 -0.05 0.00 0.45 0.00 0.00 32.46 31.36 3iqb n ARG 35 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3iqb s VAL 36 N 2.27 4.62 -0.17 5.15 1.01 -1.26 -5.03 120.40 127.00 3iqb s VAL 36 Ca 0.85 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 63.17 3iqb s VAL 36 Cb -0.71 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 3iqb s VAL 36 CO 0.45 -0.71 0.57 -0.63 0.00 0.00 0.00 175.10 174.77 3iqb s ILE 37 N 3.36 5.08 0.29 2.22 1.01 -1.26 -5.06 121.20 126.84 3iqb s ILE 37 Ca 0.31 1.09 -0.08 0.00 0.00 0.00 0.00 60.65 61.97 3iqb s ILE 37 Cb -0.12 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 3iqb s ILE 37 CO 0.23 0.19 0.60 0.42 0.00 0.00 0.00 174.94 176.37 3iqb s THR 38 N 1.46 4.94 0.38 2.92 -4.23 -1.26 -4.86 115.64 114.98 3iqb s THR 38 Ca 0.28 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.20 3iqb s THR 38 Cb -0.16 -3.69 0.29 0.00 1.34 0.00 0.00 72.50 70.29 3iqb s THR 38 CO 0.11 -0.26 1.99 -0.65 -0.54 0.00 0.00 174.62 175.27 3iqb h PRO 39 N 1.94 0.65 -0.12 3.99 0.11 -1.94 -3.14 132.00 133.48 3iqb h PRO 39 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3iqb h PRO 39 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3iqb h PRO 39 CO 0.67 0.43 0.00 1.28 -0.21 0.00 0.00 178.00 180.16 3iqb n LEU 40 N -4.47 2.38 -4.79 2.35 4.77 -1.26 -0.71 117.00 115.26 3iqb n LEU 40 Ca 0.08 -1.25 -0.30 0.00 -0.03 0.00 0.00 56.01 54.51 3iqb n LEU 40 Cb 0.20 -0.07 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 3iqb n LEU 40 CO 0.34 0.49 0.71 -1.83 -1.33 0.00 0.00 177.39 175.77 3iqb s GLU 41 N -1.10 2.06 -0.16 3.23 -1.05 -1.19 -4.77 118.70 115.73 3iqb s GLU 41 Ca 0.19 0.71 -0.06 0.00 -0.15 0.00 0.00 54.97 55.66 3iqb s GLU 41 Cb 0.12 -1.91 -0.04 0.00 -0.44 0.00 0.00 34.13 31.86 3iqb s GLU 41 CO 0.17 -1.65 0.04 -0.51 0.95 0.00 0.00 175.26 174.26 3iqb s ASP 42 N -3.82 5.47 -0.13 0.83 -0.00 -1.26 -0.38 116.67 117.37 3iqb s ASP 42 Ca 0.61 0.08 -0.01 0.00 -0.00 0.00 0.00 52.55 53.23 3iqb s ASP 42 Cb -0.15 -1.86 -0.02 0.00 -0.00 0.00 0.00 42.92 40.89 3iqb s ASP 42 CO 0.55 0.22 -0.10 -0.63 -0.00 0.00 0.00 175.17 175.21 3iqb s ILE 43 N 0.08 3.35 0.16 0.77 -1.09 0.84 -4.92 121.20 120.39 3iqb s ILE 43 Ca 0.04 -0.56 -0.32 0.00 -2.23 0.00 0.00 60.65 57.58 3iqb s ILE 43 Cb -0.12 -2.43 -0.12 0.00 -1.58 0.00 0.00 42.46 38.21 3iqb s ILE 43 CO 0.01 0.52 1.76 -0.67 -1.23 0.00 0.00 174.94 175.33 3iqb n ASP 44 N 3.46 3.93 -0.35 3.58 2.03 -1.26 -0.76 116.55 127.18 3iqb n ASP 44 Ca -0.18 1.03 0.05 0.00 0.52 0.00 0.00 54.79 56.21 3iqb n ASP 44 Cb 0.53 -1.55 0.22 0.00 -0.72 0.00 0.00 41.12 39.60 3iqb n ASP 44 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3iqb h ASP 45 N 7.47 0.96 0.06 1.67 5.19 -1.98 -2.44 116.42 127.35 3iqb h ASP 45 Ca -0.45 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 55.89 3iqb h ASP 45 Cb 1.22 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 3iqb h ASP 45 CO 0.95 0.56 -0.32 -0.78 -3.12 0.00 0.00 179.24 176.53 3iqb h ASP 46 N 1.06 0.39 -0.68 6.45 1.82 -1.99 -1.80 116.42 121.66 3iqb h ASP 46 Ca 0.46 -0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 56.90 3iqb h ASP 46 Cb 0.34 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 3iqb h ASP 46 CO -0.21 0.70 0.21 -0.33 -1.61 0.00 0.00 179.24 178.00 3iqb h GLU 47 N 0.33 1.07 -0.84 0.28 5.08 -1.83 -0.66 114.58 118.01 3iqb h GLU 47 Ca 0.04 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3iqb h GLU 47 Cb 0.74 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 3iqb h GLU 47 CO 0.06 0.93 0.56 0.28 -1.00 0.00 0.00 179.01 179.83 3iqb h VAL 48 N 1.00 1.22 -0.50 3.13 2.07 -1.32 -0.72 116.25 121.13 3iqb h VAL 48 Ca 0.22 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3iqb h VAL 48 Cb 0.31 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3iqb h VAL 48 CO -0.01 0.21 0.29 -0.09 0.02 0.00 0.00 177.57 177.99 3iqb h ARG 49 N 1.14 0.68 -0.29 1.57 2.43 -0.73 -1.20 114.38 117.98 3iqb h ARG 49 Ca 0.31 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 3iqb h ARG 49 Cb -0.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 3iqb h ARG 49 CO -0.07 0.51 -0.31 0.00 -1.51 0.00 0.00 179.97 178.59 3iqb h ARG 50 N 0.66 0.61 -0.14 0.20 3.08 -0.94 -0.79 114.38 117.06 3iqb h ARG 50 Ca 0.18 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3iqb h ARG 50 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3iqb h ARG 50 CO -0.03 0.84 0.01 0.82 -1.07 0.00 0.00 179.97 180.54 3iqb h ILE 51 N 0.52 0.92 -0.09 2.04 2.04 -0.80 -1.68 117.51 120.45 3iqb h ILE 51 Ca 0.06 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3iqb h ILE 51 Cb 0.79 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3iqb h ILE 51 CO 0.06 0.01 -0.30 -0.26 0.00 0.00 0.00 178.15 177.66 3iqb h PHE 52 N 0.06 0.19 -0.34 1.37 -1.00 -0.95 -1.60 116.94 114.67 3iqb h PHE 52 Ca 0.06 -0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 3iqb h PHE 52 Cb 0.07 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 3iqb h PHE 52 CO -0.14 0.46 -0.09 0.00 -1.61 0.00 0.00 178.31 176.93 3iqb h ALA 53 N 1.54 1.20 -0.31 2.45 0.00 -0.89 -1.51 119.26 121.74 3iqb h ALA 53 Ca 0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3iqb h ALA 53 Cb 0.62 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3iqb h ALA 53 CO 0.05 0.52 -0.35 0.87 0.00 0.00 0.00 179.25 180.33 3iqb h LYS 54 N 0.54 0.78 -1.00 0.00 1.79 -0.48 -0.64 116.57 117.56 3iqb h LYS 54 Ca 0.10 -0.43 0.05 0.00 -2.18 0.00 0.00 60.65 58.20 3iqb h LYS 54 Cb 0.49 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 3iqb h LYS 54 CO 0.03 1.06 0.65 0.28 -1.08 0.00 0.00 179.45 180.38 3iqb h VAL 55 N 0.54 1.13 -0.06 0.50 2.07 -1.16 0.56 116.25 119.83 3iqb h VAL 55 Ca 0.04 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3iqb h VAL 55 Cb 0.93 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3iqb h VAL 55 CO 0.08 0.22 0.02 -1.28 0.02 0.00 0.00 177.57 176.64 3iqb h SER 56 N 1.21 0.09 -0.38 0.57 0.87 -1.02 -1.62 113.55 113.26 3iqb h SER 56 Ca 0.42 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 3iqb h SER 56 Cb 0.09 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 3iqb h SER 56 CO -0.15 0.23 0.13 -0.08 -0.53 0.00 0.00 176.83 176.43 3iqb h GLU 57 N -0.07 0.28 -0.00 2.24 4.81 -0.67 -0.57 114.58 120.61 3iqb h GLU 57 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3iqb h GLU 57 Cb 0.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3iqb h GLU 57 CO -0.00 0.19 -0.06 1.63 -0.73 0.00 0.00 179.01 180.04 3iqb n LYS 58 N -5.02 0.75 0.00 1.92 5.02 0.15 -3.40 118.16 117.59 3iqb n LYS 58 Ca 0.02 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3iqb n LYS 58 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3iqb n LYS 58 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3iqb n THR 59 N -0.97 0.00 -1.07 -0.18 -2.24 -0.62 -4.99 114.28 104.21 3iqb n THR 59 Ca 0.17 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 3iqb n THR 59 Cb 0.24 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 3iqb n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqb n GLY 60 N 0.65 0.37 3.83 3.38 0.00 -0.24 -4.98 105.19 108.19 3iqb n GLY 60 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3iqb n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iqb s LYS 61 N -1.77 4.03 0.36 1.61 1.02 -1.12 -5.03 119.74 118.83 3iqb s LYS 61 Ca 0.00 0.54 -0.28 0.00 0.02 0.00 0.00 55.97 56.25 3iqb s LYS 61 Cb 0.00 -3.23 -0.12 0.00 -0.52 0.00 0.00 37.83 33.96 3iqb s LYS 61 CO 0.00 0.67 1.38 -1.71 -0.92 0.00 0.00 175.35 174.77 3iqb n ASN 62 N 1.79 3.22 -0.20 2.83 2.85 -1.26 -4.51 115.26 119.98 3iqb n ASN 62 Ca -0.12 1.22 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 3iqb n ASN 62 Cb 0.52 -1.55 0.24 0.00 1.24 0.00 0.00 39.78 40.23 3iqb n ASN 62 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 3iqb h VAL 63 N 2.71 1.20 -0.00 3.44 3.04 -1.93 -1.23 116.25 123.47 3iqb h VAL 63 Ca -0.48 -0.40 -0.04 0.00 -1.01 0.00 0.00 66.70 64.77 3iqb h VAL 63 Cb 1.27 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 3iqb h VAL 63 CO 0.63 0.20 -0.17 0.78 -1.01 0.00 0.00 177.57 177.99 3iqb h ASN 64 N 0.98 0.00 0.61 3.17 2.35 -1.99 0.31 115.58 121.02 3iqb h ASN 64 Ca 0.26 -0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.76 3iqb h ASN 64 Cb -0.07 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3iqb h ASN 64 CO -0.05 0.18 -1.11 -0.08 -1.65 0.00 0.00 177.43 174.72 3iqb h GLU 65 N 0.00 0.26 -0.29 0.81 4.81 -1.66 -2.11 114.58 116.39 3iqb h GLU 65 Ca -0.00 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3iqb h GLU 65 Cb 0.31 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3iqb h GLU 65 CO 0.02 1.14 0.12 0.82 -0.73 0.00 0.00 179.01 180.38 3iqb h ILE 66 N 0.10 1.18 -0.72 2.32 2.04 -0.48 -1.62 117.51 120.32 3iqb h ILE 66 Ca -0.10 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3iqb h ILE 66 Cb 1.81 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 3iqb h ILE 66 CO 0.18 0.19 0.36 -0.50 0.00 0.00 0.00 178.15 178.38 3iqb h TRP 67 N 0.32 1.00 -0.32 1.37 -0.00 -0.95 0.27 115.95 117.65 3iqb h TRP 67 Ca 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 3iqb h TRP 67 Cb 0.18 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.01 3iqb h TRP 67 CO -0.01 0.72 0.14 -0.09 -0.00 0.00 0.00 178.44 179.20 3iqb h ARG 68 N 1.01 0.47 -0.49 0.49 9.65 -1.18 0.48 114.38 124.81 3iqb h ARG 68 Ca 0.25 -0.08 -0.13 0.00 -1.10 0.00 0.00 59.98 58.92 3iqb h ARG 68 Cb 0.07 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 3iqb h ARG 68 CO -0.04 0.46 -0.20 0.93 2.80 0.00 0.00 179.97 183.92 3iqb h GLU 69 N 0.37 1.00 -0.68 0.20 5.08 -0.73 -2.60 114.58 117.22 3iqb h GLU 69 Ca 0.11 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3iqb h GLU 69 Cb 0.15 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3iqb h GLU 69 CO -0.01 1.10 0.41 0.28 -1.00 0.00 0.00 179.01 179.78 3iqb h VAL 70 N 0.86 1.20 -0.24 3.13 2.07 -0.33 -2.15 116.25 120.78 3iqb h VAL 70 Ca 0.11 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.25 3iqb h VAL 70 Cb 0.78 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3iqb h VAL 70 CO 0.06 0.20 -0.12 1.23 0.02 0.00 0.00 177.57 178.97 3iqb h GLY 71 N 0.92 0.08 0.99 2.17 0.00 -0.71 0.46 103.07 106.98 3iqb h GLY 71 Ca 0.24 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3iqb h GLY 71 CO -0.05 -0.14 0.02 3.21 0.00 0.00 0.00 176.54 179.58 3iqb h ARG 72 N -0.09 0.04 -0.00 4.80 3.08 -1.20 -3.02 114.38 117.98 3iqb h ARG 72 Ca 0.13 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 3iqb h ARG 72 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3iqb h ARG 72 CO -0.30 0.02 -0.79 0.37 -1.07 0.00 0.00 179.97 178.20 3iqb h GLN 73 N 0.04 0.09 0.00 0.04 5.75 -1.26 -3.24 115.11 116.53 3iqb h GLN 73 Ca 0.01 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3iqb h GLN 73 Cb -0.00 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 3iqb h GLN 73 CO -0.01 0.83 -0.16 -0.97 -2.65 0.00 0.00 178.83 175.87 3iqb h ASN 74 N 0.05 0.00 -0.79 -0.69 -1.24 0.04 -2.31 115.58 110.64 3iqb h ASN 74 Ca -0.02 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.01 3iqb h ASN 74 Cb 1.39 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.40 3iqb h ASN 74 CO 0.11 0.16 0.52 0.15 -1.29 0.00 0.00 177.43 177.09 3iqb h PHE 75 N 0.00 0.97 0.21 0.67 3.57 -1.56 0.21 116.94 121.03 3iqb h PHE 75 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3iqb h PHE 75 Cb 0.47 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3iqb h PHE 75 CO 0.00 0.60 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.35 3iqb h LYS 76 N 1.03 -0.28 -0.39 1.11 3.64 -1.62 -1.70 116.57 118.37 3iqb h LYS 76 Ca 0.30 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 3iqb h LYS 76 Cb -0.06 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3iqb h LYS 76 CO -0.07 0.04 0.00 1.15 -2.27 0.00 0.00 179.45 178.30 3iqb h THR 77 N -0.62 0.71 -0.27 1.00 2.02 -1.24 -2.07 112.91 112.44 3iqb h THR 77 Ca -0.03 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3iqb h THR 77 Cb 0.45 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3iqb h THR 77 CO 0.05 0.02 -0.06 0.15 0.37 0.00 0.00 175.52 176.04 3iqb h PHE 78 N 0.11 0.59 -0.01 3.16 3.57 -0.64 -2.72 116.94 120.99 3iqb h PHE 78 Ca 0.19 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3iqb h PHE 78 Cb 0.27 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3iqb h PHE 78 CO -0.26 0.73 -0.24 0.66 -2.23 0.00 0.00 178.31 176.97 3iqb h SER 79 N 0.28 0.02 -0.10 0.41 4.64 -1.11 0.60 113.55 118.29 3iqb h SER 79 Ca 0.07 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.20 3iqb h SER 79 Cb 0.54 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3iqb h SER 79 CO 0.03 0.26 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.30 3iqb h GLU 80 N 0.02 0.70 0.00 4.77 5.08 -1.31 -2.97 114.58 120.87 3iqb h GLU 80 Ca 0.00 -0.48 -0.18 0.00 -1.00 0.00 0.00 59.36 57.70 3iqb h GLU 80 Cb 0.43 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3iqb h GLU 80 CO 0.03 1.10 -1.07 -1.49 -1.00 0.00 0.00 179.01 176.58 3iqb h TRP 81 N 0.52 0.00 -2.14 4.33 4.06 -1.11 -3.38 115.95 118.23 3iqb h TRP 81 Ca -0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 3iqb h TRP 81 Cb 1.20 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 28.95 3iqb h TRP 81 CO 0.06 0.74 -0.88 1.19 -3.56 0.00 0.00 178.44 175.99 3iqb n PHE 82 N -3.14 2.14 0.28 0.49 3.01 0.16 -4.95 117.46 115.43 3iqb n PHE 82 Ca -0.05 -3.91 0.14 0.00 1.01 0.00 0.00 57.45 54.65 3iqb n PHE 82 Cb 0.87 -0.46 0.82 0.00 -0.01 0.00 0.00 39.48 40.70 3iqb n PHE 82 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3iqb h PRO 83 N 3.26 0.00 -0.60 -1.08 0.13 -1.72 -3.07 132.00 128.92 3iqb h PRO 83 Ca 0.12 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.43 3iqb h PRO 83 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 3iqb h PRO 83 CO 0.67 0.07 0.49 0.66 -0.23 0.00 0.00 178.00 179.66 3iqb h SER 84 N 0.00 0.00 0.31 1.44 4.64 -1.92 -0.49 113.55 117.53 3iqb h SER 84 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iqb h SER 84 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3iqb h SER 84 CO 0.01 0.00 -0.48 -1.22 -0.87 0.00 0.00 176.83 174.27 3iqb n TYR 85 N -4.08 0.00 -1.98 4.77 4.02 -1.16 -4.34 117.16 114.40 3iqb n TYR 85 Ca 0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.90 3iqb n TYR 85 Cb 0.73 -0.16 0.08 0.00 -0.02 0.00 0.00 39.34 39.98 3iqb n TYR 85 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3iqb n PHE 86 N -1.11 1.58 0.63 -0.72 3.72 -0.19 -4.70 117.46 116.67 3iqb n PHE 86 Ca 0.08 -1.89 0.07 0.00 -0.05 0.00 0.00 57.45 55.66 3iqb n PHE 86 Cb 0.35 -0.29 0.02 0.00 -0.94 0.00 0.00 39.48 38.62 3iqb n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iqb n ALA 87 N -0.77 2.82 -0.58 4.37 0.00 -1.24 -5.02 120.51 120.09 3iqb n ALA 87 Ca 0.31 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 3iqb n ALA 87 Cb 0.87 -0.50 0.24 0.00 0.00 0.00 0.00 19.45 20.07 3iqb n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iqb s GLY 88 N -1.53 1.56 -0.16 0.00 0.00 -1.26 -5.00 107.32 100.93 3iqb s GLY 88 Ca 0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.67 3iqb s GLY 88 CO 0.29 0.63 0.30 -2.13 0.00 0.00 0.00 173.10 172.18 3iqb n ARG 89 N -4.85 0.68 -4.21 2.90 0.63 -1.26 -4.92 116.66 105.63 3iqb n ARG 89 Ca 0.04 0.39 -0.34 0.00 -0.92 0.00 0.00 57.85 57.01 3iqb n ARG 89 Cb 0.54 -1.72 -0.13 0.00 0.45 0.00 0.00 32.46 31.60 3iqb n ARG 89 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3iqb s ARG 90 N -2.48 3.58 0.28 -0.14 3.00 -1.26 -5.00 118.95 116.93 3iqb s ARG 90 Ca -0.25 -0.55 0.00 0.00 0.00 0.00 0.00 55.73 54.93 3iqb s ARG 90 Cb 0.06 -2.98 0.64 0.00 0.00 0.00 0.00 34.95 32.67 3iqb s ARG 90 CO 0.70 0.07 1.67 1.25 0.00 0.00 0.00 175.30 178.99 3iqb h LEU 91 N 7.26 0.08 -1.04 2.53 5.85 -1.91 -2.05 115.31 126.03 3iqb h LEU 91 Ca -0.34 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3iqb h LEU 91 Cb 1.18 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 3iqb h LEU 91 CO 0.61 -0.08 0.14 1.62 -0.34 0.00 0.00 178.44 180.39 3iqb h VAL 92 N 0.27 1.22 -0.13 1.05 3.04 -1.99 0.30 116.25 120.01 3iqb h VAL 92 Ca 0.51 -0.80 -0.22 0.00 -1.01 0.00 0.00 66.70 65.19 3iqb h VAL 92 Cb 0.98 0.66 0.01 0.00 -2.01 0.00 0.00 31.29 30.92 3iqb h VAL 92 CO -0.58 0.30 -0.77 -1.13 -1.01 0.00 0.00 177.57 174.37 3iqb h ASN 93 N 0.80 0.83 -0.12 3.17 -1.24 -1.83 -1.50 115.58 115.69 3iqb h ASN 93 Ca 0.18 -0.55 0.05 0.00 0.71 0.00 0.00 56.30 56.69 3iqb h ASN 93 Cb 0.28 -0.25 -0.06 0.00 0.73 0.00 0.00 38.32 39.03 3iqb h ASN 93 CO -0.00 1.34 -0.26 0.15 -1.29 0.00 0.00 177.43 177.37 3iqb h PHE 94 N 0.48 -0.69 -0.78 0.67 3.57 -0.72 -0.86 116.94 118.60 3iqb h PHE 94 Ca -0.05 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3iqb h PHE 94 Cb 1.39 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 40.41 3iqb h PHE 94 CO 0.08 -0.34 0.51 -0.07 -2.23 0.00 0.00 178.31 176.26 3iqb h LEU 95 N -0.33 0.88 -1.61 0.59 3.38 -0.86 -1.82 115.31 115.53 3iqb h LEU 95 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3iqb h LEU 95 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iqb h LEU 95 CO -0.31 0.63 -0.20 0.24 0.09 0.00 0.00 178.44 178.89 3iqb h MET 96 N 1.04 0.00 0.00 1.13 2.86 -0.96 -2.68 114.93 116.32 3iqb h MET 96 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3iqb h MET 96 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3iqb h MET 96 CO -0.08 0.20 -0.23 -1.33 1.06 0.00 0.00 176.91 176.53 3iqb n MET 97 N -3.75 0.20 -0.16 1.72 2.81 -0.36 -4.37 117.12 113.21 3iqb n MET 97 Ca -0.02 0.12 -0.05 0.00 -1.81 0.00 0.00 57.70 55.94 3iqb n MET 97 Cb 0.31 -1.68 0.14 0.00 -0.71 0.00 0.00 33.22 31.27 3iqb n MET 97 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3iqb h MET 98 N 0.00 0.92 -1.00 0.03 2.07 -1.14 -1.97 114.93 113.83 3iqb h MET 98 Ca 0.00 -0.22 0.04 0.00 -2.07 0.00 0.00 59.70 57.45 3iqb h MET 98 Cb 0.67 -0.12 -0.06 0.00 -1.87 0.00 0.00 31.60 30.22 3iqb h MET 98 CO 0.00 0.85 0.66 0.22 1.07 0.00 0.00 176.91 179.70 3iqb h ASP 99 N 0.87 1.10 -0.10 1.22 3.58 -1.76 -1.10 116.42 120.22 3iqb h ASP 99 Ca 0.18 -0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.41 3iqb h ASP 99 Cb 0.38 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.18 3iqb h ASP 99 CO 0.01 0.75 -0.74 -0.08 -2.88 0.00 0.00 179.24 176.30 3iqb h GLU 100 N 1.27 0.74 -0.08 0.28 4.57 -1.71 -0.87 114.58 118.78 3iqb h GLU 100 Ca 0.40 -0.58 0.03 0.00 -1.18 0.00 0.00 59.36 58.02 3iqb h GLU 100 Cb -0.01 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3iqb h GLU 100 CO -0.12 1.20 -0.10 0.28 -1.18 0.00 0.00 179.01 179.09 3iqb h VAL 101 N 0.52 0.73 -0.64 0.32 2.07 -1.04 0.90 116.25 119.10 3iqb h VAL 101 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3iqb h VAL 101 Cb 1.36 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3iqb h VAL 101 CO 0.15 0.00 0.36 0.45 0.02 0.00 0.00 177.57 178.55 3iqb h HIS 102 N -0.13 0.88 -0.99 1.57 3.86 -1.19 -2.47 115.15 116.68 3iqb h HIS 102 Ca 0.06 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3iqb h HIS 102 Cb 0.22 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 3iqb h HIS 102 CO -0.20 0.62 0.66 1.25 0.86 0.00 0.00 177.93 181.12 3iqb h LEU 103 N 0.88 1.13 -0.76 2.43 5.85 -0.83 -1.42 115.31 122.58 3iqb h LEU 103 Ca 0.23 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3iqb h LEU 103 Cb 0.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3iqb h LEU 103 CO -0.04 0.81 0.26 -0.61 -0.34 0.00 0.00 178.44 178.52 3iqb h GLN 104 N 1.33 1.17 -0.71 1.25 5.75 -0.53 -1.58 115.11 121.78 3iqb h GLN 104 Ca 0.37 -0.24 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3iqb h GLN 104 Cb -0.13 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.22 3iqb h GLN 104 CO -0.09 0.98 0.24 -0.07 -2.65 0.00 0.00 178.83 177.24 3iqb h LEU 105 N 1.13 1.00 -0.87 -2.39 3.38 -0.97 -0.44 115.31 116.15 3iqb h LEU 105 Ca 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3iqb h LEU 105 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3iqb h LEU 105 CO -0.01 0.92 0.19 0.74 0.09 0.00 0.00 178.44 180.36 3iqb h THR 106 N 1.04 1.25 -0.21 0.22 2.02 -0.95 -0.92 112.91 115.36 3iqb h THR 106 Ca 0.23 -0.88 -0.17 0.00 0.77 0.00 0.00 66.41 66.36 3iqb h THR 106 Cb 0.26 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3iqb h THR 106 CO -0.01 0.34 -0.54 0.50 0.37 0.00 0.00 175.52 176.17 3iqb h LYS 107 N 0.98 0.73 0.00 6.66 1.63 -0.95 -3.39 116.57 122.23 3iqb h LYS 107 Ca 0.21 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3iqb h LYS 107 Cb 0.31 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3iqb h LYS 107 CO -0.00 1.13 -1.44 -1.33 -3.45 0.00 0.00 179.45 174.35 3iqb n MET 108 N -4.10 0.60 -3.85 1.90 2.81 -0.20 -4.92 117.12 109.36 3iqb n MET 108 Ca -0.06 -0.10 -0.36 0.00 -1.81 0.00 0.00 57.70 55.37 3iqb n MET 108 Cb 0.62 -1.25 -0.13 0.00 -0.71 0.00 0.00 33.22 31.74 3iqb n MET 108 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3iqb s ILE 109 N -2.74 3.63 0.15 2.02 1.01 -0.36 -5.05 121.20 119.86 3iqb s ILE 109 Ca -0.04 -0.57 -0.34 0.00 0.00 0.00 0.00 60.65 59.70 3iqb s ILE 109 Cb 0.08 -2.75 -0.14 0.00 0.01 0.00 0.00 42.46 39.65 3iqb s ILE 109 CO 0.48 0.28 1.56 1.17 0.00 0.00 0.00 174.94 178.43 3iqb n LYS 110 N 4.82 2.06 -0.80 2.79 3.00 -1.26 -2.24 118.16 126.53 3iqb n LYS 110 Ca -0.17 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 3iqb n LYS 110 Cb 0.50 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 33.02 3iqb n LYS 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3iqb n GLY 111 N 3.36 1.25 3.70 3.14 0.00 -1.26 -5.01 105.19 110.36 3iqb n GLY 111 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3iqb n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqb s ALA 112 N -3.73 3.51 -0.39 4.61 0.00 -0.95 -4.64 121.76 120.16 3iqb s ALA 112 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 51.96 51.77 3iqb s ALA 112 Cb 0.00 -2.68 0.33 0.00 0.00 0.00 0.00 23.12 20.77 3iqb s ALA 112 CO 0.00 -0.15 0.70 0.25 0.00 0.00 0.00 175.76 176.55 3iqb n THR 113 N 3.99 -0.11 -0.88 0.00 -2.24 -1.26 -4.32 114.28 109.46 3iqb n THR 113 Ca -0.07 -4.52 -0.31 0.00 -2.27 0.00 0.00 64.05 56.88 3iqb n THR 113 Cb 0.51 -0.69 0.14 0.00 -2.10 0.00 0.00 70.33 68.20 3iqb n THR 113 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3iqb s PRO 114 N -2.21 1.36 0.69 -0.78 0.02 -1.26 -4.96 135.00 127.86 3iqb s PRO 114 Ca 0.39 1.40 -0.11 0.00 0.02 0.00 0.00 61.00 62.70 3iqb s PRO 114 Cb 0.31 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 33.05 3iqb s PRO 114 CO -0.09 -2.34 1.06 -1.25 -0.33 0.00 0.00 177.00 174.05 3iqb s PRO 115 N -4.73 3.01 0.46 5.54 0.04 -1.26 -4.94 135.00 133.12 3iqb s PRO 115 Ca 0.65 0.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 3iqb s PRO 115 Cb -0.21 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3iqb s PRO 115 CO 0.57 -1.01 1.14 1.03 0.04 0.00 0.00 177.00 178.78 3iqb s ARG 116 N -5.12 3.77 -0.31 4.56 1.81 -0.09 -4.84 118.95 118.73 3iqb s ARG 116 Ca 0.58 1.71 0.18 0.00 -1.72 0.00 0.00 55.73 56.48 3iqb s ARG 116 Cb -0.13 -2.38 0.47 0.00 -0.45 0.00 0.00 34.95 32.46 3iqb s ARG 116 CO 0.54 -0.53 0.98 1.28 -0.68 0.00 0.00 175.30 176.90 3iqb n LEU 117 N -0.53 1.38 -4.68 2.53 4.77 -1.25 -1.85 117.00 117.38 3iqb n LEU 117 Ca 0.07 -3.61 -0.42 0.00 -0.03 0.00 0.00 56.01 52.03 3iqb n LEU 117 Cb 0.49 0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 3iqb n LEU 117 CO 0.46 1.49 1.51 -0.63 -1.33 0.00 0.00 177.39 178.89 3iqb s ILE 118 N -3.14 2.82 0.10 -0.08 1.01 -1.16 -4.06 121.20 116.68 3iqb s ILE 118 Ca 0.27 0.11 0.06 0.00 0.00 0.00 0.00 60.65 61.09 3iqb s ILE 118 Cb 0.44 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3iqb s ILE 118 CO 0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 174.94 174.90 3iqb s ALA 119 N 3.46 3.07 -0.13 9.38 0.00 -1.26 -1.20 121.76 135.09 3iqb s ALA 119 Ca 0.83 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 3iqb s ALA 119 Cb -0.44 -1.00 0.06 0.00 0.00 0.00 0.00 23.12 21.74 3iqb s ALA 119 CO 0.38 0.66 0.29 0.21 0.00 0.00 0.00 175.76 177.30 3iqb s LYS 120 N -2.23 0.21 0.20 0.00 2.20 0.10 -4.96 119.74 115.26 3iqb s LYS 120 Ca 0.23 0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 56.24 3iqb s LYS 120 Cb -0.11 -0.03 -0.10 0.00 -1.51 0.00 0.00 37.83 36.08 3iqb s LYS 120 CO 0.15 -0.23 1.51 -2.14 -0.36 0.00 0.00 175.35 174.29 3iqb s PRO 121 N 1.95 4.23 0.00 4.03 0.02 -1.26 0.43 135.00 144.40 3iqb s PRO 121 Ca -0.04 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3iqb s PRO 121 Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3iqb s PRO 121 CO -0.09 -0.53 0.00 1.33 -0.33 0.00 0.00 177.00 177.38 3iqb n VAL 122 N 3.23 0.00 -3.72 3.83 0.24 -0.40 -4.85 118.33 116.66 3iqb n VAL 122 Ca 0.11 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 62.00 3iqb n VAL 122 Cb 0.39 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.66 3iqb n VAL 122 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iqb s ALA 123 N -0.87 -1.37 0.58 2.33 0.00 -1.05 -4.96 121.76 116.41 3iqb s ALA 123 Ca 0.00 -0.02 0.43 0.00 0.00 0.00 0.00 51.96 52.37 3iqb s ALA 123 Cb 0.00 0.84 2.29 0.00 0.00 0.00 0.00 23.12 26.24 3iqb s ALA 123 CO 0.00 -0.95 2.31 0.87 0.00 0.00 0.00 175.76 177.99 3iqb h LYS 124 N 2.00 0.00 0.00 0.00 1.57 -1.98 -2.23 116.57 115.93 3iqb h LYS 124 Ca -0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3iqb h LYS 124 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 3iqb h LYS 124 CO 0.28 0.00 -0.16 -0.40 -0.57 0.00 0.00 179.45 178.60 3iqb n ASP 125 N -3.06 1.85 -3.68 0.86 5.75 -1.26 0.31 116.55 117.32 3iqb n ASP 125 Ca -0.03 -2.95 -0.15 0.00 -0.01 0.00 0.00 54.79 51.66 3iqb n ASP 125 Cb 0.10 -0.40 -0.08 0.00 -1.03 0.00 0.00 41.12 39.71 3iqb n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iqb s ALA 126 N -2.34 -1.16 0.13 2.12 0.00 -0.84 0.27 121.76 119.93 3iqb s ALA 126 Ca 0.27 0.81 0.08 0.00 0.00 0.00 0.00 51.96 53.12 3iqb s ALA 126 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3iqb s ALA 126 CO 0.01 -0.29 -0.19 0.96 0.00 0.00 0.00 175.76 176.25 3iqb s ILE 127 N -1.02 1.69 -0.19 0.00 -4.36 -0.44 -1.28 121.20 115.60 3iqb s ILE 127 Ca -0.11 -1.71 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 3iqb s ILE 127 Cb -0.03 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.97 3iqb s ILE 127 CO 0.05 -0.22 0.20 -1.61 0.24 0.00 0.00 174.94 173.61 3iqb s GLU 128 N -2.37 4.20 -0.11 0.37 2.02 0.17 -0.29 118.70 122.69 3iqb s GLU 128 Ca 0.10 -0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.02 3iqb s GLU 128 Cb -0.08 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 3iqb s GLU 128 CO 0.05 0.23 -0.20 1.41 0.02 0.00 0.00 175.26 176.77 3iqb s MET 129 N 0.55 3.18 -0.28 1.61 -2.45 -0.38 0.01 119.30 121.54 3iqb s MET 129 Ca 0.11 -0.80 -0.05 0.00 -1.25 0.00 0.00 55.69 53.70 3iqb s MET 129 Cb -0.12 -2.43 0.02 0.00 1.25 0.00 0.00 34.83 33.55 3iqb s MET 129 CO 0.01 0.19 0.03 -2.00 1.05 0.00 0.00 175.02 174.30 3iqb s GLU 130 N 0.35 2.98 -0.10 4.11 2.12 -0.34 -0.79 118.70 127.03 3iqb s GLU 130 Ca -0.16 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 53.97 3iqb s GLU 130 Cb -0.17 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 3iqb s GLU 130 CO 0.08 -0.43 1.12 -0.47 -0.54 0.00 0.00 175.26 175.02 3iqb s TYR 131 N 1.43 3.29 -0.08 5.30 5.04 0.57 -3.00 117.35 129.89 3iqb s TYR 131 Ca 0.01 1.36 -0.01 0.00 -2.44 0.00 0.00 57.07 55.99 3iqb s TYR 131 Cb -0.17 -3.33 0.03 0.00 0.35 0.00 0.00 41.96 38.84 3iqb s TYR 131 CO -0.00 -0.88 -0.03 0.08 -1.34 0.00 0.00 175.55 173.39 3iqb s VAL 132 N 2.37 0.59 0.03 3.14 1.01 -0.77 -1.04 120.40 125.71 3iqb s VAL 132 Ca 0.52 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 3iqb s VAL 132 Cb -0.21 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.50 3iqb s VAL 132 CO 0.18 0.29 0.25 -0.55 0.00 0.00 0.00 175.10 175.27 3iqb s SER 133 N 1.76 -0.07 0.25 3.32 0.15 -0.52 -0.91 113.70 117.68 3iqb s SER 133 Ca 0.03 -0.20 0.24 0.00 0.70 0.00 0.00 55.95 56.71 3iqb s SER 133 Cb -0.13 0.31 0.38 0.00 -1.71 0.00 0.00 66.02 64.87 3iqb s SER 133 CO -0.05 -0.54 1.45 0.11 1.20 0.00 0.00 173.24 175.40 3iqb h LYS 134 N 3.51 0.00 0.00 5.44 1.79 -1.87 0.33 116.57 125.77 3iqb h LYS 134 Ca -0.31 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.96 3iqb h LYS 134 Cb 1.19 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.90 3iqb h LYS 134 CO 0.45 0.00 0.12 0.54 -1.08 0.00 0.00 179.45 179.48 3iqb n ARG 135 N -2.55 -0.15 -3.40 3.15 1.74 -1.26 -4.80 116.66 109.40 3iqb n ARG 135 Ca 0.03 -1.02 -0.21 0.00 -0.77 0.00 0.00 57.85 55.88 3iqb n ARG 135 Cb 0.49 -0.44 -0.09 0.00 -1.02 0.00 0.00 32.46 31.39 3iqb n ARG 135 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3iqb s LYS 136 N -3.92 0.59 -0.47 5.56 2.20 -1.26 -4.13 119.74 118.30 3iqb s LYS 136 Ca 0.31 -0.99 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 3iqb s LYS 136 Cb -0.01 -0.93 0.38 0.00 -1.51 0.00 0.00 37.83 35.77 3iqb s LYS 136 CO 0.21 -1.19 0.98 -1.33 -0.36 0.00 0.00 175.35 173.66 3iqb n MET 137 N 4.23 2.82 -0.19 4.03 2.81 -1.26 -4.92 117.12 124.64 3iqb n MET 137 Ca 0.11 -4.38 -0.01 0.00 -1.81 0.00 0.00 57.70 51.61 3iqb n MET 137 Cb 0.42 -2.07 0.10 0.00 -0.71 0.00 0.00 33.22 30.96 3iqb n MET 137 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 3iqb h TYR 138 N 2.83 0.38 -0.11 2.03 0.99 -1.99 -0.96 116.97 120.14 3iqb h TYR 138 Ca 0.17 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.72 3iqb h TYR 138 Cb 0.79 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 38.44 3iqb h TYR 138 CO 0.75 0.11 -0.75 -0.44 -0.00 0.00 0.00 178.16 177.83 3iqb h ASP 139 N 0.40 0.67 -0.15 3.88 3.32 -1.91 -1.93 116.42 120.70 3iqb h ASP 139 Ca 0.29 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3iqb h ASP 139 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3iqb h ASP 139 CO -0.29 1.20 0.08 0.22 -1.72 0.00 0.00 179.24 178.74 3iqb h TYR 140 N 0.38 0.21 -0.34 4.55 3.20 -1.59 -1.51 116.97 121.86 3iqb h TYR 140 Ca -0.04 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.90 3iqb h TYR 140 Cb 1.35 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.48 3iqb h TYR 140 CO 0.06 0.21 -0.15 0.35 -1.64 0.00 0.00 178.16 176.99 3iqb h PHE 141 N 0.15 -0.35 -0.23 -3.82 3.57 -1.08 -0.18 116.94 115.00 3iqb h PHE 141 Ca 0.05 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3iqb h PHE 141 Cb 0.07 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3iqb h PHE 141 CO -0.04 -0.22 0.12 -0.07 -2.23 0.00 0.00 178.31 175.87 3iqb h LEU 142 N -0.09 0.20 -1.06 0.59 3.38 -1.22 -2.10 115.31 115.01 3iqb h LEU 142 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3iqb h LEU 142 Cb 0.35 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3iqb h LEU 142 CO -0.40 0.15 0.31 1.23 0.09 0.00 0.00 178.44 179.81 3iqb h GLY 143 N 0.26 1.04 1.04 0.83 0.00 -0.90 -2.08 103.07 103.26 3iqb h GLY 143 Ca 0.09 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3iqb h GLY 143 CO -0.05 0.49 -0.08 -2.75 0.00 0.00 0.00 176.54 174.15 3iqb h PHE 144 N 0.96 1.01 -0.56 5.60 3.04 -0.72 0.15 116.94 126.42 3iqb h PHE 144 Ca 0.23 -0.20 0.04 0.00 3.98 0.00 0.00 57.97 62.02 3iqb h PHE 144 Cb 0.13 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 3iqb h PHE 144 CO 0.01 0.97 0.31 0.82 -2.02 0.00 0.00 178.31 178.40 3iqb h ILE 145 N 0.76 0.99 -0.45 1.41 1.08 -1.24 -1.04 117.51 119.01 3iqb h ILE 145 Ca 0.13 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.34 3iqb h ILE 145 Cb 0.62 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 3iqb h ILE 145 CO 0.04 0.11 0.06 -0.33 -0.69 0.00 0.00 178.15 177.34 3iqb h GLU 146 N 0.60 0.70 -0.12 2.37 5.08 -0.88 -2.01 114.58 120.31 3iqb h GLU 146 Ca 0.24 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3iqb h GLU 146 Cb 0.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iqb h GLU 146 CO -0.15 0.67 -0.27 0.78 -1.00 0.00 0.00 179.01 179.04 3iqb h GLY 147 N 0.91 0.24 1.70 -3.84 0.00 -0.26 -2.88 103.07 98.94 3iqb h GLY 147 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3iqb h GLY 147 CO 0.01 0.17 -0.04 1.48 0.00 0.00 0.00 176.54 178.15 3iqb h SER 148 N 0.20 0.35 -0.28 0.19 4.64 -0.43 -2.68 113.55 115.54 3iqb h SER 148 Ca 0.03 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3iqb h SER 148 Cb 0.59 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3iqb h SER 148 CO 0.04 0.45 0.15 -1.28 -0.87 0.00 0.00 176.83 175.32 3iqb h SER 149 N 0.36 0.35 0.26 4.97 0.87 -1.41 -1.76 113.55 117.20 3iqb h SER 149 Ca 0.08 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 3iqb h SER 149 Cb 0.32 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3iqb h SER 149 CO 0.01 0.34 -0.17 0.11 -0.53 0.00 0.00 176.83 176.59 3iqb h LYS 150 N 0.33 0.00 0.08 2.24 1.79 -1.51 -0.70 116.57 118.80 3iqb h LYS 150 Ca 0.10 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 3iqb h LYS 150 Cb 0.07 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3iqb h LYS 150 CO -0.02 0.17 -0.63 0.35 -1.08 0.00 0.00 179.45 178.25 3iqb h PHE 151 N 0.00 0.31 0.00 -1.35 3.57 -1.23 -3.25 116.94 114.99 3iqb h PHE 151 Ca -0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3iqb h PHE 151 Cb 0.35 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3iqb h PHE 151 CO 0.00 1.24 0.00 1.19 -2.23 0.00 0.00 178.31 178.51 3iqb n PHE 152 N -4.29 0.00 -3.18 0.41 3.01 -0.68 -4.90 117.46 107.83 3iqb n PHE 152 Ca -0.15 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.08 3iqb n PHE 152 Cb 0.71 -0.31 0.03 0.00 -0.01 0.00 0.00 39.48 39.90 3iqb n PHE 152 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3iqb n LYS 153 N -1.31 -4.98 -4.39 -1.08 5.02 -0.33 -4.90 118.16 106.19 3iqb n LYS 153 Ca 0.12 0.81 -0.32 0.00 -2.02 0.00 0.00 58.31 56.89 3iqb n LYS 153 Cb 0.22 -5.67 -0.16 0.00 -0.02 0.00 0.00 35.03 29.40 3iqb n LYS 153 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3iqb s GLU 154 N -5.87 2.92 0.21 1.97 2.02 -0.84 -5.03 118.70 114.09 3iqb s GLU 154 Ca 0.37 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 3iqb s GLU 154 Cb -0.17 -2.44 -0.09 0.00 0.10 0.00 0.00 34.13 31.53 3iqb s GLU 154 CO 0.45 -0.11 1.30 -1.21 0.02 0.00 0.00 175.26 175.71 3iqb s GLU 155 N 1.06 4.39 0.10 1.61 2.02 -1.26 -4.64 118.70 121.99 3iqb s GLU 155 Ca -0.01 2.06 -0.05 0.00 0.02 0.00 0.00 54.97 56.99 3iqb s GLU 155 Cb -0.14 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 3iqb s GLU 155 CO -0.07 -0.23 0.12 0.96 0.02 0.00 0.00 175.26 176.06 3iqb s ILE 156 N -0.04 0.14 -0.05 -1.63 -4.36 -1.26 -2.96 121.20 111.04 3iqb s ILE 156 Ca 0.56 -1.54 0.04 0.00 -0.26 0.00 0.00 60.65 59.44 3iqb s ILE 156 Cb -0.37 -1.64 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 3iqb s ILE 156 CO 0.40 -0.63 -0.16 -0.94 0.24 0.00 0.00 174.94 173.84 3iqb s SER 157 N -2.94 3.86 -0.23 4.36 1.04 -0.38 -4.97 113.70 114.44 3iqb s SER 157 Ca 0.12 -0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 3iqb s SER 157 Cb 0.06 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.36 3iqb s SER 157 CO -0.06 0.33 -0.04 -0.69 0.98 0.00 0.00 173.24 173.76 3iqb s VAL 158 N -0.64 3.26 -0.20 5.02 1.01 -1.26 -1.60 120.40 126.00 3iqb s VAL 158 Ca 0.10 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3iqb s VAL 158 Cb -0.11 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3iqb s VAL 158 CO 0.01 0.33 -0.15 -0.70 0.00 0.00 0.00 175.10 174.59 3iqb s GLU 159 N 1.44 3.01 -0.03 2.72 2.12 -0.36 -4.96 118.70 122.63 3iqb s GLU 159 Ca 0.04 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 3iqb s GLU 159 Cb -0.15 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 3iqb s GLU 159 CO -0.03 -0.25 1.07 -2.00 -0.54 0.00 0.00 175.26 173.51 3iqb s GLU 160 N 1.32 4.46 -0.04 4.30 2.12 -1.26 0.71 118.70 130.30 3iqb s GLU 160 Ca 0.04 1.53 0.05 0.00 0.36 0.00 0.00 54.97 56.94 3iqb s GLU 160 Cb -0.14 -3.48 -0.07 0.00 0.26 0.00 0.00 34.13 30.70 3iqb s GLU 160 CO -0.10 -0.24 0.03 1.33 -0.54 0.00 0.00 175.26 175.75 3iqb n VAL 161 N 4.23 0.30 -3.91 3.70 0.24 -0.19 -4.94 118.33 117.77 3iqb n VAL 161 Ca 0.08 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 3iqb n VAL 161 Cb 0.49 -0.67 -0.12 0.00 -1.47 0.00 0.00 33.84 32.07 3iqb n VAL 161 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3iqb s GLU 162 N -2.17 0.17 -0.10 7.34 2.02 -1.05 -4.99 118.70 119.92 3iqb s GLU 162 Ca -0.02 -0.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.58 3iqb s GLU 162 Cb 0.02 0.06 0.03 0.00 0.10 0.00 0.00 34.13 34.34 3iqb s GLU 162 CO 0.22 -0.03 0.33 0.50 0.02 0.00 0.00 175.26 176.29 3iqb s ARG 163 N -0.68 0.46 0.00 1.61 3.52 -1.26 -1.46 118.95 121.15 3iqb s ARG 163 Ca -0.07 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 3iqb s ARG 163 Cb -0.05 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3iqb s ARG 163 CO -0.00 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 3iqb n GLY 164 N 2.47 1.88 3.45 8.12 0.00 -0.63 -5.01 105.19 115.45 3iqb n GLY 164 Ca -0.15 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3iqb n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iqb s GLU 165 N -2.00 3.12 -0.09 1.61 2.02 -1.26 -0.75 118.70 121.35 3iqb s GLU 165 Ca 0.00 -0.64 -0.05 0.00 0.02 0.00 0.00 54.97 54.29 3iqb s GLU 165 Cb 0.00 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.67 3iqb s GLU 165 CO 0.00 0.38 0.22 0.15 0.02 0.00 0.00 175.26 176.03 3iqb s LYS 166 N -0.08 0.19 -1.50 1.61 1.02 -0.63 -4.94 119.74 115.41 3iqb s LYS 166 Ca -0.01 0.44 -0.06 0.00 0.02 0.00 0.00 55.97 56.36 3iqb s LYS 166 Cb -0.14 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.11 3iqb s LYS 166 CO 0.03 -0.13 0.73 -0.25 -0.92 0.00 0.00 175.35 174.81 3iqb n ASP 167 N 3.92 -5.97 0.00 2.83 8.00 -1.26 -1.83 116.55 122.24 3iqb n ASP 167 Ca -0.22 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 54.91 3iqb n ASP 167 Cb 0.54 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.84 3iqb n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iqb n GLY 168 N -1.60 0.93 3.56 0.44 0.00 -1.26 -5.05 105.19 102.21 3iqb n GLY 168 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3iqb n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iqb s PHE 169 N -2.37 3.03 0.12 1.61 0.40 -0.76 -4.63 117.98 115.37 3iqb s PHE 169 Ca 0.00 -0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 55.97 3iqb s PHE 169 Cb 0.00 -1.85 -0.07 0.00 0.51 0.00 0.00 43.02 41.62 3iqb s PHE 169 CO 0.00 0.18 0.83 -1.12 0.70 0.00 0.00 175.22 175.81 3iqb s SER 170 N -0.25 7.38 -0.03 1.36 0.01 0.11 -1.60 113.70 120.68 3iqb s SER 170 Ca 0.04 1.64 0.01 0.00 1.31 0.00 0.00 55.95 58.95 3iqb s SER 170 Cb -0.13 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.61 3iqb s SER 170 CO 0.02 0.08 -0.01 -0.13 0.41 0.00 0.00 173.24 173.60 3iqb s ARG 171 N -0.51 0.45 -0.13 12.44 0.52 0.07 -1.44 118.95 130.35 3iqb s ARG 171 Ca 0.40 0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.58 3iqb s ARG 171 Cb -0.23 -0.56 0.05 0.00 0.52 0.00 0.00 34.95 34.73 3iqb s ARG 171 CO 0.26 -0.11 0.07 -1.17 0.02 0.00 0.00 175.30 174.38 3iqb s LEU 172 N 0.91 0.35 -0.25 2.53 2.96 -0.21 -1.61 118.68 123.37 3iqb s LEU 172 Ca -0.10 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.31 3iqb s LEU 172 Cb -0.13 -0.24 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 3iqb s LEU 172 CO -0.01 -0.31 0.19 -0.75 -1.32 0.00 0.00 176.35 174.15 3iqb s LYS 173 N 2.12 4.04 0.14 1.98 2.20 -0.54 -0.32 119.74 129.37 3iqb s LYS 173 Ca 0.03 -0.24 0.07 0.00 -0.36 0.00 0.00 55.97 55.47 3iqb s LYS 173 Cb -0.15 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3iqb s LYS 173 CO -0.07 -0.02 -0.07 0.14 -0.36 0.00 0.00 175.35 174.97 3iqb s VAL 174 N 1.29 3.47 -0.24 4.02 -7.23 0.03 -1.02 120.40 120.72 3iqb s VAL 174 Ca 0.08 -1.37 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 3iqb s VAL 174 Cb -0.14 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 3iqb s VAL 174 CO 0.07 0.01 0.04 -0.60 -0.31 0.00 0.00 175.10 174.30 3iqb s ARG 175 N -2.54 3.54 -0.29 4.82 3.52 0.22 -1.25 118.95 126.97 3iqb s ARG 175 Ca 0.24 -0.54 -0.09 0.00 -0.13 0.00 0.00 55.73 55.21 3iqb s ARG 175 Cb -0.10 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3iqb s ARG 175 CO 0.16 -0.21 0.12 0.42 -0.81 0.00 0.00 175.30 174.98 3iqb s ILE 176 N 1.57 4.46 -0.16 4.11 1.01 0.60 -1.22 121.20 131.56 3iqb s ILE 176 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3iqb s ILE 176 Cb -0.15 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 3iqb s ILE 176 CO 0.02 0.16 -0.09 -0.75 0.00 0.00 0.00 174.94 174.28 3iqb s LYS 177 N 1.60 3.46 0.03 2.79 2.20 -0.63 -1.33 119.74 127.87 3iqb s LYS 177 Ca 0.05 -0.63 -0.13 0.00 -0.36 0.00 0.00 55.97 54.90 3iqb s LYS 177 Cb -0.16 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 33.31 3iqb s LYS 177 CO 0.05 0.13 0.41 -0.06 -0.36 0.00 0.00 175.35 175.52 3iqb s PHE 178 N 0.61 3.68 0.18 4.03 0.40 0.14 -1.25 117.98 125.77 3iqb s PHE 178 Ca -0.05 0.93 -0.15 0.00 -0.60 0.00 0.00 56.93 57.06 3iqb s PHE 178 Cb -0.15 -2.25 0.15 0.00 0.51 0.00 0.00 43.02 41.27 3iqb s PHE 178 CO 0.03 0.59 1.69 0.87 0.70 0.00 0.00 175.22 179.11 3iqb h LYS 179 N 4.33 0.12 -5.81 0.44 1.79 -1.84 -3.41 116.57 112.19 3iqb h LYS 179 Ca -0.51 -0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.29 3iqb h LYS 179 Cb 1.21 -0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.70 3iqb h LYS 179 CO 0.63 0.08 -0.58 -0.80 -1.08 0.00 0.00 179.45 177.70 3iqb s ASN 180 N -5.26 5.54 0.85 0.86 0.01 -1.26 -5.09 114.94 110.59 3iqb s ASN 180 Ca -0.13 0.21 -0.14 0.00 -0.71 0.00 0.00 52.86 52.09 3iqb s ASN 180 Cb 0.15 -1.67 0.02 0.00 0.41 0.00 0.00 41.25 40.15 3iqb s ASN 180 CO 0.72 0.36 0.58 -0.81 -1.51 0.00 0.00 177.10 176.44 3iqb n PRO 181 N 2.26 -0.01 0.00 -0.60 -0.04 -1.26 -4.88 135.00 130.48 3iqb n PRO 181 Ca -0.19 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3iqb n PRO 181 Cb 0.54 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 3iqb n PRO 181 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3iqb n VAL 182 N -3.12 0.00 -4.44 0.52 0.24 0.15 -4.94 118.33 106.73 3iqb n VAL 182 Ca 0.09 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.34 62.11 3iqb n VAL 182 Cb 0.52 0.39 -0.11 0.00 -1.47 0.00 0.00 33.84 33.17 3iqb n VAL 182 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3iqb s PHE 183 N -0.31 2.31 0.18 6.34 0.08 -0.28 -5.05 117.98 121.25 3iqb s PHE 183 Ca 0.00 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.79 3iqb s PHE 183 Cb 0.00 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 3iqb s PHE 183 CO 0.00 0.62 -0.14 -1.83 -0.10 0.00 0.00 175.22 173.77 3iqb s GLU 184 N -3.15 1.26 0.40 0.44 -1.05 -1.26 -4.67 118.70 110.67 3iqb s GLU 184 Ca 0.26 -1.51 -0.23 0.00 -0.15 0.00 0.00 54.97 53.34 3iqb s GLU 184 Cb -0.06 -1.07 -0.10 0.00 -0.44 0.00 0.00 34.13 32.46 3iqb s GLU 184 CO 0.13 0.18 0.97 0.71 0.95 0.00 0.00 175.26 178.20 3iqb s TYR 185 N -2.80 3.36 -0.03 4.83 2.02 -1.26 -5.07 117.35 118.41 3iqb s TYR 185 Ca 0.19 1.66 -0.04 0.00 -0.37 0.00 0.00 57.07 58.51 3iqb s TYR 185 Cb -0.01 -2.93 0.01 0.00 -0.40 0.00 0.00 41.96 38.62 3iqb s TYR 185 CO 0.06 -0.18 0.10 0.15 -1.57 0.00 0.00 175.55 174.10 3iqb s LYS 186 N -2.80 0.19 0.52 -0.62 -0.14 -1.26 -5.14 119.74 110.49 3iqb s LYS 186 Ca 0.59 0.00 -0.21 0.00 -1.36 0.00 0.00 55.97 54.99 3iqb s LYS 186 Cb -0.14 0.08 -0.07 0.00 -1.68 0.00 0.00 37.83 36.02 3iqb s LYS 186 CO 0.19 -0.03 1.07 1.63 -0.76 0.00 0.00 175.35 177.44 3iqb n LYS 187 N 2.68 1.27 0.00 1.68 4.01 -1.26 -5.35 118.16 121.19 3iqb n LYS 187 Ca -0.15 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.12 3iqb n LYS 187 Cb 0.58 -2.21 0.00 0.00 -0.51 0.00 0.00 35.03 32.89 3iqb n LYS 187 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38