#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ib6 n THR 3 N 0.00 0.13 -4.87 1.96 -2.24 -0.43 -4.96 114.28 103.88 3ib6 n THR 3 Ca 0.00 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 3ib6 n THR 3 Cb 0.00 -0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 67.53 3ib6 n THR 3 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ib6 s HIS 4 N -2.10 1.67 -0.19 4.78 3.76 -0.87 0.47 115.29 122.80 3ib6 s HIS 4 Ca -0.01 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 3ib6 s HIS 4 Cb 0.01 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.60 3ib6 s HIS 4 CO 0.11 -0.08 -0.07 0.08 -0.85 0.00 0.00 174.74 173.93 3ib6 s VAL 5 N -0.26 3.26 -0.23 -0.90 1.01 0.05 -0.60 120.40 122.73 3ib6 s VAL 5 Ca 0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3ib6 s VAL 5 Cb -0.09 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3ib6 s VAL 5 CO 0.00 0.46 0.05 -0.63 0.00 0.00 0.00 175.10 174.98 3ib6 s ILE 6 N 1.12 4.23 -0.01 2.22 1.01 0.15 -1.37 121.20 128.54 3ib6 s ILE 6 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3ib6 s ILE 6 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3ib6 s ILE 6 CO -0.01 0.38 0.09 0.26 0.00 0.00 0.00 174.94 175.66 3ib6 s TRP 7 N 1.33 3.32 0.56 3.97 0.52 -0.23 -0.60 118.94 127.82 3ib6 s TRP 7 Ca 0.05 0.23 -0.07 0.00 0.02 0.00 0.00 56.10 56.33 3ib6 s TRP 7 Cb -0.15 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3ib6 s TRP 7 CO 0.03 0.57 0.90 0.34 0.02 0.00 0.00 176.95 178.80 3ib6 s ASP 8 N -1.75 5.97 -0.00 2.95 2.15 -0.77 -1.11 116.67 124.11 3ib6 s ASP 8 Ca 0.23 0.97 -0.00 0.00 0.43 0.00 0.00 52.55 54.18 3ib6 s ASP 8 Cb -0.12 -2.09 -0.00 0.00 -0.30 0.00 0.00 42.92 40.41 3ib6 s ASP 8 CO 0.14 -0.86 -0.01 0.23 -0.17 0.00 0.00 175.17 174.51 3ib6 n MET 9 N -2.52 0.01 -1.51 4.34 2.81 -1.26 -3.82 117.12 115.17 3ib6 n MET 9 Ca 0.03 0.01 -0.52 0.00 -1.81 0.00 0.00 57.70 55.41 3ib6 n MET 9 Cb 0.56 -0.51 -0.07 0.00 -0.71 0.00 0.00 33.22 32.49 3ib6 n MET 9 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ib6 n GLY 10 N 1.54 0.66 2.38 3.03 0.00 -1.26 -1.65 105.19 109.90 3ib6 n GLY 10 Ca -0.00 0.93 -0.16 0.00 0.00 0.00 0.00 46.02 46.78 3ib6 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ib6 n GLU 11 N 7.57 -1.19 0.03 1.61 1.02 0.24 -4.80 120.64 125.12 3ib6 n GLU 11 Ca 0.37 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.42 3ib6 n GLU 11 Cb 0.22 -5.20 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 3ib6 n GLU 11 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3ib6 n THR 12 N -3.28 0.30 0.03 2.62 5.66 -0.66 -4.59 114.28 114.36 3ib6 n THR 12 Ca -0.17 0.10 -0.16 0.00 -3.05 0.00 0.00 64.05 60.76 3ib6 n THR 12 Cb 0.58 -0.88 -0.14 0.00 -1.55 0.00 0.00 70.33 68.35 3ib6 n THR 12 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3ib6 h LEU 13 N 0.00 0.31 -8.64 1.09 3.38 -1.47 -3.45 115.31 106.53 3ib6 h LEU 13 Ca 0.00 -0.55 -0.28 0.00 0.09 0.00 0.00 57.88 57.14 3ib6 h LEU 13 Cb 0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.50 3ib6 h LEU 13 CO 0.00 1.48 -0.65 0.54 0.09 0.00 0.00 178.44 179.89 3ib6 s ASN 14 N -6.80 1.04 0.86 -0.43 4.22 -0.81 -1.07 114.94 111.94 3ib6 s ASN 14 Ca -0.12 -1.21 -0.12 0.00 -2.14 0.00 0.00 52.86 49.27 3ib6 s ASN 14 Cb 0.07 0.16 0.11 0.00 1.28 0.00 0.00 41.25 42.87 3ib6 s ASN 14 CO 0.82 -0.62 1.14 0.42 -2.04 0.00 0.00 177.10 176.82 3ib6 s THR 15 N -3.75 2.25 0.30 0.54 -4.23 0.78 0.81 115.64 112.35 3ib6 s THR 15 Ca 0.26 0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.95 3ib6 s THR 15 Cb 0.07 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 3ib6 s THR 15 CO 0.05 -0.11 -0.03 0.68 -0.54 0.00 0.00 174.62 174.67 3ib6 s VAL 16 N -3.32 2.97 0.85 2.29 -7.23 -1.26 -4.44 120.40 110.25 3ib6 s VAL 16 Ca 0.63 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 3ib6 s VAL 16 Cb -0.14 -2.73 0.08 0.00 0.56 0.00 0.00 36.38 34.15 3ib6 s VAL 16 CO 0.52 -0.31 1.01 -2.65 -0.31 0.00 0.00 175.10 173.36 3ib6 n PRO 17 N -0.87 -0.02 -0.09 4.82 -0.02 -1.26 -4.68 135.00 132.88 3ib6 n PRO 17 Ca -0.05 0.07 0.14 0.00 -2.02 0.00 0.00 63.50 61.63 3ib6 n PRO 17 Cb 0.60 -2.28 0.53 0.00 -0.02 0.00 0.00 33.50 32.33 3ib6 n PRO 17 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ib6 h ASN 18 N -1.17 0.32 0.69 2.55 2.35 -1.95 0.17 115.58 118.53 3ib6 h ASN 18 Ca -0.45 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3ib6 h ASN 18 Cb 1.30 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3ib6 h ASN 18 CO 0.43 0.18 0.00 0.35 -1.65 0.00 0.00 177.43 176.74 3ib6 n THR 19 N -4.46 0.18 -1.23 2.81 -2.24 -1.26 -4.89 114.28 103.18 3ib6 n THR 19 Ca 0.11 0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.85 3ib6 n THR 19 Cb 0.43 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 3ib6 n THR 19 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3ib6 n ARG 20 N -1.39 -1.49 -3.72 -0.78 0.00 0.58 -4.90 116.66 104.96 3ib6 n ARG 20 Ca 0.10 0.74 -0.12 0.00 -0.00 0.00 0.00 57.85 58.57 3ib6 n ARG 20 Cb 0.25 -5.00 -0.10 0.00 -0.00 0.00 0.00 32.46 27.61 3ib6 n ARG 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 3ib6 s TYR 21 N -1.83 -0.50 -1.03 2.89 5.04 -1.26 -4.92 117.35 115.74 3ib6 s TYR 21 Ca 0.00 1.14 -0.14 0.00 -2.44 0.00 0.00 57.07 55.63 3ib6 s TYR 21 Cb 0.00 0.19 0.20 0.00 0.35 0.00 0.00 41.96 42.70 3ib6 s TYR 21 CO 0.00 -0.26 1.14 0.16 -1.34 0.00 0.00 175.55 175.25 3ib6 s ASP 22 N 0.67 6.96 0.35 4.32 -4.77 -1.26 -4.78 116.67 118.17 3ib6 s ASP 22 Ca -0.04 -2.85 0.10 0.00 -3.30 0.00 0.00 52.55 46.46 3ib6 s ASP 22 Cb -0.05 -2.31 0.65 0.00 -1.09 0.00 0.00 42.92 40.12 3ib6 s ASP 22 CO -0.05 -0.67 1.81 0.45 0.70 0.00 0.00 175.17 177.42 3ib6 h HIS 23 N 7.57 0.18 -1.71 2.11 3.86 -1.97 -3.01 115.15 122.17 3ib6 h HIS 23 Ca 0.20 -0.03 -0.57 0.00 -1.16 0.00 0.00 60.37 58.80 3ib6 h HIS 23 Cb 0.95 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 29.28 3ib6 h HIS 23 CO 1.02 0.45 -0.54 -1.01 0.86 0.00 0.00 177.93 178.71 3ib6 s HIS 24 N -4.35 2.60 0.28 2.45 3.76 -1.26 -4.85 115.29 113.91 3ib6 s HIS 24 Ca -0.04 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.03 3ib6 s HIS 24 Cb 0.14 -1.79 -0.12 0.00 1.11 0.00 0.00 32.58 31.92 3ib6 s HIS 24 CO 0.74 0.30 1.52 -2.30 -0.85 0.00 0.00 174.74 174.16 3ib6 n PRO 25 N -1.13 2.48 -0.19 8.40 -0.02 -1.26 -4.76 135.00 138.51 3ib6 n PRO 25 Ca -0.02 0.88 0.22 0.00 -2.02 0.00 0.00 63.50 62.56 3ib6 n PRO 25 Cb 0.64 -2.61 0.61 0.00 -0.02 0.00 0.00 33.50 32.11 3ib6 n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ib6 h LEU 26 N 4.44 0.22 0.00 2.45 5.85 -1.91 0.50 115.31 126.86 3ib6 h LEU 26 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3ib6 h LEU 26 Cb 1.24 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3ib6 h LEU 26 CO 0.77 0.09 0.00 -0.90 -0.34 0.00 0.00 178.44 178.06 3ib6 n ASP 27 N -4.41 0.00 0.19 1.25 5.75 -1.26 -2.68 116.55 115.38 3ib6 n ASP 27 Ca 0.18 -0.18 0.12 0.00 -0.01 0.00 0.00 54.79 54.89 3ib6 n ASP 27 Cb 0.77 -0.23 0.16 0.00 -1.03 0.00 0.00 41.12 40.78 3ib6 n ASP 27 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3ib6 h THR 28 N 0.00 0.00 -3.49 2.12 1.35 -1.24 -3.46 112.91 108.19 3ib6 h THR 28 Ca 0.00 -0.94 -0.61 0.00 -0.55 0.00 0.00 66.41 64.30 3ib6 h THR 28 Cb 0.18 1.84 -0.12 0.00 -1.73 0.00 0.00 68.15 68.33 3ib6 h THR 28 CO 0.00 0.00 0.21 -0.31 -0.25 0.00 0.00 175.52 175.17 3ib6 s TYR 29 N -3.23 3.23 0.28 4.73 1.51 -1.09 -4.95 117.35 117.82 3ib6 s TYR 29 Ca 0.06 0.70 0.09 0.00 -1.01 0.00 0.00 57.07 56.91 3ib6 s TYR 29 Cb 0.07 -3.00 0.37 0.00 -0.11 0.00 0.00 41.96 39.29 3ib6 s TYR 29 CO 0.69 -0.45 1.63 -1.35 -1.11 0.00 0.00 175.55 174.95 3ib6 h PRO 30 N 8.08 0.07 0.00 -1.71 0.11 -1.90 -3.02 132.00 133.64 3ib6 h PRO 30 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ib6 h PRO 30 Cb 1.11 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ib6 h PRO 30 CO 0.81 0.63 0.00 1.05 -0.21 0.00 0.00 178.00 180.28 3ib6 h GLU 31 N 0.06 0.00 -6.33 1.05 9.09 -1.94 -3.40 114.58 113.10 3ib6 h GLU 31 Ca -0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 3ib6 h GLU 31 Cb 1.03 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.04 3ib6 h GLU 31 CO 0.08 0.00 0.81 0.08 0.05 0.00 0.00 179.01 180.03 3ib6 s VAL 32 N -3.70 4.19 0.21 -1.06 1.01 -1.14 -4.77 120.40 115.14 3ib6 s VAL 32 Ca -0.01 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 3ib6 s VAL 32 Cb 0.09 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 3ib6 s VAL 32 CO 0.34 -1.19 0.12 0.68 0.00 0.00 0.00 175.10 175.05 3ib6 s VAL 33 N 4.49 0.10 0.54 2.92 -7.23 -1.26 -4.93 120.40 115.03 3ib6 s VAL 33 Ca 0.39 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.35 3ib6 s VAL 33 Cb -0.09 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 3ib6 s VAL 33 CO 0.24 -0.02 1.30 0.18 -0.31 0.00 0.00 175.10 176.50 3ib6 n LEU 34 N -0.30 5.17 -4.94 1.32 4.77 -1.26 -0.15 117.00 121.60 3ib6 n LEU 34 Ca 0.01 0.97 -0.24 0.00 -0.03 0.00 0.00 56.01 56.72 3ib6 n LEU 34 Cb 0.66 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.22 3ib6 n LEU 34 CO 0.34 -0.76 0.38 -0.13 -1.33 0.00 0.00 177.39 175.89 3ib6 s ARG 35 N -2.81 2.99 -0.07 3.23 0.52 -0.24 -4.72 118.95 117.86 3ib6 s ARG 35 Ca 0.71 -0.32 -0.37 0.00 -0.52 0.00 0.00 55.73 55.24 3ib6 s ARG 35 Cb -0.43 -2.45 -0.14 0.00 0.52 0.00 0.00 34.95 32.45 3ib6 s ARG 35 CO 0.49 -0.44 1.67 1.17 0.02 0.00 0.00 175.30 178.21 3ib6 n LYS 36 N -2.27 1.64 -1.12 3.54 4.81 -1.26 -1.94 118.16 121.55 3ib6 n LYS 36 Ca 0.03 0.60 -0.04 0.00 -0.87 0.00 0.00 58.31 58.02 3ib6 n LYS 36 Cb 0.58 -2.34 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 3ib6 n LYS 36 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ib6 n ASN 37 N 4.81 -3.73 0.34 3.14 5.03 -1.26 -4.78 115.26 118.82 3ib6 n ASN 37 Ca 0.22 0.10 -0.16 0.00 0.87 0.00 0.00 54.58 55.61 3ib6 n ASN 37 Cb 0.22 -1.59 -0.08 0.00 -1.02 0.00 0.00 39.78 37.31 3ib6 n ASN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ib6 h ALA 38 N 0.00 -0.88 -0.48 5.41 0.00 -1.70 0.11 119.26 121.71 3ib6 h ALA 38 Ca -0.08 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ib6 h ALA 38 Cb 0.34 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3ib6 h ALA 38 CO 0.12 -0.91 0.04 0.87 0.00 0.00 0.00 179.25 179.38 3ib6 h LYS 39 N -1.06 0.15 0.04 0.00 1.57 -1.93 -1.27 116.57 114.07 3ib6 h LYS 39 Ca -0.09 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3ib6 h LYS 39 Cb 0.71 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3ib6 h LYS 39 CO 0.15 0.10 -0.09 1.49 -0.57 0.00 0.00 179.45 180.53 3ib6 h GLU 40 N 0.16 -0.16 -0.29 3.15 4.81 -1.95 -0.19 114.58 120.11 3ib6 h GLU 40 Ca 0.24 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3ib6 h GLU 40 Cb 0.35 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3ib6 h GLU 40 CO -0.37 -0.11 0.13 1.15 -0.73 0.00 0.00 179.01 179.09 3ib6 h THR 41 N -0.17 0.98 -0.58 0.32 2.02 -0.57 -0.48 112.91 114.43 3ib6 h THR 41 Ca 0.02 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.18 3ib6 h THR 41 Cb 0.19 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 3ib6 h THR 41 CO -0.06 0.05 0.25 -0.07 0.37 0.00 0.00 175.52 176.06 3ib6 h LEU 42 N 0.29 0.31 -0.63 2.58 3.38 -0.98 0.34 115.31 120.59 3ib6 h LEU 42 Ca 0.12 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3ib6 h LEU 42 Cb 0.05 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3ib6 h LEU 42 CO -0.09 0.20 0.20 -0.08 0.09 0.00 0.00 178.44 178.75 3ib6 h GLU 43 N 0.46 0.99 -0.59 1.13 4.57 -0.41 -0.88 114.58 119.85 3ib6 h GLU 43 Ca 0.28 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3ib6 h GLU 43 Cb 0.28 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3ib6 h GLU 43 CO -0.24 0.87 0.13 -0.22 -1.18 0.00 0.00 179.01 178.36 3ib6 h LYS 44 N 0.91 0.92 -0.40 1.92 3.64 -0.62 -0.58 116.57 122.36 3ib6 h LYS 44 Ca 0.20 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3ib6 h LYS 44 Cb 0.29 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3ib6 h LYS 44 CO -0.01 0.83 0.04 0.28 -2.27 0.00 0.00 179.45 178.33 3ib6 h VAL 45 N 0.88 1.25 -0.38 2.00 2.07 -0.45 -0.77 116.25 120.84 3ib6 h VAL 45 Ca 0.19 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3ib6 h VAL 45 Cb 0.34 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ib6 h VAL 45 CO 0.00 0.32 0.24 0.50 0.02 0.00 0.00 177.57 178.65 3ib6 h LYS 46 N 0.52 0.48 0.00 1.57 3.64 -0.88 -2.49 116.57 119.42 3ib6 h LYS 46 Ca 0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3ib6 h LYS 46 Cb 0.41 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3ib6 h LYS 46 CO 0.01 0.32 -0.10 1.96 -2.27 0.00 0.00 179.45 179.37 3ib6 h GLN 47 N 0.50 0.00 0.00 1.90 4.20 -0.92 0.24 115.11 121.02 3ib6 h GLN 47 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3ib6 h GLN 47 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3ib6 h GLN 47 CO -0.04 0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.50 3ib6 n LEU 48 N -3.41 0.00 0.00 1.46 4.77 -0.31 -4.90 117.00 114.61 3ib6 n LEU 48 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3ib6 n LEU 48 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3ib6 n LEU 48 CO 0.29 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3ib6 n GLY 49 N 0.72 0.72 3.85 -0.72 0.00 0.83 -5.05 105.19 105.54 3ib6 n GLY 49 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3ib6 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ib6 s PHE 50 N -2.03 3.38 0.15 1.61 0.40 -1.08 -4.99 117.98 115.42 3ib6 s PHE 50 Ca 0.00 1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 57.50 3ib6 s PHE 50 Cb 0.00 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 3ib6 s PHE 50 CO 0.00 0.09 0.36 0.15 0.70 0.00 0.00 175.22 176.51 3ib6 s LYS 51 N -3.03 3.55 0.22 0.44 -0.14 0.17 -4.48 119.74 116.47 3ib6 s LYS 51 Ca 0.54 -0.24 0.08 0.00 -1.36 0.00 0.00 55.97 54.98 3ib6 s LYS 51 Cb -0.10 -2.87 -0.05 0.00 -1.68 0.00 0.00 37.83 33.12 3ib6 s LYS 51 CO 0.18 0.46 -0.13 -0.65 -0.76 0.00 0.00 175.35 174.46 3ib6 s GLN 52 N -2.88 1.38 0.19 1.68 -0.21 -1.25 -0.77 119.66 117.79 3ib6 s GLN 52 Ca 0.39 -1.63 -0.16 0.00 0.02 0.00 0.00 55.36 53.98 3ib6 s GLN 52 Cb -0.12 -1.13 0.02 0.00 1.00 0.00 0.00 33.01 32.78 3ib6 s GLN 52 CO 0.27 0.16 0.48 0.00 -2.12 0.00 0.00 175.29 174.07 3ib6 s ALA 53 N -2.98 -0.74 -0.09 6.09 0.00 -0.47 -1.78 121.76 121.80 3ib6 s ALA 53 Ca 0.24 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3ib6 s ALA 53 Cb 0.00 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.98 3ib6 s ALA 53 CO 0.08 -0.77 -0.18 0.42 0.00 0.00 0.00 175.76 175.30 3ib6 s ILE 54 N -3.90 1.63 -0.20 0.00 -1.09 -0.54 -1.06 121.20 116.04 3ib6 s ILE 54 Ca 0.11 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.75 3ib6 s ILE 54 Cb -0.00 -1.44 0.06 0.00 -1.58 0.00 0.00 42.46 39.50 3ib6 s ILE 54 CO -0.02 0.46 0.02 -0.22 -1.23 0.00 0.00 174.94 173.95 3ib6 s LEU 55 N 0.59 1.43 -0.02 2.97 2.96 -0.27 -1.09 118.68 125.25 3ib6 s LEU 55 Ca -0.15 -0.86 0.01 0.00 -0.22 0.00 0.00 54.13 52.91 3ib6 s LEU 55 Cb -0.17 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.82 3ib6 s LEU 55 CO 0.05 -0.29 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.20 3ib6 s SER 56 N 1.77 0.62 -0.07 3.68 0.15 -0.57 -4.11 113.70 115.17 3ib6 s SER 56 Ca -0.02 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 3ib6 s SER 56 Cb -0.17 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 3ib6 s SER 56 CO -0.08 0.01 1.10 0.20 1.20 0.00 0.00 173.24 175.68 3ib6 s ASN 57 N 0.31 7.16 0.27 5.45 0.01 -1.26 -0.97 114.94 125.91 3ib6 s ASN 57 Ca -0.03 1.70 0.05 0.00 -0.71 0.00 0.00 52.86 53.86 3ib6 s ASN 57 Cb -0.07 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 38.98 3ib6 s ASN 57 CO -0.00 -0.50 -0.01 0.42 -1.51 0.00 0.00 177.10 175.50 3ib6 s THR 58 N 1.98 1.28 -0.19 1.60 -4.23 -1.26 -4.81 115.64 110.01 3ib6 s THR 58 Ca 0.53 -2.06 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 3ib6 s THR 58 Cb -0.22 -2.48 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 3ib6 s THR 58 CO 0.21 -0.24 -0.09 0.00 -0.54 0.00 0.00 174.62 173.96 3ib6 n ALA 59 N -0.54 0.71 0.09 3.99 0.00 -1.26 -1.04 120.51 122.46 3ib6 n ALA 59 Ca -0.05 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.85 3ib6 n ALA 59 Cb 0.64 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3ib6 n ALA 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ib6 n THR 60 N -4.49 0.00 -3.82 0.00 -1.04 -1.14 -0.76 114.28 103.03 3ib6 n THR 60 Ca -0.22 -0.21 -0.36 0.00 -2.04 0.00 0.00 64.05 61.22 3ib6 n THR 60 Cb 0.51 0.58 -0.11 0.00 -1.82 0.00 0.00 70.33 69.49 3ib6 n THR 60 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3ib6 s SER 61 N -2.31 5.55 0.71 8.00 0.01 -1.26 -4.80 113.70 119.60 3ib6 s SER 61 Ca -0.01 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.23 3ib6 s SER 61 Cb 0.04 -1.99 0.13 0.00 0.21 0.00 0.00 66.02 64.42 3ib6 s SER 61 CO 0.24 0.05 0.96 -0.90 0.41 0.00 0.00 173.24 174.00 3ib6 n ASP 62 N 4.36 1.47 -0.09 2.44 5.68 -1.26 -3.64 116.55 125.51 3ib6 n ASP 62 Ca -0.16 -2.20 0.05 0.00 -0.50 0.00 0.00 54.79 51.98 3ib6 n ASP 62 Cb 0.52 -0.60 0.38 0.00 -1.14 0.00 0.00 41.12 40.28 3ib6 n ASP 62 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3ib6 h THR 63 N -0.48 1.08 -0.40 2.12 2.02 -1.92 -1.50 112.91 113.83 3ib6 h THR 63 Ca -0.32 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.49 3ib6 h THR 63 Cb 1.22 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3ib6 h THR 63 CO 0.36 0.12 -0.32 -0.33 0.37 0.00 0.00 175.52 175.72 3ib6 h GLU 64 N 0.67 0.89 -0.26 6.66 4.39 -1.96 -0.69 114.58 124.29 3ib6 h GLU 64 Ca 0.22 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3ib6 h GLU 64 Cb 0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3ib6 h GLU 64 CO -0.06 1.07 0.17 0.28 -1.16 0.00 0.00 179.01 179.32 3ib6 h VAL 65 N 0.74 1.07 -0.57 3.13 2.07 -1.68 -2.69 116.25 118.33 3ib6 h VAL 65 Ca 0.08 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3ib6 h VAL 65 Cb 0.89 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3ib6 h VAL 65 CO 0.08 0.06 0.12 0.40 0.02 0.00 0.00 177.57 178.26 3ib6 h ILE 66 N 0.35 1.24 -0.80 4.57 5.03 -1.12 -1.84 117.51 124.94 3ib6 h ILE 66 Ca 0.09 -0.88 0.08 0.00 -0.12 0.00 0.00 64.86 64.04 3ib6 h ILE 66 Cb -0.04 0.67 -0.05 0.00 -3.03 0.00 0.00 36.82 34.37 3ib6 h ILE 66 CO -0.02 0.33 0.52 0.11 -0.68 0.00 0.00 178.15 178.41 3ib6 h LYS 67 N 0.85 0.78 -0.27 2.37 1.57 -1.00 -1.40 116.57 119.48 3ib6 h LYS 67 Ca 0.18 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3ib6 h LYS 67 Cb 0.33 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3ib6 h LYS 67 CO 0.00 0.52 -0.38 -0.09 -0.57 0.00 0.00 179.45 178.93 3ib6 h ARG 68 N 0.80 0.61 0.35 3.15 2.43 -1.02 -1.55 114.38 119.16 3ib6 h ARG 68 Ca 0.36 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3ib6 h ARG 68 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3ib6 h ARG 68 CO -0.13 0.89 -0.17 0.28 -1.51 0.00 0.00 179.97 179.33 3ib6 h VAL 69 N 0.51 0.51 -0.93 0.20 2.07 -0.70 -1.00 116.25 116.91 3ib6 h VAL 69 Ca 0.05 -0.68 0.23 0.00 0.82 0.00 0.00 66.70 67.12 3ib6 h VAL 69 Cb 0.88 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3ib6 h VAL 69 CO 0.08 0.10 0.63 -0.07 0.02 0.00 0.00 177.57 178.33 3ib6 h LEU 70 N -0.92 0.30 -0.09 2.57 3.38 -1.33 0.39 115.31 119.60 3ib6 h LEU 70 Ca -0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ib6 h LEU 70 Cb 0.53 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ib6 h LEU 70 CO 0.08 0.10 0.01 0.74 0.09 0.00 0.00 178.44 179.46 3ib6 h THR 71 N 0.29 1.22 0.00 0.22 2.02 -1.19 -0.71 112.91 114.76 3ib6 h THR 71 Ca 0.48 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3ib6 h THR 71 Cb 1.40 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3ib6 h THR 71 CO -0.15 0.20 -0.07 0.78 0.37 0.00 0.00 175.52 176.65 3ib6 h ASN 72 N -0.09 0.00 1.46 4.18 -0.26 0.96 -2.36 115.58 119.46 3ib6 h ASN 72 Ca 0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.68 3ib6 h ASN 72 Cb 0.30 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 3ib6 h ASN 72 CO 0.00 0.07 -0.42 -0.26 -1.06 0.00 0.00 177.43 175.77 3ib6 h PHE 73 N 0.00 0.00 0.00 1.19 0.04 -0.27 -3.48 116.94 114.42 3ib6 h PHE 73 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ib6 h PHE 73 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3ib6 h PHE 73 CO 0.00 0.42 0.00 0.41 -0.60 0.00 0.00 178.31 178.54 3ib6 n GLY 74 N 1.05 0.82 0.10 -1.45 0.00 -0.89 -4.98 105.19 99.85 3ib6 n GLY 74 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3ib6 n GLY 74 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ib6 n ILE 75 N -2.08 0.00 -0.33 -0.61 -5.35 -0.34 -4.72 119.36 105.93 3ib6 n ILE 75 Ca 0.00 -0.50 0.17 0.00 -0.27 0.00 0.00 62.75 62.15 3ib6 n ILE 75 Cb 0.00 1.05 0.40 0.00 -1.74 0.00 0.00 39.64 39.36 3ib6 n ILE 75 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 3ib6 h ILE 76 N 0.48 0.63 0.00 7.28 -0.00 -1.69 -1.98 117.51 122.24 3ib6 h ILE 76 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 3ib6 h ILE 76 Cb 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 36.82 36.91 3ib6 h ILE 76 CO 0.00 0.11 0.00 0.47 -0.00 0.00 0.00 178.15 178.73 3ib6 n ASP 77 N -4.72 0.00 0.11 2.19 8.00 -1.26 -2.44 116.55 118.44 3ib6 n ASP 77 Ca 0.24 0.09 0.13 0.00 0.71 0.00 0.00 54.79 55.96 3ib6 n ASP 77 Cb 0.69 -0.33 0.42 0.00 -0.02 0.00 0.00 41.12 41.88 3ib6 n ASP 77 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ib6 n TYR 78 N -1.33 0.96 -4.43 1.24 4.02 -0.74 -4.89 117.16 111.99 3ib6 n TYR 78 Ca 0.09 0.29 -0.34 0.00 -0.01 0.00 0.00 57.90 57.94 3ib6 n TYR 78 Cb 0.18 -0.98 -0.14 0.00 -0.02 0.00 0.00 39.34 38.39 3ib6 n TYR 78 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3ib6 s PHE 79 N -3.15 2.90 -0.27 -0.72 0.08 -1.02 -3.94 117.98 111.86 3ib6 s PHE 79 Ca 0.09 -0.69 0.20 0.00 0.12 0.00 0.00 56.93 56.66 3ib6 s PHE 79 Cb 0.12 -1.95 0.09 0.00 -0.57 0.00 0.00 43.02 40.71 3ib6 s PHE 79 CO 0.56 -0.29 1.25 -0.44 -0.10 0.00 0.00 175.22 176.20 3ib6 h ASP 80 N 7.15 0.00 -4.34 1.36 5.19 -1.68 -3.46 116.42 120.64 3ib6 h ASP 80 Ca -0.32 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.92 3ib6 h ASP 80 Cb 1.19 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.46 3ib6 h ASP 80 CO 0.59 0.18 -0.54 0.12 -3.12 0.00 0.00 179.24 176.47 3ib6 s PHE 81 N -3.17 -0.05 -0.12 4.55 5.36 -1.26 -5.06 117.98 118.23 3ib6 s PHE 81 Ca 0.02 0.11 -0.06 0.00 -0.96 0.00 0.00 56.93 56.04 3ib6 s PHE 81 Cb 0.08 -0.00 0.05 0.00 -0.34 0.00 0.00 43.02 42.80 3ib6 s PHE 81 CO 0.75 -0.17 0.27 0.42 -1.46 0.00 0.00 175.22 175.03 3ib6 s ILE 82 N -0.61 -0.04 -0.13 3.12 1.01 -1.26 -1.46 121.20 121.83 3ib6 s ILE 82 Ca -0.07 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 3ib6 s ILE 82 Cb -0.04 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 42.05 3ib6 s ILE 82 CO 0.01 0.06 0.33 -0.47 0.00 0.00 0.00 174.94 174.86 3ib6 s TYR 83 N 1.29 -0.41 -0.05 3.97 5.04 -0.25 -4.93 117.35 122.00 3ib6 s TYR 83 Ca -0.09 0.95 0.05 0.00 -2.44 0.00 0.00 57.07 55.54 3ib6 s TYR 83 Cb -0.10 0.14 -0.01 0.00 0.35 0.00 0.00 41.96 42.34 3ib6 s TYR 83 CO -0.09 -0.22 -0.21 0.00 -1.34 0.00 0.00 175.55 173.68 3ib6 s ALA 84 N 0.69 1.84 0.30 3.97 0.00 -1.26 -1.52 121.76 125.78 3ib6 s ALA 84 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3ib6 s ALA 84 Cb -0.05 -0.58 0.47 0.00 0.00 0.00 0.00 23.12 22.95 3ib6 s ALA 84 CO -0.04 0.35 1.86 0.66 0.00 0.00 0.00 175.76 178.59 3ib6 h SER 85 N 6.14 0.71 -6.17 0.00 4.64 -1.29 -3.41 113.55 114.17 3ib6 h SER 85 Ca -0.32 -0.11 -0.44 0.00 -0.47 0.00 0.00 61.79 60.45 3ib6 h SER 85 Cb 1.17 -0.19 0.03 0.00 -0.31 0.00 0.00 62.40 63.11 3ib6 h SER 85 CO 0.47 0.69 -0.83 -3.20 -0.87 0.00 0.00 176.83 173.09 3ib6 n ASN 86 N -4.30 -1.38 0.29 4.97 4.05 -1.15 -4.72 115.26 113.02 3ib6 n ASN 86 Ca 0.04 -0.84 0.19 0.00 0.45 0.00 0.00 54.58 54.42 3ib6 n ASN 86 Cb 0.20 -3.90 0.91 0.00 1.23 0.00 0.00 39.78 38.22 3ib6 n ASN 86 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3ib6 h SER 87 N -1.88 0.00 0.66 1.20 0.02 -0.68 -1.80 113.55 111.07 3ib6 h SER 87 Ca -0.61 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.07 3ib6 h SER 87 Cb 1.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 3ib6 h SER 87 CO 0.58 0.00 -1.31 -0.33 -1.14 0.00 0.00 176.83 174.64 3ib6 h GLU 88 N 0.00 0.17 0.00 3.45 5.08 -1.19 -3.41 114.58 118.68 3ib6 h GLU 88 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3ib6 h GLU 88 Cb 0.24 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ib6 h GLU 88 CO 0.00 1.07 -1.20 1.28 -1.00 0.00 0.00 179.01 179.16 3ib6 n LEU 89 N -3.42 0.29 -4.45 1.33 4.77 -0.90 -4.94 117.00 109.69 3ib6 n LEU 89 Ca -0.09 -0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 3ib6 n LEU 89 Cb 1.01 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.99 3ib6 n LEU 89 CO 0.50 0.07 -0.12 -1.58 -1.33 0.00 0.00 177.39 174.94 3ib6 s GLN 90 N -2.68 3.08 0.27 3.23 2.00 -0.73 -5.06 119.66 119.78 3ib6 s GLN 90 Ca -0.01 -0.93 -0.30 0.00 -2.00 0.00 0.00 55.36 52.12 3ib6 s GLN 90 Cb 0.10 -3.84 -0.12 0.00 0.80 0.00 0.00 33.01 29.94 3ib6 s GLN 90 CO 0.58 -0.64 1.61 -2.30 -0.50 0.00 0.00 175.29 174.04 3ib6 n PRO 91 N 5.09 2.68 -3.16 1.67 -0.02 -1.26 -3.16 135.00 136.84 3ib6 n PRO 91 Ca -0.12 0.96 -0.14 0.00 -2.02 0.00 0.00 63.50 62.18 3ib6 n PRO 91 Cb 0.48 -2.75 0.07 0.00 -0.02 0.00 0.00 33.50 31.28 3ib6 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ib6 n GLY 92 N 2.49 -0.87 3.72 -1.23 0.00 -1.26 -4.95 105.19 103.09 3ib6 n GLY 92 Ca 0.10 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 3ib6 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ib6 s LYS 93 N -4.48 4.61 -0.00 1.61 1.02 -1.19 -5.06 119.74 116.24 3ib6 s LYS 93 Ca 0.34 1.49 -0.10 0.00 0.02 0.00 0.00 55.97 57.72 3ib6 s LYS 93 Cb -0.04 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 3ib6 s LYS 93 CO 0.68 0.05 0.32 0.00 -0.92 0.00 0.00 175.35 175.48 3ib6 s MET 94 N 0.49 3.70 0.04 1.68 0.23 -1.26 -5.10 119.30 119.08 3ib6 s MET 94 Ca 0.50 0.13 -0.08 0.00 -1.03 0.00 0.00 55.69 55.21 3ib6 s MET 94 Cb -0.23 -3.13 -0.00 0.00 -1.53 0.00 0.00 34.83 29.94 3ib6 s MET 94 CO 0.29 0.67 0.16 -1.83 -2.03 0.00 0.00 175.02 172.28 3ib6 s GLU 95 N -1.44 0.65 0.44 3.16 -1.05 -1.26 -4.65 118.70 114.55 3ib6 s GLU 95 Ca 0.25 -0.67 -0.26 0.00 -0.15 0.00 0.00 54.97 54.14 3ib6 s GLU 95 Cb -0.14 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.72 3ib6 s GLU 95 CO 0.13 -0.18 1.41 1.63 0.95 0.00 0.00 175.26 179.20 3ib6 n LYS 96 N 0.72 2.23 -0.27 -4.83 5.02 -1.26 -1.46 118.16 118.32 3ib6 n LYS 96 Ca -0.19 0.79 0.06 0.00 -2.02 0.00 0.00 58.31 56.96 3ib6 n LYS 96 Cb 0.59 -2.59 0.19 0.00 -0.02 0.00 0.00 35.03 33.20 3ib6 n LYS 96 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ib6 n PRO 97 N -0.08 2.19 -1.97 1.97 -0.04 -1.26 -4.85 135.00 130.96 3ib6 n PRO 97 Ca 0.05 -1.54 -0.41 0.00 -0.04 0.00 0.00 63.50 61.56 3ib6 n PRO 97 Cb 0.41 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3ib6 n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ib6 s ASP 98 N -0.89 6.57 0.35 3.54 -0.00 -0.54 -4.46 116.67 121.25 3ib6 s ASP 98 Ca 0.28 2.86 0.11 0.00 -0.00 0.00 0.00 52.55 55.80 3ib6 s ASP 98 Cb 0.16 -2.66 0.88 0.00 -0.00 0.00 0.00 42.92 41.31 3ib6 s ASP 98 CO 0.17 -0.69 1.81 0.07 -0.00 0.00 0.00 175.17 176.53 3ib6 h LYS 99 N 3.21 0.60 -0.33 8.23 5.09 -1.90 -2.73 116.57 128.74 3ib6 h LYS 99 Ca -0.50 -0.04 0.07 0.00 0.09 0.00 0.00 60.65 60.28 3ib6 h LYS 99 Cb 1.23 -0.14 -0.07 0.00 0.10 0.00 0.00 32.23 33.35 3ib6 h LYS 99 CO 0.65 0.40 -0.16 1.15 -2.09 0.00 0.00 179.45 179.40 3ib6 h THR 100 N 0.62 0.51 -0.36 0.07 2.02 -1.91 0.21 112.91 114.07 3ib6 h THR 100 Ca 0.54 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.65 3ib6 h THR 100 Cb 1.02 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3ib6 h THR 100 CO -0.29 0.00 -0.06 -0.29 0.37 0.00 0.00 175.52 175.25 3ib6 h ILE 101 N -0.10 1.23 -0.19 3.11 2.10 -1.76 -1.05 117.51 120.84 3ib6 h ILE 101 Ca 0.17 -0.97 -0.13 0.00 1.08 0.00 0.00 64.86 65.02 3ib6 h ILE 101 Cb 0.36 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 3ib6 h ILE 101 CO -0.40 0.33 -0.38 -0.26 -1.08 0.00 0.00 178.15 176.36 3ib6 h PHE 102 N 0.56 0.74 -0.41 2.19 -1.00 -1.28 -1.75 116.94 116.00 3ib6 h PHE 102 Ca 0.11 -0.27 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 3ib6 h PHE 102 Cb 0.45 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 3ib6 h PHE 102 CO 0.02 1.02 0.09 -0.44 -1.61 0.00 0.00 178.31 177.39 3ib6 h ASP 103 N 0.25 0.56 -0.44 2.17 3.32 -0.47 -1.85 116.42 119.96 3ib6 h ASP 103 Ca 0.01 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3ib6 h ASP 103 Cb 0.97 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3ib6 h ASP 103 CO 0.08 0.56 0.09 0.15 -1.72 0.00 0.00 179.24 178.40 3ib6 h PHE 104 N 0.59 0.75 -0.35 4.55 3.57 -1.16 -0.94 116.94 123.95 3ib6 h PHE 104 Ca 0.14 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3ib6 h PHE 104 Cb 0.23 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3ib6 h PHE 104 CO 0.01 0.71 0.12 1.15 -2.23 0.00 0.00 178.31 178.07 3ib6 h THR 105 N 0.58 1.21 -0.84 4.41 2.02 -0.84 -1.88 112.91 117.56 3ib6 h THR 105 Ca 0.13 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 3ib6 h THR 105 Cb 0.35 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3ib6 h THR 105 CO 0.01 0.23 0.46 -0.07 0.37 0.00 0.00 175.52 176.51 3ib6 h LEU 106 N 0.42 1.05 -0.37 2.58 3.38 -1.33 -0.99 115.31 120.04 3ib6 h LEU 106 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ib6 h LEU 106 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ib6 h LEU 106 CO -0.00 0.84 0.21 -1.13 0.09 0.00 0.00 178.44 178.44 3ib6 h ASN 107 N 1.17 0.47 -0.47 -0.43 -1.24 -1.01 -0.96 115.58 113.11 3ib6 h ASN 107 Ca 0.30 -0.09 -0.08 0.00 0.71 0.00 0.00 56.30 57.14 3ib6 h ASN 107 Cb 0.03 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 3ib6 h ASN 107 CO -0.05 0.42 -0.00 0.00 -1.29 0.00 0.00 177.43 176.51 3ib6 h ALA 108 N 1.07 1.01 0.00 1.57 0.00 -0.86 -1.86 119.26 120.19 3ib6 h ALA 108 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ib6 h ALA 108 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ib6 h ALA 108 CO -0.02 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 3ib6 h LEU 109 N 0.82 0.00 -1.36 0.00 3.38 -1.15 -3.47 115.31 113.53 3ib6 h LEU 109 Ca 0.15 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.83 3ib6 h LEU 109 Cb 0.49 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.37 3ib6 h LEU 109 CO 0.02 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.94 3ib6 n GLN 110 N -2.36 -5.99 -4.38 1.13 1.13 -0.42 -5.02 117.38 101.47 3ib6 n GLN 110 Ca 0.04 0.70 -0.19 0.00 -1.94 0.00 0.00 57.00 55.62 3ib6 n GLN 110 Cb 0.39 -5.31 -0.10 0.00 0.11 0.00 0.00 30.24 25.32 3ib6 n GLN 110 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3ib6 s ILE 111 N -3.29 0.89 0.28 5.09 -4.36 -0.89 -5.05 121.20 113.87 3ib6 s ILE 111 Ca 0.20 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.54 3ib6 s ILE 111 Cb -0.09 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 3ib6 s ILE 111 CO 0.61 -0.03 0.55 -0.62 0.24 0.00 0.00 174.94 175.68 3ib6 s ASP 112 N -3.39 6.47 0.34 4.36 -1.08 -1.26 -4.58 116.67 117.52 3ib6 s ASP 112 Ca 0.36 0.73 0.05 0.00 -0.52 0.00 0.00 52.55 53.18 3ib6 s ASP 112 Cb 0.08 -2.15 0.68 0.00 -1.46 0.00 0.00 42.92 40.07 3ib6 s ASP 112 CO 0.14 -0.17 1.91 0.07 0.52 0.00 0.00 175.17 177.64 3ib6 h LYS 113 N 1.81 0.81 0.00 4.34 2.10 -1.91 0.22 116.57 123.94 3ib6 h LYS 113 Ca -0.47 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3ib6 h LYS 113 Cb 1.19 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3ib6 h LYS 113 CO 0.67 0.54 0.00 0.25 -2.00 0.00 0.00 179.45 178.91 3ib6 n THR 114 N -4.51 0.97 0.35 0.07 -2.24 -1.26 -3.02 114.28 104.63 3ib6 n THR 114 Ca 0.14 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.27 3ib6 n THR 114 Cb 0.30 -1.06 0.17 0.00 -2.10 0.00 0.00 70.33 67.64 3ib6 n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ib6 n GLU 115 N -1.38 2.27 -4.43 -0.78 1.02 0.06 -4.69 120.64 112.72 3ib6 n GLU 115 Ca 0.04 -2.09 -0.24 0.00 -0.02 0.00 0.00 57.16 54.85 3ib6 n GLU 115 Cb 0.10 -1.44 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 3ib6 n GLU 115 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ib6 s ALA 116 N -1.42 2.54 -0.02 0.62 0.00 -1.17 -1.31 121.76 121.01 3ib6 s ALA 116 Ca 0.33 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.56 3ib6 s ALA 116 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 3ib6 s ALA 116 CO 0.28 0.29 -0.09 0.54 0.00 0.00 0.00 175.76 176.78 3ib6 s VAL 117 N -2.29 0.76 -0.13 0.00 0.11 0.23 -3.94 120.40 115.13 3ib6 s VAL 117 Ca 0.25 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 58.83 3ib6 s VAL 117 Cb -0.05 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 3ib6 s VAL 117 CO 0.12 0.23 0.20 -0.32 -3.33 0.00 0.00 175.10 171.99 3ib6 s MET 118 N -0.02 3.78 -0.08 1.54 1.75 -0.24 0.30 119.30 126.32 3ib6 s MET 118 Ca 0.00 -0.04 0.02 0.00 -1.25 0.00 0.00 55.69 54.42 3ib6 s MET 118 Cb -0.06 -3.28 0.02 0.00 2.84 0.00 0.00 34.83 34.35 3ib6 s MET 118 CO -0.00 0.59 -0.12 0.08 -0.65 0.00 0.00 175.02 174.92 3ib6 s VAL 119 N -0.53 1.17 0.08 10.11 1.01 0.23 0.03 120.40 132.50 3ib6 s VAL 119 Ca 0.15 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 3ib6 s VAL 119 Cb -0.13 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.22 3ib6 s VAL 119 CO 0.04 0.37 0.85 0.61 0.00 0.00 0.00 175.10 176.97 3ib6 n GLY 120 N 4.11 0.59 0.00 4.51 0.00 -0.68 -1.85 105.19 111.88 3ib6 n GLY 120 Ca -0.20 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.80 3ib6 n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ib6 n ASN 121 N -1.01 3.03 -4.50 1.61 6.94 -1.26 -1.74 115.26 118.32 3ib6 n ASN 121 Ca 0.00 -0.08 -0.40 0.00 -0.02 0.00 0.00 54.58 54.08 3ib6 n ASN 121 Cb 0.44 1.28 -0.11 0.00 -2.36 0.00 0.00 39.78 39.03 3ib6 n ASN 121 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ib6 s THR 122 N -2.37 5.13 0.09 5.53 2.01 -1.26 -0.69 115.64 124.07 3ib6 s THR 122 Ca -0.02 -0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.46 3ib6 s THR 122 Cb 0.05 -3.65 -0.14 0.00 0.01 0.00 0.00 72.50 68.77 3ib6 s THR 122 CO 0.29 -0.01 1.71 0.15 -0.69 0.00 0.00 174.62 176.06 3ib6 h PHE 123 N 8.47 0.05 0.00 4.92 3.57 -1.03 0.42 116.94 133.33 3ib6 h PHE 123 Ca -0.31 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 3ib6 h PHE 123 Cb 1.15 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 3ib6 h PHE 123 CO 0.65 0.07 -0.04 0.93 -2.23 0.00 0.00 178.31 177.69 3ib6 h GLU 124 N 0.01 0.00 0.00 1.11 3.07 -1.93 -0.87 114.58 115.97 3ib6 h GLU 124 Ca 0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 3ib6 h GLU 124 Cb 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3ib6 h GLU 124 CO -0.00 0.04 -1.21 -1.13 -1.40 0.00 0.00 179.01 175.31 3ib6 n SER 125 N -3.17 1.06 -0.03 1.42 3.41 -1.17 -4.37 113.62 110.78 3ib6 n SER 125 Ca 0.00 0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 3ib6 n SER 125 Cb 0.30 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 3ib6 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ib6 h ASP 126 N -0.42 0.12 0.02 4.04 3.32 -1.05 -3.07 116.42 119.37 3ib6 h ASP 126 Ca -0.19 -0.62 -0.10 0.00 0.02 0.00 0.00 57.03 56.13 3ib6 h ASP 126 Cb 0.96 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3ib6 h ASP 126 CO -0.12 0.72 -0.53 0.40 -1.72 0.00 0.00 179.24 177.99 3ib6 h ILE 127 N -0.48 1.46 -0.16 0.35 1.08 -1.35 -2.17 117.51 116.25 3ib6 h ILE 127 Ca -0.00 -2.32 -0.07 0.00 -0.39 0.00 0.00 64.86 62.08 3ib6 h ILE 127 Cb 0.71 2.99 -0.01 0.00 -3.07 0.00 0.00 36.82 37.44 3ib6 h ILE 127 CO 0.02 0.54 -0.22 -0.29 -0.69 0.00 0.00 178.15 177.51 3ib6 h ILE 128 N -0.90 1.23 -0.18 -0.67 6.09 -1.36 -1.47 117.51 120.24 3ib6 h ILE 128 Ca -0.14 -1.05 -0.06 0.00 -1.37 0.00 0.00 64.86 62.25 3ib6 h ILE 128 Cb 1.19 1.35 -0.00 0.00 0.47 0.00 0.00 36.82 39.83 3ib6 h ILE 128 CO -0.05 0.32 -0.11 1.23 -3.07 0.00 0.00 178.15 176.47 3ib6 h GLY 129 N 0.92 0.44 1.04 8.18 0.00 -1.61 0.41 103.07 112.45 3ib6 h GLY 129 Ca 0.04 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3ib6 h GLY 129 CO 0.04 0.37 0.20 0.00 0.00 0.00 0.00 176.54 177.15 3ib6 h ALA 130 N 0.67 0.91 -0.63 3.60 0.00 -1.21 -0.48 119.26 122.13 3ib6 h ALA 130 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3ib6 h ALA 130 Cb 0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ib6 h ALA 130 CO 0.03 0.60 0.15 -0.97 0.00 0.00 0.00 179.25 179.07 3ib6 h ASN 131 N 1.03 0.95 0.68 0.00 -0.73 -1.07 0.17 115.58 116.61 3ib6 h ASN 131 Ca 0.22 -0.23 -0.13 0.00 1.87 0.00 0.00 56.30 58.03 3ib6 h ASN 131 Cb 0.32 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 3ib6 h ASN 131 CO -0.00 0.94 -0.60 0.03 -0.37 0.00 0.00 177.43 177.42 3ib6 h ARG 132 N 0.92 0.00 -0.03 6.67 3.08 -0.64 -2.28 114.38 122.10 3ib6 h ARG 132 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3ib6 h ARG 132 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3ib6 h ARG 132 CO 0.00 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.50 3ib6 n ALA 133 N -2.40 2.62 -1.10 0.04 0.00 -0.21 -4.91 120.51 114.55 3ib6 n ALA 133 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3ib6 n ALA 133 Cb 0.62 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3ib6 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ib6 n GLY 134 N 0.96 0.39 3.58 0.00 0.00 -0.63 -4.93 105.19 104.56 3ib6 n GLY 134 Ca 0.18 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 3ib6 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ib6 s ILE 135 N -2.00 4.10 0.77 -0.61 1.01 0.49 -4.27 121.20 120.69 3ib6 s ILE 135 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3ib6 s ILE 135 Cb 0.00 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.76 3ib6 s ILE 135 CO 0.00 0.54 1.17 1.41 0.00 0.00 0.00 174.94 178.06 3ib6 n HIS 136 N 2.93 1.28 -4.06 3.97 8.25 -1.25 -3.57 115.22 122.77 3ib6 n HIS 136 Ca -0.18 0.41 -0.13 0.00 -0.26 0.00 0.00 57.72 57.56 3ib6 n HIS 136 Cb 0.53 -2.13 -0.12 0.00 1.12 0.00 0.00 29.99 29.39 3ib6 n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ib6 s ALA 137 N -1.94 0.43 -0.20 -1.41 0.00 0.11 -1.08 121.76 117.67 3ib6 s ALA 137 Ca 0.75 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 3ib6 s ALA 137 Cb -0.32 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 3ib6 s ALA 137 CO 0.49 -0.02 -0.07 0.42 0.00 0.00 0.00 175.76 176.58 3ib6 s ILE 138 N -1.05 3.20 -0.29 0.00 1.01 0.10 -0.76 121.20 123.41 3ib6 s ILE 138 Ca -0.08 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 3ib6 s ILE 138 Cb -0.08 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.00 3ib6 s ILE 138 CO 0.00 0.45 0.02 0.86 0.00 0.00 0.00 174.94 176.27 3ib6 s TRP 139 N 1.23 3.17 0.25 3.97 -0.00 -0.83 -1.68 118.94 125.06 3ib6 s TRP 139 Ca 0.03 -1.49 -0.30 0.00 -0.00 0.00 0.00 56.10 54.34 3ib6 s TRP 139 Cb -0.14 -2.15 -0.10 0.00 -0.00 0.00 0.00 33.47 31.07 3ib6 s TRP 139 CO -0.03 -0.72 1.43 -0.51 -0.00 0.00 0.00 176.95 177.13 3ib6 s LEU 140 N 1.36 4.39 -0.01 5.86 1.43 -0.71 -2.32 118.68 128.68 3ib6 s LEU 140 Ca -0.01 2.67 0.14 0.00 -1.03 0.00 0.00 54.13 55.90 3ib6 s LEU 140 Cb -0.18 -3.62 -0.18 0.00 0.03 0.00 0.00 46.19 42.23 3ib6 s LEU 140 CO -0.01 -0.69 0.52 0.00 0.23 0.00 0.00 176.35 176.40 3ib6 n GLN 141 N 2.23 1.67 -1.68 1.70 1.13 0.57 -4.45 117.38 118.54 3ib6 n GLN 141 Ca 0.06 -0.04 -0.51 0.00 -1.94 0.00 0.00 57.00 54.57 3ib6 n GLN 141 Cb 0.40 -1.23 -0.06 0.00 0.11 0.00 0.00 30.24 29.46 3ib6 n GLN 141 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3ib6 n ASN 142 N -1.56 3.08 0.00 1.08 2.85 -0.54 -4.65 115.26 115.52 3ib6 n ASN 142 Ca 0.01 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.45 3ib6 n ASN 142 Cb 0.28 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.00 3ib6 n ASN 142 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3ib6 n PRO 143 N 6.38 0.00 0.13 1.20 -0.02 -1.26 -1.46 135.00 139.97 3ib6 n PRO 143 Ca 0.25 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3ib6 n PRO 143 Cb 0.24 -1.51 0.27 0.00 -0.02 0.00 0.00 33.50 32.48 3ib6 n PRO 143 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3ib6 h GLU 144 N 0.00 0.00 0.00 -0.52 4.11 -1.98 -3.37 114.58 112.82 3ib6 h GLU 144 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ib6 h GLU 144 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ib6 h GLU 144 CO 0.00 0.00 -0.39 1.33 0.07 0.00 0.00 179.01 180.02 3ib6 n VAL 145 N -2.51 0.00 -2.40 -1.06 0.24 -0.54 -5.07 118.33 106.99 3ib6 n VAL 145 Ca 0.04 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 61.82 3ib6 n VAL 145 Cb 0.47 0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 3ib6 n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ib6 s LEU 147 N 2.96 2.12 -0.16 0.00 1.43 0.14 -4.86 118.68 120.30 3ib6 s LEU 147 Ca 0.57 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 3ib6 s LEU 147 Cb -0.24 -1.40 0.06 0.00 0.03 0.00 0.00 46.19 44.63 3ib6 s LEU 147 CO 0.19 0.20 0.40 -1.58 0.23 0.00 0.00 176.35 175.79 3ib6 s GLN 148 N 0.09 0.39 -0.22 1.70 0.74 -1.26 -0.30 119.66 120.79 3ib6 s GLN 148 Ca -0.11 0.75 0.09 0.00 0.05 0.00 0.00 55.36 56.14 3ib6 s GLN 148 Cb -0.16 -0.01 -0.21 0.00 1.10 0.00 0.00 33.01 33.73 3ib6 s GLN 148 CO 0.06 -0.15 -0.03 -0.25 -0.55 0.00 0.00 175.29 174.37 3ib6 n ASP 149 N 4.14 1.09 -3.70 6.67 8.00 -1.26 -5.02 116.55 126.47 3ib6 n ASP 149 Ca -0.23 -0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.10 3ib6 n ASP 149 Cb 0.55 0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.76 3ib6 n ASP 149 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ib6 s GLU 150 N -2.51 0.80 -1.26 -1.24 2.12 -1.26 -5.07 118.70 110.28 3ib6 s GLU 150 Ca -0.22 -0.21 -0.18 0.00 0.36 0.00 0.00 54.97 54.72 3ib6 s GLU 150 Cb 0.08 0.36 0.09 0.00 0.26 0.00 0.00 34.13 34.91 3ib6 s GLU 150 CO 0.72 -0.24 1.66 1.03 -0.54 0.00 0.00 175.26 177.88 3ib6 s ARG 151 N -1.75 3.98 0.47 4.30 0.52 -1.26 -4.96 118.95 120.26 3ib6 s ARG 151 Ca -0.10 -2.05 -0.22 0.00 -0.52 0.00 0.00 55.73 52.85 3ib6 s ARG 151 Cb -0.03 -5.44 -0.08 0.00 0.52 0.00 0.00 34.95 29.93 3ib6 s ARG 151 CO 0.02 -2.16 1.10 -0.51 0.02 0.00 0.00 175.30 173.77 3ib6 s LEU 152 N 3.78 3.94 0.17 2.53 1.43 -1.26 -4.91 118.68 124.37 3ib6 s LEU 152 Ca 0.51 2.11 -0.32 0.00 -1.03 0.00 0.00 54.13 55.41 3ib6 s LEU 152 Cb 0.02 -4.39 -0.11 0.00 0.03 0.00 0.00 46.19 41.74 3ib6 s LEU 152 CO 0.05 -0.84 1.75 -2.84 0.23 0.00 0.00 176.35 174.70 3ib6 s PRO 153 N -2.92 4.13 0.26 1.29 0.02 -1.26 -5.01 135.00 131.52 3ib6 s PRO 153 Ca 0.65 2.59 0.09 0.00 0.02 0.00 0.00 61.00 64.35 3ib6 s PRO 153 Cb -0.23 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 3ib6 s PRO 153 CO 0.27 -0.78 -0.00 -0.51 -0.33 0.00 0.00 177.00 175.65 3ib6 s LEU 154 N 1.75 3.21 0.36 -5.54 1.43 -1.26 -5.05 118.68 113.58 3ib6 s LEU 154 Ca 0.77 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 53.32 3ib6 s LEU 154 Cb -0.48 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 3ib6 s LEU 154 CO 0.33 0.00 0.02 0.68 0.23 0.00 0.00 176.35 177.62 3ib6 s VAL 155 N -2.30 2.46 -0.20 -1.59 -7.23 -1.26 -5.16 120.40 105.13 3ib6 s VAL 155 Ca 0.31 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 3ib6 s VAL 155 Cb -0.07 -2.83 0.06 0.00 0.56 0.00 0.00 36.38 34.11 3ib6 s VAL 155 CO 0.20 -0.15 0.48 0.00 -0.31 0.00 0.00 175.10 175.32 3ib6 s ALA 156 N -2.56 -1.24 1.01 1.32 0.00 -1.26 -4.26 121.76 114.76 3ib6 s ALA 156 Ca 0.35 1.73 -0.12 0.00 0.00 0.00 0.00 51.96 53.92 3ib6 s ALA 156 Cb 0.02 -1.04 0.19 0.00 0.00 0.00 0.00 23.12 22.30 3ib6 s ALA 156 CO 0.19 -0.29 1.08 -1.25 0.00 0.00 0.00 175.76 175.50 3ib6 s PRO 157 N 1.41 0.34 0.93 0.00 0.04 -1.26 -5.05 135.00 131.41 3ib6 s PRO 157 Ca -0.09 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 61.47 3ib6 s PRO 157 Cb -0.07 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.90 3ib6 s PRO 157 CO -0.14 -2.82 1.13 -1.25 0.04 0.00 0.00 177.00 173.96 3ib6 s PRO 158 N -4.88 0.90 0.16 0.56 0.04 -1.26 -5.08 135.00 125.44 3ib6 s PRO 158 Ca 0.66 1.41 0.02 0.00 0.04 0.00 0.00 61.00 63.13 3ib6 s PRO 158 Cb -0.20 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3ib6 s PRO 158 CO 0.59 -2.67 0.30 -0.06 0.04 0.00 0.00 177.00 175.20 3ib6 s PHE 159 N -2.66 3.48 -0.29 0.56 0.08 -1.26 -4.87 117.98 113.02 3ib6 s PHE 159 Ca 0.66 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.88 3ib6 s PHE 159 Cb -0.22 -1.68 0.08 0.00 -0.57 0.00 0.00 43.02 40.62 3ib6 s PHE 159 CO 0.59 0.49 -0.03 0.08 -0.10 0.00 0.00 175.22 176.25 3ib6 s VAL 160 N -1.77 2.13 -0.32 -0.44 1.01 -1.26 0.04 120.40 119.79 3ib6 s VAL 160 Ca 0.35 -1.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.29 3ib6 s VAL 160 Cb -0.11 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3ib6 s VAL 160 CO 0.29 -0.30 0.26 -0.63 0.00 0.00 0.00 175.10 174.71 3ib6 s ILE 161 N 1.05 5.26 0.26 2.22 1.01 0.06 -4.95 121.20 126.12 3ib6 s ILE 161 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 3ib6 s ILE 161 Cb -0.19 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 3ib6 s ILE 161 CO -0.07 0.05 1.01 -2.16 0.00 0.00 0.00 174.94 173.77 3ib6 s PRO 162 N 1.81 4.74 0.03 2.79 0.04 -1.26 -1.97 135.00 141.18 3ib6 s PRO 162 Ca 0.08 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3ib6 s PRO 162 Cb -0.17 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 3ib6 s PRO 162 CO 0.11 0.36 -0.04 0.14 0.04 0.00 0.00 177.00 177.61 3ib6 s VAL 163 N -1.19 0.22 0.04 -0.36 -7.23 -0.98 -4.93 120.40 105.97 3ib6 s VAL 163 Ca 0.43 -1.08 -0.27 0.00 -1.81 0.00 0.00 61.98 59.25 3ib6 s VAL 163 Cb -0.28 -0.51 -0.17 0.00 0.56 0.00 0.00 36.38 35.97 3ib6 s VAL 163 CO 0.36 -0.55 1.45 -0.25 -0.31 0.00 0.00 175.10 175.80 3ib6 h TRP 164 N 4.40 -0.49 -1.34 2.82 2.91 -1.94 0.16 115.95 122.47 3ib6 h TRP 164 Ca -0.33 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.68 3ib6 h TRP 164 Cb 1.20 0.16 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 3ib6 h TRP 164 CO 0.64 -0.21 0.00 -3.47 -1.03 0.00 0.00 178.44 174.37 3ib6 n ASP 165 N -5.25 0.00 -0.06 2.65 -0.08 -1.26 -1.46 116.55 111.09 3ib6 n ASP 165 Ca -0.11 -0.34 0.02 0.00 -1.51 0.00 0.00 54.79 52.85 3ib6 n ASP 165 Cb 0.27 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.08 3ib6 n ASP 165 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3ib6 h LEU 166 N 0.00 0.59 -1.92 -2.67 3.38 -1.90 -2.74 115.31 110.05 3ib6 h LEU 166 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3ib6 h LEU 166 Cb 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ib6 h LEU 166 CO 0.00 0.46 -0.12 0.00 0.09 0.00 0.00 178.44 178.88 3ib6 h ALA 167 N 1.64 1.49 0.00 1.53 0.00 -1.88 -1.09 119.26 120.95 3ib6 h ALA 167 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ib6 h ALA 167 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ib6 h ALA 167 CO -0.03 0.15 -0.38 -0.25 0.00 0.00 0.00 179.25 178.73 3ib6 n ASP 168 N -3.94 0.39 -0.06 0.00 8.00 -1.04 -4.19 116.55 115.72 3ib6 n ASP 168 Ca -0.02 -0.05 -0.07 0.00 0.71 0.00 0.00 54.79 55.35 3ib6 n ASP 168 Cb 0.21 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 3ib6 n ASP 168 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ib6 h VAL 169 N 0.00 0.69 -0.99 2.53 2.07 -1.23 -2.66 116.25 116.66 3ib6 h VAL 169 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3ib6 h VAL 169 Cb 0.51 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 3ib6 h VAL 169 CO 0.00 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 177.56 3ib6 h PRO 170 N -0.04 0.97 -0.56 1.57 0.11 -1.75 0.38 132.00 132.67 3ib6 h PRO 170 Ca 0.13 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3ib6 h PRO 170 Cb 0.23 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3ib6 h PRO 170 CO -0.28 0.64 0.33 0.93 -0.21 0.00 0.00 178.00 179.42 3ib6 h GLU 171 N 1.00 0.77 -0.55 1.05 3.07 -1.74 -1.31 114.58 116.86 3ib6 h GLU 171 Ca 0.48 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 59.17 3ib6 h GLU 171 Cb 0.44 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3ib6 h GLU 171 CO -0.25 0.56 -0.03 0.00 -1.40 0.00 0.00 179.01 177.89 3ib6 h ALA 172 N 1.16 0.90 -0.79 3.43 0.00 -1.10 -2.38 119.26 120.48 3ib6 h ALA 172 Ca 0.20 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ib6 h ALA 172 Cb -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 3ib6 h ALA 172 CO -0.04 0.65 0.49 -0.07 0.00 0.00 0.00 179.25 180.28 3ib6 h LEU 173 N 0.89 0.77 -0.39 0.00 3.38 -0.48 -1.89 115.31 117.58 3ib6 h LEU 173 Ca 0.16 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3ib6 h LEU 173 Cb 0.56 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ib6 h LEU 173 CO 0.03 0.51 -0.43 -0.07 0.09 0.00 0.00 178.44 178.57 3ib6 h LEU 174 N 0.91 0.96 -0.70 1.67 3.38 -1.08 0.60 115.31 121.05 3ib6 h LEU 174 Ca 0.34 -0.46 0.11 0.00 0.09 0.00 0.00 57.88 57.96 3ib6 h LEU 174 Cb 0.12 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 40.47 3ib6 h LEU 174 CO -0.15 1.25 -0.37 -0.07 0.09 0.00 0.00 178.44 179.18 3ib6 h LEU 175 N 0.71 -1.31 -0.38 1.67 4.07 -1.21 0.23 115.31 119.09 3ib6 h LEU 175 Ca 0.05 0.25 -0.18 0.00 0.08 0.00 0.00 57.88 58.08 3ib6 h LEU 175 Cb 1.02 0.65 -0.00 0.00 1.08 0.00 0.00 40.66 43.41 3ib6 h LEU 175 CO 0.10 -0.30 -0.57 -0.07 -1.08 0.00 0.00 178.44 176.52 3ib6 h LEU 176 N -0.13 0.82 -0.48 1.67 3.38 -0.67 -2.51 115.31 117.39 3ib6 h LEU 176 Ca 0.25 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3ib6 h LEU 176 Cb 0.56 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3ib6 h LEU 176 CO -0.76 1.21 0.24 0.11 0.09 0.00 0.00 178.44 179.33 3ib6 h LYS 177 N 0.56 0.47 -0.39 1.13 1.57 0.45 -1.36 116.57 119.00 3ib6 h LYS 177 Ca 0.01 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3ib6 h LYS 177 Cb 1.15 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 3ib6 h LYS 177 CO 0.12 0.31 0.21 1.57 -0.57 0.00 0.00 179.45 181.08 3ib6 h LYS 178 N 0.48 0.41 0.00 3.15 -0.00 -0.28 -2.18 116.57 118.16 3ib6 h LYS 178 Ca 0.21 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.65 60.72 3ib6 h LYS 178 Cb 0.11 -0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 32.23 3ib6 h LYS 178 CO -0.14 0.27 -0.55 -0.84 -0.00 0.00 0.00 179.45 178.19 3ib6 h ILE 179 N 0.43 1.25 -0.00 0.07 3.07 -1.26 -3.52 117.51 117.55 3ib6 h ILE 179 Ca 0.16 -1.97 0.00 0.00 1.55 0.00 0.00 64.86 64.61 3ib6 h ILE 179 Cb 0.05 2.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 3ib6 h ILE 179 CO -0.10 0.54 0.00 -1.20 -1.05 0.00 0.00 178.15 176.34