#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 0.00 -4.44 1.96 -2.24 -0.11 -4.96 114.28 104.50 3ib6 n THR 3 Ca 0.00 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 3ib6 n THR 3 Cb 0.00 0.45 -0.16 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.00 1.10 -0.19 4.78 3.76 -0.81 0.46 115.29 123.39 3ib6 s HIS 4 Ca 0.00 -0.32 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 3ib6 s HIS 4 Cb 0.00 -0.80 -0.00 0.00 1.11 0.00 0.00 32.58 32.88 3ib6 s HIS 4 CO 0.00 -0.16 -0.11 0.08 -0.85 0.00 0.00 174.74 173.70 3ib6 s VAL 5 N 0.40 2.95 -0.23 -0.90 1.01 0.62 -1.17 120.40 123.07 3ib6 s VAL 5 Ca -0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3ib6 s VAL 5 Cb -0.11 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3ib6 s VAL 5 CO 0.01 0.48 0.08 -0.63 0.00 0.00 0.00 175.10 175.04 3ib6 s ILE 6 N 1.14 4.57 -0.13 2.22 1.01 0.12 -0.88 121.20 129.25 3ib6 s ILE 6 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 3ib6 s ILE 6 Cb -0.14 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3ib6 s ILE 6 CO -0.03 0.36 -0.04 0.26 0.00 0.00 0.00 174.94 175.48 3ib6 s TRP 7 N 1.28 3.01 0.60 3.97 0.52 0.20 -0.19 118.94 128.34 3ib6 s TRP 7 Ca 0.05 -0.18 -0.15 0.00 0.02 0.00 0.00 56.10 55.85 3ib6 s TRP 7 Cb -0.15 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 3ib6 s TRP 7 CO 0.04 0.10 1.05 0.34 0.02 0.00 0.00 176.95 178.50 3ib6 s ASP 8 N -0.06 5.83 0.00 2.95 -1.08 -0.72 -1.71 116.67 121.88 3ib6 s ASP 8 Ca 0.01 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 3ib6 s ASP 8 Cb -0.13 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 3ib6 s ASP 8 CO 0.03 -1.13 0.00 0.23 0.52 0.00 0.00 175.17 174.81 3ib6 n MET 9 N -2.21 0.00 -1.62 4.34 2.81 -1.26 -3.73 117.12 115.45 3ib6 n MET 9 Ca 0.08 0.02 -0.62 0.00 -1.81 0.00 0.00 57.70 55.37 3ib6 n MET 9 Cb 0.53 -0.28 -0.09 0.00 -0.71 0.00 0.00 33.22 32.67 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 2.05 0.33 2.48 3.03 0.00 -1.26 -1.42 105.19 110.40 3ib6 n GLY 10 Ca 0.00 1.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.82 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 5.38 -1.52 0.00 1.61 1.02 0.16 -4.78 120.64 122.51 3ib6 n GLU 11 Ca 0.35 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.58 3ib6 n GLU 11 Cb 0.02 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 25.85 3ib6 n GLU 11 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ib6 n THR 12 N -3.29 0.00 0.09 2.62 -1.04 -0.51 -4.58 114.28 107.57 3ib6 n THR 12 Ca -0.22 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.67 3ib6 n THR 12 Cb 0.67 -0.34 -0.10 0.00 -1.82 0.00 0.00 70.33 68.74 3ib6 n THR 12 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ib6 h LEU 13 N 0.00 0.30 -8.60 -4.42 3.38 -1.37 -3.45 115.31 101.14 3ib6 h LEU 13 Ca 0.00 -0.30 -0.29 0.00 0.09 0.00 0.00 57.88 57.39 3ib6 h LEU 13 Cb 0.00 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 3ib6 h LEU 13 CO 0.00 1.19 -0.38 0.54 0.09 0.00 0.00 178.44 179.88 3ib6 s ASN 14 N -7.00 0.77 0.29 -0.43 4.22 -0.93 -1.56 114.94 110.30 3ib6 s ASN 14 Ca -0.03 -1.45 0.01 0.00 -2.14 0.00 0.00 52.86 49.25 3ib6 s ASN 14 Cb 0.08 0.55 -0.04 0.00 1.28 0.00 0.00 41.25 43.12 3ib6 s ASN 14 CO 0.86 -1.09 0.47 0.28 -2.04 0.00 0.00 177.10 175.59 3ib6 s THR 15 N -3.60 5.16 0.33 0.54 -1.32 -0.16 0.37 115.64 116.95 3ib6 s THR 15 Ca 0.35 -0.53 0.08 0.00 -1.21 0.00 0.00 61.69 60.38 3ib6 s THR 15 Cb 0.02 -3.83 -0.03 0.00 -1.51 0.00 0.00 72.50 67.15 3ib6 s THR 15 CO 0.18 -0.42 0.22 0.68 -2.21 0.00 0.00 174.62 173.08 3ib6 s VAL 16 N -2.14 3.45 0.97 5.08 -7.23 -1.26 -4.30 120.40 114.97 3ib6 s VAL 16 Ca 0.39 -1.50 -0.11 0.00 -1.81 0.00 0.00 61.98 58.94 3ib6 s VAL 16 Cb -0.10 -3.12 0.14 0.00 0.56 0.00 0.00 36.38 33.86 3ib6 s VAL 16 CO 0.33 -0.20 0.91 -2.65 -0.31 0.00 0.00 175.10 173.17 3ib6 n PRO 17 N -1.26 -0.72 0.11 4.82 -0.02 -1.26 -4.71 135.00 131.96 3ib6 n PRO 17 Ca -0.03 -0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.33 3ib6 n PRO 17 Cb 0.60 -2.20 0.43 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.93 0.26 0.00 2.55 2.35 -1.94 0.30 115.58 117.17 3ib6 h ASN 18 Ca -0.46 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3ib6 h ASN 18 Cb 1.28 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3ib6 h ASN 18 CO 0.40 0.32 0.00 0.35 -1.65 0.00 0.00 177.43 176.85 3ib6 n THR 19 N -4.37 0.00 0.00 2.81 -2.24 -1.26 -4.92 114.28 104.30 3ib6 n THR 19 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ib6 n THR 19 Cb 0.19 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.84 0.00 -3.04 -0.78 0.00 0.11 -4.84 116.66 107.28 3ib6 n ARG 20 Ca 0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.62 3ib6 n ARG 20 Cb 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.46 3ib6 n ARG 20 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 3ib6 s TYR 21 N 0.00 3.75 -0.82 2.89 1.13 -1.26 -4.14 117.35 118.90 3ib6 s TYR 21 Ca 0.00 1.51 -0.24 0.00 -1.41 0.00 0.00 57.07 56.92 3ib6 s TYR 21 Cb 0.00 -2.69 0.05 0.00 -1.10 0.00 0.00 41.96 38.22 3ib6 s TYR 21 CO 0.00 0.39 1.24 0.16 -2.51 0.00 0.00 175.55 174.83 3ib6 s ASP 22 N -1.46 6.30 0.34 -0.18 -4.77 -1.26 -4.78 116.67 110.86 3ib6 s ASP 22 Ca 0.41 -1.00 0.22 0.00 -3.30 0.00 0.00 52.55 48.88 3ib6 s ASP 22 Cb -0.19 -2.52 0.20 0.00 -1.09 0.00 0.00 42.92 39.32 3ib6 s ASP 22 CO 0.23 -1.59 1.40 0.45 0.70 0.00 0.00 175.17 176.36 3ib6 h HIS 23 N 9.74 0.00 -2.03 2.11 3.86 -1.95 -3.15 115.15 123.73 3ib6 h HIS 23 Ca -0.11 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.51 3ib6 h HIS 23 Cb 1.04 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.40 3ib6 h HIS 23 CO 1.14 0.08 -0.65 -1.01 0.86 0.00 0.00 177.93 178.35 3ib6 s HIS 24 N -3.21 2.52 0.31 2.45 3.76 -1.26 -4.87 115.29 114.99 3ib6 s HIS 24 Ca 0.04 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.28 3ib6 s HIS 24 Cb 0.07 -1.34 -0.12 0.00 1.11 0.00 0.00 32.58 32.30 3ib6 s HIS 24 CO 0.72 0.55 1.53 -2.30 -0.85 0.00 0.00 174.74 174.39 3ib6 n PRO 25 N -0.87 2.60 0.00 8.40 -0.02 -1.26 -4.72 135.00 139.13 3ib6 n PRO 25 Ca -0.05 0.92 0.18 0.00 -2.02 0.00 0.00 63.50 62.53 3ib6 n PRO 25 Cb 0.61 -2.67 0.65 0.00 -0.02 0.00 0.00 33.50 32.08 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 4.10 0.07 -0.08 2.45 5.85 -1.92 0.69 115.31 126.48 3ib6 h LEU 26 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ib6 h LEU 26 Cb 1.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3ib6 h LEU 26 CO 0.74 0.04 0.00 -0.90 -0.34 0.00 0.00 178.44 177.98 3ib6 n ASP 27 N -4.41 0.10 -0.55 1.25 5.75 -1.26 -2.83 116.55 114.60 3ib6 n ASP 27 Ca 0.09 0.52 0.11 0.00 -0.01 0.00 0.00 54.79 55.50 3ib6 n ASP 27 Cb 0.53 -0.54 0.40 0.00 -1.03 0.00 0.00 41.12 40.47 3ib6 n ASP 27 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3ib6 n THR 28 N -1.61 0.17 -3.50 2.12 -2.24 0.24 -4.79 114.28 104.68 3ib6 n THR 28 Ca 0.04 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3ib6 n THR 28 Cb 0.22 0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 3ib6 n THR 28 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3ib6 s TYR 29 N -1.83 3.26 0.34 4.78 1.51 -1.13 -4.97 117.35 119.32 3ib6 s TYR 29 Ca 0.33 -0.96 0.26 0.00 -1.01 0.00 0.00 57.07 55.70 3ib6 s TYR 29 Cb 0.18 -2.81 1.31 0.00 -0.11 0.00 0.00 41.96 40.53 3ib6 s TYR 29 CO 0.28 -0.72 2.01 -1.35 -1.11 0.00 0.00 175.55 174.65 3ib6 h PRO 30 N 8.58 0.00 0.00 -1.71 0.11 -1.90 -2.19 132.00 134.90 3ib6 h PRO 30 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ib6 h PRO 30 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ib6 h PRO 30 CO 0.77 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.86 3ib6 n GLU 31 N -3.57 0.29 -3.15 1.05 0.00 -1.26 -4.67 120.64 109.33 3ib6 n GLU 31 Ca -0.01 0.10 -0.41 0.00 0.00 0.00 0.00 57.16 56.84 3ib6 n GLU 31 Cb 0.29 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.16 3ib6 n GLU 31 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3ib6 s VAL 32 N -2.52 4.98 0.03 3.84 1.01 -0.82 -4.77 120.40 122.14 3ib6 s VAL 32 Ca 0.18 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 3ib6 s VAL 32 Cb 0.12 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.62 3ib6 s VAL 32 CO 0.27 -0.04 0.57 0.54 0.00 0.00 0.00 175.10 176.44 3ib6 s VAL 33 N 2.50 0.02 0.47 2.92 0.11 -1.26 -4.94 120.40 120.21 3ib6 s VAL 33 Ca 0.24 -0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 3ib6 s VAL 33 Cb -0.15 -0.97 -0.09 0.00 -1.53 0.00 0.00 36.38 33.63 3ib6 s VAL 33 CO 0.10 -0.08 0.90 0.18 -3.33 0.00 0.00 175.10 172.88 3ib6 n LEU 34 N 0.49 2.36 -4.98 2.54 4.32 -1.26 -0.99 117.00 119.48 3ib6 n LEU 34 Ca -0.18 0.95 -0.20 0.00 -0.02 0.00 0.00 56.01 56.55 3ib6 n LEU 34 Cb 0.60 -1.32 0.03 0.00 -1.62 0.00 0.00 43.42 41.11 3ib6 n LEU 34 CO 0.20 -1.86 0.30 -0.13 -1.22 0.00 0.00 177.39 174.68 3ib6 s ARG 35 N -2.12 2.66 -0.00 3.23 0.52 -0.60 -4.76 118.95 117.89 3ib6 s ARG 35 Ca 0.66 -0.89 -0.32 0.00 -0.52 0.00 0.00 55.73 54.66 3ib6 s ARG 35 Cb -0.52 -2.57 -0.10 0.00 0.52 0.00 0.00 34.95 32.27 3ib6 s ARG 35 CO 0.55 -0.55 1.91 0.36 0.02 0.00 0.00 175.30 177.59 3ib6 n LYS 36 N -2.18 2.56 -0.91 3.54 2.85 -1.26 -1.98 118.16 120.79 3ib6 n LYS 36 Ca 0.07 0.94 0.00 0.00 -1.05 0.00 0.00 58.31 58.27 3ib6 n LYS 36 Cb 0.59 -2.84 0.00 0.00 -0.65 0.00 0.00 35.03 32.13 3ib6 n LYS 36 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ib6 n ASN 37 N 6.85 -2.26 0.30 -5.58 5.03 -1.26 -4.76 115.26 113.58 3ib6 n ASN 37 Ca 0.21 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.50 3ib6 n ASN 37 Cb 0.35 -0.38 -0.08 0.00 -1.02 0.00 0.00 39.78 38.66 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 -0.78 -0.83 5.41 0.00 -1.69 0.45 119.26 121.82 3ib6 h ALA 38 Ca 0.00 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.90 3ib6 h ALA 38 Cb 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 3ib6 h ALA 38 CO 0.00 -0.84 0.33 0.87 0.00 0.00 0.00 179.25 179.61 3ib6 h LYS 39 N -0.97 0.39 -0.28 0.00 1.57 -1.92 -0.94 116.57 114.42 3ib6 h LYS 39 Ca -0.08 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 3ib6 h LYS 39 Cb 0.65 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3ib6 h LYS 39 CO 0.13 0.26 -0.56 0.93 -0.57 0.00 0.00 179.45 179.64 3ib6 h GLU 40 N 0.41 0.86 -0.41 3.15 3.07 -1.89 -1.00 114.58 118.77 3ib6 h GLU 40 Ca 0.49 -0.55 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3ib6 h GLU 40 Cb 0.86 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 3ib6 h GLU 40 CO -0.48 1.18 0.20 1.15 -1.40 0.00 0.00 179.01 179.66 3ib6 h THR 41 N 0.65 1.17 -0.63 1.13 2.02 -0.32 0.40 112.91 117.34 3ib6 h THR 41 Ca 0.01 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.75 3ib6 h THR 41 Cb 1.17 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3ib6 h THR 41 CO 0.12 0.19 0.35 -0.07 0.37 0.00 0.00 175.52 176.48 3ib6 h LEU 42 N 0.52 0.53 -0.36 2.58 3.38 -1.10 0.16 115.31 121.02 3ib6 h LEU 42 Ca 0.14 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3ib6 h LEU 42 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3ib6 h LEU 42 CO -0.02 0.35 -0.09 -0.08 0.09 0.00 0.00 178.44 178.69 3ib6 h GLU 43 N 0.66 0.70 -0.41 1.13 4.57 -0.86 -1.74 114.58 118.63 3ib6 h GLU 43 Ca 0.28 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3ib6 h GLU 43 Cb 0.15 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3ib6 h GLU 43 CO -0.17 0.86 0.11 -0.22 -1.18 0.00 0.00 179.01 178.41 3ib6 h LYS 44 N 0.49 0.65 -0.95 1.92 3.64 -0.59 -1.31 116.57 120.42 3ib6 h LYS 44 Ca 0.09 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3ib6 h LYS 44 Cb 0.61 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 3ib6 h LYS 44 CO 0.04 0.67 0.63 0.28 -2.27 0.00 0.00 179.45 178.79 3ib6 h VAL 45 N 0.52 1.20 -0.76 2.00 2.07 -0.51 0.35 116.25 121.12 3ib6 h VAL 45 Ca 0.13 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3ib6 h VAL 45 Cb 0.30 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3ib6 h VAL 45 CO 0.00 0.23 0.30 0.50 0.02 0.00 0.00 177.57 178.62 3ib6 h LYS 46 N 1.25 1.15 0.00 1.57 3.64 -1.07 -2.41 116.57 120.70 3ib6 h LYS 46 Ca 0.37 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3ib6 h LYS 46 Cb -0.07 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3ib6 h LYS 46 CO -0.10 0.94 -0.45 1.96 -2.27 0.00 0.00 179.45 179.53 3ib6 h GLN 47 N 1.11 0.00 0.00 1.90 4.20 0.08 0.19 115.11 122.58 3ib6 h GLN 47 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3ib6 h GLN 47 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3ib6 h GLN 47 CO -0.02 0.45 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 3ib6 n LEU 48 N -3.46 0.00 0.00 1.46 4.77 0.11 -4.85 117.00 115.03 3ib6 n LEU 48 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ib6 n LEU 48 Cb 0.59 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3ib6 n LEU 48 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3ib6 n GLY 49 N 0.16 0.75 3.79 -0.72 0.00 0.66 -5.06 105.19 104.78 3ib6 n GLY 49 Ca 0.13 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.81 0.46 1.61 0.40 -1.00 -5.01 117.98 116.25 3ib6 s PHE 50 Ca 0.00 1.49 -0.14 0.00 -0.60 0.00 0.00 56.93 57.68 3ib6 s PHE 50 Cb 0.00 -2.67 -0.07 0.00 0.51 0.00 0.00 43.02 40.78 3ib6 s PHE 50 CO 0.00 0.48 0.89 0.15 0.70 0.00 0.00 175.22 177.44 3ib6 s LYS 51 N -1.39 3.89 0.13 0.44 -0.14 0.17 -4.36 119.74 118.48 3ib6 s LYS 51 Ca 0.37 0.76 0.06 0.00 -1.36 0.00 0.00 55.97 55.79 3ib6 s LYS 51 Cb -0.20 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 3ib6 s LYS 51 CO 0.23 -0.16 -0.14 -0.65 -0.76 0.00 0.00 175.35 173.87 3ib6 s GLN 52 N -3.93 1.07 -0.03 1.68 -0.21 -1.26 -0.28 119.66 116.70 3ib6 s GLN 52 Ca 0.56 -1.29 -0.17 0.00 0.02 0.00 0.00 55.36 54.49 3ib6 s GLN 52 Cb -0.10 -0.95 0.03 0.00 1.00 0.00 0.00 33.01 32.99 3ib6 s GLN 52 CO 0.31 0.18 0.36 0.00 -2.12 0.00 0.00 175.29 174.01 3ib6 s ALA 53 N -2.23 -0.91 -0.17 6.09 0.00 -0.06 -0.48 121.76 123.99 3ib6 s ALA 53 Ca 0.11 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 3ib6 s ALA 53 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3ib6 s ALA 53 CO 0.03 -0.27 -0.08 0.42 0.00 0.00 0.00 175.76 175.87 3ib6 s ILE 54 N -1.17 3.31 -0.17 0.00 -1.09 0.75 0.58 121.20 123.41 3ib6 s ILE 54 Ca -0.12 -0.54 -0.03 0.00 -2.23 0.00 0.00 60.65 57.73 3ib6 s ILE 54 Cb -0.04 -2.45 0.06 0.00 -1.58 0.00 0.00 42.46 38.44 3ib6 s ILE 54 CO 0.05 0.48 0.04 -0.22 -1.23 0.00 0.00 174.94 174.06 3ib6 s LEU 55 N 0.82 0.96 -0.02 2.97 2.96 -0.70 -0.46 118.68 125.21 3ib6 s LEU 55 Ca -0.03 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 3ib6 s LEU 55 Cb -0.15 -0.51 0.02 0.00 0.50 0.00 0.00 46.19 46.05 3ib6 s LEU 55 CO 0.01 -0.30 0.01 -0.55 -1.32 0.00 0.00 176.35 174.20 3ib6 s SER 56 N 1.92 0.24 0.04 3.68 0.15 -0.52 -4.16 113.70 115.05 3ib6 s SER 56 Ca 0.00 -0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 3ib6 s SER 56 Cb -0.16 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 3ib6 s SER 56 CO -0.08 -0.08 1.01 0.20 1.20 0.00 0.00 173.24 175.49 3ib6 s ASN 57 N 0.79 7.36 0.29 5.45 0.01 -1.26 -1.14 114.94 126.44 3ib6 s ASN 57 Ca -0.07 1.76 0.02 0.00 -0.71 0.00 0.00 52.86 53.86 3ib6 s ASN 57 Cb -0.10 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3ib6 s ASN 57 CO -0.02 -0.24 0.12 0.42 -1.51 0.00 0.00 177.10 175.88 3ib6 s THR 58 N 0.71 0.48 -0.18 1.60 -4.23 -1.26 -4.83 115.64 107.93 3ib6 s THR 58 Ca 0.52 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 3ib6 s THR 58 Cb -0.23 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 70.97 3ib6 s THR 58 CO 0.29 0.00 -0.30 0.00 -0.54 0.00 0.00 174.62 174.07 3ib6 n ALA 59 N -0.55 1.28 0.16 3.99 0.00 -1.26 -1.35 120.51 122.79 3ib6 n ALA 59 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 53.44 52.66 3ib6 n ALA 59 Cb 0.66 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 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 -4.23 0.00 -3.58 0.00 -1.04 -1.19 0.11 114.28 104.35 3ib6 n THR 60 Ca -0.26 -0.29 -0.37 0.00 -2.04 0.00 0.00 64.05 61.09 3ib6 n THR 60 Cb 0.60 0.78 -0.09 0.00 -1.82 0.00 0.00 70.33 69.79 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 -1.89 6.16 0.72 8.00 0.01 -1.26 -4.75 113.70 120.69 3ib6 s SER 61 Ca 0.01 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.43 3ib6 s SER 61 Cb 0.04 -2.14 0.13 0.00 0.21 0.00 0.00 66.02 64.26 3ib6 s SER 61 CO 0.22 -0.00 0.99 1.51 0.41 0.00 0.00 173.24 176.37 3ib6 s ASP 62 N 1.26 4.33 0.35 2.44 1.47 -1.26 -3.80 116.67 121.47 3ib6 s ASP 62 Ca 0.10 -0.44 0.09 0.00 1.18 0.00 0.00 52.55 53.47 3ib6 s ASP 62 Cb -0.14 0.09 0.81 0.00 -0.34 0.00 0.00 42.92 43.33 3ib6 s ASP 62 CO 0.07 -1.88 1.86 0.74 0.68 0.00 0.00 175.17 176.65 3ib6 h THR 63 N -0.51 0.83 -0.23 2.11 2.02 -1.95 -1.43 112.91 113.75 3ib6 h THR 63 Ca -0.35 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 3ib6 h THR 63 Cb 1.27 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3ib6 h THR 63 CO 0.39 0.13 -0.37 -0.33 0.37 0.00 0.00 175.52 175.71 3ib6 h GLU 64 N 0.70 0.50 -0.42 6.66 4.39 -1.96 0.72 114.58 125.17 3ib6 h GLU 64 Ca 0.46 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 3ib6 h GLU 64 Cb 0.73 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 3ib6 h GLU 64 CO -0.21 0.80 0.01 0.28 -1.16 0.00 0.00 179.01 178.73 3ib6 h VAL 65 N 0.42 1.26 -0.57 3.13 2.07 -1.64 -2.32 116.25 118.60 3ib6 h VAL 65 Ca 0.04 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 3ib6 h VAL 65 Cb 0.84 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3ib6 h VAL 65 CO 0.07 0.34 -0.03 0.40 0.02 0.00 0.00 177.57 178.37 3ib6 h ILE 66 N 0.57 1.26 -0.77 4.57 5.03 -1.19 -1.73 117.51 125.25 3ib6 h ILE 66 Ca 0.12 -1.17 0.07 0.00 -0.12 0.00 0.00 64.86 63.76 3ib6 h ILE 66 Cb 0.47 0.86 -0.06 0.00 -3.03 0.00 0.00 36.82 35.05 3ib6 h ILE 66 CO 0.02 0.42 0.45 0.11 -0.68 0.00 0.00 178.15 178.47 3ib6 h LYS 67 N 0.92 0.79 -0.68 2.37 1.57 -0.73 -0.89 116.57 119.92 3ib6 h LYS 67 Ca 0.16 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3ib6 h LYS 67 Cb 0.58 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3ib6 h LYS 67 CO 0.03 0.52 0.15 -0.09 -0.57 0.00 0.00 179.45 179.50 3ib6 h ARG 68 N 0.81 1.10 -0.41 3.15 2.43 -0.92 -1.02 114.38 119.53 3ib6 h ARG 68 Ca 0.35 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3ib6 h ARG 68 Cb 0.23 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3ib6 h ARG 68 CO -0.20 0.98 0.23 0.28 -1.51 0.00 0.00 179.97 179.75 3ib6 h VAL 69 N 1.04 1.15 -0.07 0.20 2.07 -0.90 -1.80 116.25 117.93 3ib6 h VAL 69 Ca 0.21 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3ib6 h VAL 69 Cb 0.38 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3ib6 h VAL 69 CO 0.00 0.16 -0.23 -0.07 0.02 0.00 0.00 177.57 177.45 3ib6 h LEU 70 N 0.53 0.12 -0.05 2.57 3.38 -0.70 -1.71 115.31 119.45 3ib6 h LEU 70 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ib6 h LEU 70 Cb 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ib6 h LEU 70 CO -0.02 0.36 -0.05 0.74 0.09 0.00 0.00 178.44 179.55 3ib6 h THR 71 N 0.11 1.39 -0.87 0.22 2.02 -0.94 -1.43 112.91 113.41 3ib6 h THR 71 Ca 0.02 -1.24 0.15 0.00 0.77 0.00 0.00 66.41 66.11 3ib6 h THR 71 Cb 0.47 2.11 -0.09 0.00 -1.74 0.00 0.00 68.15 68.90 3ib6 h THR 71 CO 0.03 0.34 0.47 0.78 0.37 0.00 0.00 175.52 177.51 3ib6 h ASN 72 N -0.34 0.58 0.98 4.18 -0.26 -1.09 -0.72 115.58 118.91 3ib6 h ASN 72 Ca 0.01 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3ib6 h ASN 72 Cb 0.57 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 3ib6 h ASN 72 CO 0.01 0.25 0.00 -0.26 -1.06 0.00 0.00 177.43 176.37 3ib6 h PHE 73 N 0.66 0.00 -0.64 1.19 0.04 -1.15 -3.47 116.94 113.58 3ib6 h PHE 73 Ca 0.47 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.15 3ib6 h PHE 73 Cb 0.66 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3ib6 h PHE 73 CO -0.08 0.00 -0.12 0.41 -0.60 0.00 0.00 178.31 177.92 3ib6 n GLY 74 N 0.07 0.24 0.00 -1.45 0.00 -0.28 -4.95 105.19 98.81 3ib6 n GLY 74 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.87 0.26 -0.29 -0.61 -5.35 -0.59 -4.82 119.36 104.08 3ib6 n ILE 75 Ca -0.06 -0.54 0.16 0.00 -0.27 0.00 0.00 62.75 62.04 3ib6 n ILE 75 Cb 0.50 0.99 0.43 0.00 -1.74 0.00 0.00 39.64 39.82 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 0.28 0.71 0.00 7.28 6.09 -1.79 -2.19 117.51 127.89 3ib6 h ILE 76 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 3ib6 h ILE 76 Cb 0.24 0.09 0.00 0.00 0.47 0.00 0.00 36.82 37.62 3ib6 h ILE 76 CO 0.00 0.10 0.00 0.47 -3.07 0.00 0.00 178.15 175.65 3ib6 n ASP 77 N -4.60 0.00 0.09 2.19 10.43 -1.26 -2.43 116.55 120.97 3ib6 n ASP 77 Ca 0.21 -0.13 0.12 0.00 2.57 0.00 0.00 54.79 57.55 3ib6 n ASP 77 Cb 0.63 -0.23 0.45 0.00 1.84 0.00 0.00 41.12 43.81 3ib6 n ASP 77 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3ib6 n TYR 78 N -1.23 0.71 -4.89 1.24 4.02 -0.82 -4.90 117.16 111.29 3ib6 n TYR 78 Ca 0.11 0.23 -0.33 0.00 -0.01 0.00 0.00 57.90 57.90 3ib6 n TYR 78 Cb 0.15 -0.87 -0.15 0.00 -0.02 0.00 0.00 39.34 38.45 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 -3.14 2.74 -0.65 -0.72 0.08 -1.02 -4.06 117.98 111.20 3ib6 s PHE 79 Ca 0.09 -0.63 0.24 0.00 0.12 0.00 0.00 56.93 56.75 3ib6 s PHE 79 Cb 0.12 -1.78 0.41 0.00 -0.57 0.00 0.00 43.02 41.21 3ib6 s PHE 79 CO 0.50 -0.18 1.39 -0.44 -0.10 0.00 0.00 175.22 176.40 3ib6 h ASP 80 N 6.45 0.00 -3.15 1.36 3.32 -1.12 -3.46 116.42 119.82 3ib6 h ASP 80 Ca -0.28 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 3ib6 h ASP 80 Cb 1.21 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.48 3ib6 h ASP 80 CO 0.53 0.09 -0.36 0.12 -1.72 0.00 0.00 179.24 177.90 3ib6 s PHE 81 N -3.16 -0.55 -0.06 4.55 5.36 -1.26 -5.02 117.98 117.84 3ib6 s PHE 81 Ca 0.07 1.19 0.02 0.00 -0.96 0.00 0.00 56.93 57.25 3ib6 s PHE 81 Cb 0.13 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 43.03 3ib6 s PHE 81 CO 0.70 -0.34 -0.12 0.42 -1.46 0.00 0.00 175.22 174.42 3ib6 s ILE 82 N 1.56 1.12 -0.11 3.12 1.01 -1.26 -0.18 121.20 126.47 3ib6 s ILE 82 Ca -0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 3ib6 s ILE 82 Cb -0.09 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.40 3ib6 s ILE 82 CO -0.12 0.35 0.26 -0.47 0.00 0.00 0.00 174.94 174.96 3ib6 s TYR 83 N 0.58 -0.36 -0.14 3.97 5.04 0.39 -4.97 117.35 121.86 3ib6 s TYR 83 Ca -0.13 0.83 -0.01 0.00 -2.44 0.00 0.00 57.07 55.32 3ib6 s TYR 83 Cb -0.15 0.06 -0.02 0.00 0.35 0.00 0.00 41.96 42.20 3ib6 s TYR 83 CO 0.03 -0.25 -0.10 0.00 -1.34 0.00 0.00 175.55 173.90 3ib6 s ALA 84 N 1.34 2.76 0.40 3.97 0.00 -1.26 -1.43 121.76 127.54 3ib6 s ALA 84 Ca -0.09 -0.87 0.16 0.00 0.00 0.00 0.00 51.96 51.16 3ib6 s ALA 84 Cb -0.10 -1.35 0.94 0.00 0.00 0.00 0.00 23.12 22.61 3ib6 s ALA 84 CO -0.09 0.22 1.93 0.66 0.00 0.00 0.00 175.76 178.48 3ib6 h SER 85 N 6.74 0.00 -6.63 0.00 4.64 -1.39 -3.38 113.55 113.52 3ib6 h SER 85 Ca -0.28 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.51 3ib6 h SER 85 Cb 1.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3ib6 h SER 85 CO 0.58 0.26 -0.98 -3.20 -0.87 0.00 0.00 176.83 172.62 3ib6 n ASN 86 N -4.10 -4.55 0.00 4.97 5.15 -1.20 -4.72 115.26 110.81 3ib6 n ASN 86 Ca -0.02 -1.18 0.10 0.00 -0.60 0.00 0.00 54.58 52.88 3ib6 n ASN 86 Cb 0.32 -2.42 0.48 0.00 -0.53 0.00 0.00 39.78 37.63 3ib6 n ASN 86 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3ib6 n SER 87 N -2.39 0.00 -0.74 1.20 7.64 -0.45 -2.50 113.62 116.37 3ib6 n SER 87 Ca -0.11 0.31 0.11 0.00 1.01 0.00 0.00 58.87 60.20 3ib6 n SER 87 Cb 0.58 -0.42 0.05 0.00 -1.01 0.00 0.00 64.21 63.41 3ib6 n SER 87 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3ib6 n GLU 88 N -1.42 1.81 0.33 1.43 2.13 0.12 -4.50 120.64 120.53 3ib6 n GLU 88 Ca 0.07 -1.49 -0.17 0.00 0.66 0.00 0.00 57.16 56.23 3ib6 n GLU 88 Cb 0.22 -1.47 -0.09 0.00 0.27 0.00 0.00 31.44 30.37 3ib6 n GLU 88 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3ib6 h LEU 89 N 3.64 -0.67 -7.72 4.31 5.85 -1.59 -3.47 115.31 115.66 3ib6 h LEU 89 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ib6 h LEU 89 Cb 0.88 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 3ib6 h LEU 89 CO 0.00 -0.46 0.08 0.00 -0.34 0.00 0.00 178.44 177.72 3ib6 s GLN 90 N -5.93 1.47 0.84 1.25 -2.07 -1.26 -5.16 119.66 108.81 3ib6 s GLN 90 Ca -0.17 -0.88 -0.11 0.00 -1.82 0.00 0.00 55.36 52.38 3ib6 s GLN 90 Cb 0.03 0.54 0.10 0.00 -1.09 0.00 0.00 33.01 32.60 3ib6 s GLN 90 CO 0.61 -0.64 1.14 -2.14 -1.32 0.00 0.00 175.29 172.95 3ib6 s PRO 91 N -3.88 1.53 0.00 9.60 0.02 -1.26 -3.87 135.00 137.13 3ib6 s PRO 91 Ca 0.10 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.62 3ib6 s PRO 91 Cb -0.02 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.71 3ib6 s PRO 91 CO -0.01 -2.25 0.00 0.41 -0.33 0.00 0.00 177.00 174.83 3ib6 n GLY 92 N -0.09 0.86 3.71 0.52 0.00 -1.26 -5.03 105.19 103.89 3ib6 n GLY 92 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.40 4.34 0.48 1.61 -0.14 -1.25 -4.97 119.74 119.41 3ib6 s LYS 93 Ca 0.00 1.95 -0.23 0.00 -1.36 0.00 0.00 55.97 56.33 3ib6 s LYS 93 Cb 0.00 -3.38 -0.07 0.00 -1.68 0.00 0.00 37.83 32.71 3ib6 s LYS 93 CO 0.00 -0.43 1.27 0.00 -0.76 0.00 0.00 175.35 175.43 3ib6 s MET 94 N 1.50 3.57 0.05 1.68 0.23 -1.26 -4.96 119.30 120.11 3ib6 s MET 94 Ca 0.63 2.04 -0.21 0.00 -1.03 0.00 0.00 55.69 57.12 3ib6 s MET 94 Cb -0.33 -2.43 0.05 0.00 -1.53 0.00 0.00 34.83 30.59 3ib6 s MET 94 CO 0.29 -0.79 0.48 -1.83 -2.03 0.00 0.00 175.02 171.14 3ib6 s GLU 95 N -2.68 1.00 0.48 3.16 -1.05 -1.26 -4.70 118.70 113.66 3ib6 s GLU 95 Ca 0.65 -0.31 -0.23 0.00 -0.15 0.00 0.00 54.97 54.94 3ib6 s GLU 95 Cb -0.35 0.45 -0.07 0.00 -0.44 0.00 0.00 34.13 33.72 3ib6 s GLU 95 CO 0.43 -0.36 1.21 0.15 0.95 0.00 0.00 175.26 177.64 3ib6 s LYS 96 N -2.55 3.60 0.00 -4.83 1.02 -1.26 -1.69 119.74 114.03 3ib6 s LYS 96 Ca -0.05 1.89 0.13 0.00 0.02 0.00 0.00 55.97 57.95 3ib6 s LYS 96 Cb -0.01 -2.37 0.42 0.00 -0.52 0.00 0.00 37.83 35.36 3ib6 s LYS 96 CO -0.03 -0.71 1.32 -0.35 -0.92 0.00 0.00 175.35 174.66 3ib6 n PRO 97 N -0.63 1.71 -2.05 -1.68 -0.04 -1.25 -4.87 135.00 126.19 3ib6 n PRO 97 Ca 0.08 -1.09 -0.36 0.00 -0.04 0.00 0.00 63.50 62.08 3ib6 n PRO 97 Cb 0.47 -1.28 0.02 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.15 5.47 0.36 3.54 -0.00 -0.68 -4.52 116.67 119.69 3ib6 s ASP 98 Ca 0.24 2.41 0.04 0.00 -0.00 0.00 0.00 52.55 55.24 3ib6 s ASP 98 Cb 0.13 -2.60 0.69 0.00 -0.00 0.00 0.00 42.92 41.13 3ib6 s ASP 98 CO 0.17 -1.40 2.00 0.07 -0.00 0.00 0.00 175.17 176.01 3ib6 h LYS 99 N 1.27 0.77 -0.78 8.23 2.10 -1.93 -2.86 116.57 123.37 3ib6 h LYS 99 Ca -0.50 -0.05 0.12 0.00 -2.00 0.00 0.00 60.65 58.22 3ib6 h LYS 99 Cb 1.28 -0.17 -0.08 0.00 -0.90 0.00 0.00 32.23 32.35 3ib6 h LYS 99 CO 0.57 0.51 0.38 1.15 -2.00 0.00 0.00 179.45 180.06 3ib6 h THR 100 N 0.80 0.77 -0.29 0.07 2.02 -1.92 0.49 112.91 114.86 3ib6 h THR 100 Ca 0.25 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 67.06 3ib6 h THR 100 Cb 0.01 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3ib6 h THR 100 CO -0.06 0.11 -0.46 -0.29 0.37 0.00 0.00 175.52 175.19 3ib6 h ILE 101 N 0.59 1.29 0.05 3.11 2.10 -1.79 0.23 117.51 123.09 3ib6 h ILE 101 Ca 0.41 -1.65 -0.00 0.00 1.08 0.00 0.00 64.86 64.69 3ib6 h ILE 101 Cb 0.52 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 3ib6 h ILE 101 CO -0.33 0.53 -0.02 -0.26 -1.08 0.00 0.00 178.15 176.99 3ib6 h PHE 102 N 0.60 -0.06 -0.88 2.19 -1.00 -1.46 0.14 116.94 116.47 3ib6 h PHE 102 Ca 0.04 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.89 3ib6 h PHE 102 Cb 1.02 0.02 -0.11 0.00 3.61 0.00 0.00 35.95 40.50 3ib6 h PHE 102 CO 0.05 0.57 -0.52 -0.25 -1.61 0.00 0.00 178.31 176.55 3ib6 n ASP 103 N -4.79 -0.93 -0.13 2.17 8.00 0.17 -1.07 116.55 119.96 3ib6 n ASP 103 Ca -0.08 1.59 -0.04 0.00 0.71 0.00 0.00 54.79 56.97 3ib6 n ASP 103 Cb 0.32 -0.22 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 3ib6 n ASP 103 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3ib6 h PHE 104 N 0.00 -0.02 -0.20 1.24 3.57 -0.45 -1.42 116.94 119.66 3ib6 h PHE 104 Ca 0.14 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3ib6 h PHE 104 Cb 0.36 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3ib6 h PHE 104 CO -0.93 -0.08 0.12 1.15 -2.23 0.00 0.00 178.31 176.34 3ib6 h THR 105 N 0.11 1.08 -0.22 4.41 2.02 0.02 -1.70 112.91 118.64 3ib6 h THR 105 Ca 0.21 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3ib6 h THR 105 Cb 0.30 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3ib6 h THR 105 CO -0.35 0.08 0.13 -0.07 0.37 0.00 0.00 175.52 175.68 3ib6 h LEU 106 N 0.24 0.26 -0.92 2.58 3.38 -0.81 -2.10 115.31 117.94 3ib6 h LEU 106 Ca 0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ib6 h LEU 106 Cb 0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3ib6 h LEU 106 CO -0.01 0.23 0.31 -1.13 0.09 0.00 0.00 178.44 177.92 3ib6 h ASN 107 N 0.26 1.00 0.19 -0.43 -1.24 -1.21 0.23 115.58 114.38 3ib6 h ASN 107 Ca 0.08 -0.14 -0.09 0.00 0.71 0.00 0.00 56.30 56.86 3ib6 h ASN 107 Cb 0.02 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 3ib6 h ASN 107 CO -0.01 0.88 -0.33 0.00 -1.29 0.00 0.00 177.43 176.68 3ib6 h ALA 108 N 1.26 1.25 0.00 1.57 0.00 -1.07 -1.56 119.26 120.71 3ib6 h ALA 108 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ib6 h ALA 108 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ib6 h ALA 108 CO -0.02 0.51 -0.30 1.28 0.00 0.00 0.00 179.25 180.72 3ib6 n LEU 109 N -4.10 0.31 -3.46 0.00 4.77 -0.81 -4.98 117.00 108.74 3ib6 n LEU 109 Ca -0.01 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 3ib6 n LEU 109 Cb 0.41 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3ib6 n LEU 109 CO 0.40 0.07 0.06 0.00 -1.33 0.00 0.00 177.39 176.59 3ib6 n GLN 110 N -1.53 -5.43 -4.22 3.23 1.13 0.71 -5.03 117.38 106.24 3ib6 n GLN 110 Ca 0.06 0.80 -0.13 0.00 -1.94 0.00 0.00 57.00 55.79 3ib6 n GLN 110 Cb 0.34 -5.68 -0.10 0.00 0.11 0.00 0.00 30.24 24.91 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 -3.43 1.00 0.61 5.09 -4.36 -0.60 -5.02 121.20 114.49 3ib6 s ILE 111 Ca 0.09 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.34 3ib6 s ILE 111 Cb -0.01 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 3ib6 s ILE 111 CO 0.75 -0.78 1.03 -0.62 0.24 0.00 0.00 174.94 175.56 3ib6 s ASP 112 N -3.13 6.14 0.56 4.36 -1.08 -1.26 -4.49 116.67 117.77 3ib6 s ASP 112 Ca 0.15 1.52 0.33 0.00 -0.52 0.00 0.00 52.55 54.03 3ib6 s ASP 112 Cb 0.04 -2.49 1.62 0.00 -1.46 0.00 0.00 42.92 40.63 3ib6 s ASP 112 CO -0.01 -0.93 2.10 0.07 0.52 0.00 0.00 175.17 176.92 3ib6 h LYS 113 N -0.05 0.00 -0.00 4.34 2.10 -1.89 -1.50 116.57 119.57 3ib6 h LYS 113 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3ib6 h LYS 113 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3ib6 h LYS 113 CO 0.61 0.06 -0.08 0.25 -2.00 0.00 0.00 179.45 178.29 3ib6 n THR 114 N -3.34 0.00 1.08 0.07 -2.24 -1.26 -3.71 114.28 104.88 3ib6 n THR 114 Ca -0.01 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 3ib6 n THR 114 Cb 0.23 -0.30 0.16 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.22 2.12 -4.43 -0.78 1.02 -0.57 -4.47 120.64 112.31 3ib6 n GLU 115 Ca 0.12 -1.69 -0.26 0.00 -0.02 0.00 0.00 57.16 55.32 3ib6 n GLU 115 Cb 0.28 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.04 2.68 -0.00 0.62 0.00 -1.24 -0.93 121.76 120.83 3ib6 s ALA 116 Ca 0.29 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.53 3ib6 s ALA 116 Cb 0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 3ib6 s ALA 116 CO 0.33 0.36 -0.05 0.54 0.00 0.00 0.00 175.76 176.95 3ib6 s VAL 117 N -2.05 0.36 -0.19 0.00 0.11 -0.32 -3.81 120.40 114.51 3ib6 s VAL 117 Ca 0.25 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 3ib6 s VAL 117 Cb -0.07 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3ib6 s VAL 117 CO 0.13 0.11 0.08 -0.32 -3.33 0.00 0.00 175.10 171.77 3ib6 s MET 118 N -0.06 4.05 -0.16 1.54 1.75 -0.35 0.16 119.30 126.23 3ib6 s MET 118 Ca 0.01 -0.30 -0.00 0.00 -1.25 0.00 0.00 55.69 54.15 3ib6 s MET 118 Cb -0.02 -3.28 -0.00 0.00 2.84 0.00 0.00 34.83 34.37 3ib6 s MET 118 CO -0.00 0.29 -0.15 0.08 -0.65 0.00 0.00 175.02 174.58 3ib6 s VAL 119 N 0.36 2.66 0.10 10.11 1.01 0.74 -0.15 120.40 135.23 3ib6 s VAL 119 Ca 0.05 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 3ib6 s VAL 119 Cb -0.12 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.22 3ib6 s VAL 119 CO -0.01 0.51 1.14 -0.83 0.00 0.00 0.00 175.10 175.91 3ib6 s GLY 120 N 0.91 -0.00 -0.02 4.51 0.00 -0.91 -1.75 107.32 110.06 3ib6 s GLY 120 Ca -0.03 -0.15 0.19 0.00 0.00 0.00 0.00 44.72 44.73 3ib6 s GLY 120 CO -0.02 3.43 0.57 1.16 0.00 0.00 0.00 173.10 178.24 3ib6 n ASN 121 N -1.12 0.72 -4.51 1.64 6.94 -1.26 -2.58 115.26 115.08 3ib6 n ASN 121 Ca -0.01 -0.38 -0.37 0.00 -0.02 0.00 0.00 54.58 53.81 3ib6 n ASN 121 Cb 0.59 1.53 -0.12 0.00 -2.36 0.00 0.00 39.78 39.42 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 -3.10 4.67 0.06 5.53 2.01 -1.26 -0.58 115.64 122.96 3ib6 s THR 122 Ca -0.01 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 3ib6 s THR 122 Cb 0.13 -3.19 -0.12 0.00 0.01 0.00 0.00 72.50 69.33 3ib6 s THR 122 CO 0.79 0.32 1.43 0.15 -0.69 0.00 0.00 174.62 176.61 3ib6 h PHE 123 N 8.13 0.44 0.00 4.92 3.57 -0.93 -2.14 116.94 130.93 3ib6 h PHE 123 Ca -0.37 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 60.97 3ib6 h PHE 123 Cb 1.18 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3ib6 h PHE 123 CO 0.69 0.67 -0.23 0.93 -2.23 0.00 0.00 178.31 178.14 3ib6 h GLU 124 N 0.08 0.00 0.00 1.11 3.07 -1.93 -0.15 114.58 116.76 3ib6 h GLU 124 Ca 0.04 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.61 3ib6 h GLU 124 Cb 0.55 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 3ib6 h GLU 124 CO 0.02 0.23 -1.94 -1.13 -1.40 0.00 0.00 179.01 174.80 3ib6 n SER 125 N -4.06 1.31 -0.03 1.42 3.41 -1.22 -4.42 113.62 110.03 3ib6 n SER 125 Ca -0.02 0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 3ib6 n SER 125 Cb 0.30 -0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 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 -0.66 -0.05 0.00 4.04 3.32 -1.55 -3.18 116.42 118.34 3ib6 h ASP 126 Ca -0.44 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.11 3ib6 h ASP 126 Cb 1.36 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 3ib6 h ASP 126 CO -0.26 0.66 -0.03 0.40 -1.72 0.00 0.00 179.24 178.29 3ib6 h ILE 127 N -0.96 1.16 -0.39 0.35 1.08 -1.37 -1.44 117.51 115.95 3ib6 h ILE 127 Ca -0.01 -1.88 -0.01 0.00 -0.39 0.00 0.00 64.86 62.57 3ib6 h ILE 127 Cb 0.55 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.48 3ib6 h ILE 127 CO 0.01 0.39 0.18 0.40 -0.69 0.00 0.00 178.15 178.45 3ib6 h ILE 128 N -1.00 1.14 0.13 -0.67 1.08 -1.27 -0.60 117.51 116.32 3ib6 h ILE 128 Ca -0.01 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 3ib6 h ILE 128 Cb 0.67 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3ib6 h ILE 128 CO -0.00 0.16 -0.06 1.23 -0.69 0.00 0.00 178.15 178.78 3ib6 h GLY 129 N 0.65 -0.19 1.00 5.37 0.00 -1.58 -0.93 103.07 107.39 3ib6 h GLY 129 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3ib6 h GLY 129 CO -0.02 -0.07 0.21 0.00 0.00 0.00 0.00 176.54 176.66 3ib6 h ALA 130 N 0.67 0.41 -0.79 3.60 0.00 -1.02 -2.74 119.26 119.39 3ib6 h ALA 130 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ib6 h ALA 130 Cb 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ib6 h ALA 130 CO 0.03 -0.12 0.47 -0.97 0.00 0.00 0.00 179.25 178.66 3ib6 h ASN 131 N 0.43 0.95 0.80 0.00 -0.73 -0.92 -0.18 115.58 115.93 3ib6 h ASN 131 Ca 0.12 -0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.16 3ib6 h ASN 131 Cb -0.04 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 3ib6 h ASN 131 CO -0.02 0.74 -0.26 0.03 -0.37 0.00 0.00 177.43 177.55 3ib6 h ARG 132 N 1.08 0.00 -0.29 6.67 3.08 -1.07 -2.18 114.38 121.67 3ib6 h ARG 132 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3ib6 h ARG 132 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3ib6 h ARG 132 CO -0.05 0.26 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 3ib6 n ALA 133 N -2.26 2.47 -2.02 0.04 0.00 -0.77 -4.94 120.51 113.04 3ib6 n ALA 133 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 3ib6 n ALA 133 Cb 0.42 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 1.13 0.18 3.55 0.00 0.00 -0.78 -4.86 105.19 104.40 3ib6 n GLY 134 Ca 0.14 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.42 3.85 0.68 -0.61 1.01 -0.15 -4.29 121.20 119.27 3ib6 s ILE 135 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3ib6 s ILE 135 Cb 0.00 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.84 3ib6 s ILE 135 CO 0.00 0.55 1.21 1.41 0.00 0.00 0.00 174.94 178.11 3ib6 n HIS 136 N 2.89 1.58 -4.10 3.97 8.25 -1.25 -3.59 115.22 122.97 3ib6 n HIS 136 Ca -0.18 0.42 -0.14 0.00 -0.26 0.00 0.00 57.72 57.56 3ib6 n HIS 136 Cb 0.53 -2.21 -0.12 0.00 1.12 0.00 0.00 29.99 29.31 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 -1.58 0.58 -0.15 -1.41 0.00 -0.11 -1.20 121.76 117.89 3ib6 s ALA 137 Ca 0.80 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.11 3ib6 s ALA 137 Cb -0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3ib6 s ALA 137 CO 0.44 0.03 -0.14 0.42 0.00 0.00 0.00 175.76 176.50 3ib6 s ILE 138 N -1.05 2.84 -0.25 0.00 1.01 0.79 -1.12 121.20 123.43 3ib6 s ILE 138 Ca -0.06 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3ib6 s ILE 138 Cb -0.08 -2.20 0.06 0.00 0.01 0.00 0.00 42.46 40.25 3ib6 s ILE 138 CO 0.00 0.51 -0.10 0.86 0.00 0.00 0.00 174.94 176.22 3ib6 s TRP 139 N 0.67 2.94 0.22 3.97 -0.00 -0.62 -2.14 118.94 123.98 3ib6 s TRP 139 Ca -0.07 -2.09 -0.31 0.00 -0.00 0.00 0.00 56.10 53.62 3ib6 s TRP 139 Cb -0.16 -1.81 -0.11 0.00 -0.00 0.00 0.00 33.47 31.39 3ib6 s TRP 139 CO 0.02 -0.84 1.65 -0.51 -0.00 0.00 0.00 176.95 177.27 3ib6 s LEU 140 N 1.21 4.36 -0.02 5.86 1.43 -1.07 -2.25 118.68 128.21 3ib6 s LEU 140 Ca -0.07 2.82 0.11 0.00 -1.03 0.00 0.00 54.13 55.96 3ib6 s LEU 140 Cb -0.19 -3.61 -0.17 0.00 0.03 0.00 0.00 46.19 42.25 3ib6 s LEU 140 CO -0.06 -0.92 0.23 0.00 0.23 0.00 0.00 176.35 175.83 3ib6 n GLN 141 N 3.50 0.53 -1.32 1.70 1.13 0.95 -4.23 117.38 119.64 3ib6 n GLN 141 Ca 0.13 -0.09 -0.55 0.00 -1.94 0.00 0.00 57.00 54.55 3ib6 n GLN 141 Cb 0.37 -1.27 -0.12 0.00 0.11 0.00 0.00 30.24 29.33 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 -1.94 0.92 0.01 1.08 2.85 -0.49 -4.62 115.26 113.07 3ib6 n ASN 142 Ca -0.03 0.54 0.01 0.00 -0.11 0.00 0.00 54.58 54.98 3ib6 n ASN 142 Cb 0.34 -0.97 0.03 0.00 1.24 0.00 0.00 39.78 40.42 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 7.79 0.01 0.07 1.20 -0.02 -1.26 -0.25 135.00 142.53 3ib6 n PRO 143 Ca 0.54 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 62.47 3ib6 n PRO 143 Cb 0.02 -1.60 0.36 0.00 -0.02 0.00 0.00 33.50 32.26 3ib6 n PRO 143 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ib6 h GLU 144 N 0.00 0.36 0.00 -0.52 4.81 -1.98 -3.37 114.58 113.87 3ib6 h GLU 144 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ib6 h GLU 144 Cb 0.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3ib6 h GLU 144 CO 0.00 0.43 -0.78 1.33 -0.73 0.00 0.00 179.01 179.27 3ib6 n VAL 145 N -4.30 0.00 -1.79 0.32 0.24 0.65 -5.07 118.33 108.38 3ib6 n VAL 145 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3ib6 n VAL 145 Cb 0.24 0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 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 2.09 1.85 -0.11 0.00 1.43 0.25 -4.86 118.68 119.33 3ib6 s LEU 147 Ca 0.77 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 3ib6 s LEU 147 Cb -0.46 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 44.70 3ib6 s LEU 147 CO 0.34 0.09 0.27 -1.58 0.23 0.00 0.00 176.35 175.69 3ib6 s GLN 148 N 0.55 0.23 -0.02 1.70 0.74 -1.26 -0.17 119.66 121.42 3ib6 s GLN 148 Ca -0.16 0.57 0.10 0.00 0.05 0.00 0.00 55.36 55.92 3ib6 s GLN 148 Cb -0.17 -0.10 -0.23 0.00 1.10 0.00 0.00 33.01 33.61 3ib6 s GLN 148 CO 0.06 -0.17 0.75 -0.44 -0.55 0.00 0.00 175.29 174.94 3ib6 h ASP 149 N 7.24 0.05 -4.30 6.67 3.32 -1.99 -3.49 116.42 123.92 3ib6 h ASP 149 Ca -0.39 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 3ib6 h ASP 149 Cb 1.16 -0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.48 3ib6 h ASP 149 CO 0.35 1.08 0.00 -0.70 -1.72 0.00 0.00 179.24 178.25 3ib6 s GLU 150 N -2.61 0.77 -1.31 3.56 2.12 -1.26 -5.07 118.70 114.90 3ib6 s GLU 150 Ca -0.05 0.59 -0.17 0.00 0.36 0.00 0.00 54.97 55.70 3ib6 s GLU 150 Cb 0.08 0.37 0.07 0.00 0.26 0.00 0.00 34.13 34.92 3ib6 s GLU 150 CO 0.82 -0.15 1.77 0.54 -0.54 0.00 0.00 175.26 177.70 3ib6 n ARG 151 N 2.19 3.18 -2.15 4.30 1.74 -1.26 -4.95 116.66 119.71 3ib6 n ARG 151 Ca -0.16 -3.26 -0.36 0.00 -0.77 0.00 0.00 57.85 53.31 3ib6 n ARG 151 Cb 0.56 -3.45 0.02 0.00 -1.02 0.00 0.00 32.46 28.57 3ib6 n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ib6 s LEU 152 N 3.86 3.73 0.38 0.55 1.43 -1.26 -4.95 118.68 122.42 3ib6 s LEU 152 Ca 0.53 2.29 -0.27 0.00 -1.03 0.00 0.00 54.13 55.65 3ib6 s LEU 152 Cb 0.05 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 3ib6 s LEU 152 CO 0.06 -1.37 1.30 -2.84 0.23 0.00 0.00 176.35 173.73 3ib6 s PRO 153 N -3.26 4.08 0.34 1.29 0.02 -1.26 -5.04 135.00 131.16 3ib6 s PRO 153 Ca 0.74 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.98 3ib6 s PRO 153 Cb -0.27 -2.85 -0.07 0.00 0.02 0.00 0.00 34.50 31.33 3ib6 s PRO 153 CO 0.30 -0.40 0.04 -0.51 -0.33 0.00 0.00 177.00 176.10 3ib6 s LEU 154 N -2.24 2.33 0.17 -5.54 1.43 -1.26 -5.04 118.68 108.52 3ib6 s LEU 154 Ca 0.54 -1.36 0.10 0.00 -1.03 0.00 0.00 54.13 52.38 3ib6 s LEU 154 Cb -0.38 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 3ib6 s LEU 154 CO 0.50 -0.56 -0.21 0.68 0.23 0.00 0.00 176.35 176.99 3ib6 s VAL 155 N -3.17 2.04 -0.03 -1.59 -7.23 -1.26 -5.16 120.40 104.00 3ib6 s VAL 155 Ca 0.36 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3ib6 s VAL 155 Cb 0.09 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.10 3ib6 s VAL 155 CO 0.16 -0.20 -0.11 0.00 -0.31 0.00 0.00 175.10 174.64 3ib6 s ALA 156 N -1.78 1.02 0.90 1.32 0.00 -1.26 -4.02 121.76 117.94 3ib6 s ALA 156 Ca 0.17 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 3ib6 s ALA 156 Cb -0.07 -0.37 0.13 0.00 0.00 0.00 0.00 23.12 22.81 3ib6 s ALA 156 CO 0.08 0.17 1.12 -1.25 0.00 0.00 0.00 175.76 175.87 3ib6 s PRO 157 N 0.17 1.24 1.08 0.00 0.04 -1.26 -5.07 135.00 131.21 3ib6 s PRO 157 Ca -0.03 0.44 -0.14 0.00 0.04 0.00 0.00 61.00 61.30 3ib6 s PRO 157 Cb -0.09 -1.84 0.23 0.00 0.04 0.00 0.00 34.50 32.84 3ib6 s PRO 157 CO 0.01 -2.16 1.08 -1.25 0.04 0.00 0.00 177.00 174.72 3ib6 s PRO 158 N -5.18 -0.26 0.21 0.56 0.04 -1.26 -5.06 135.00 124.05 3ib6 s PRO 158 Ca 0.63 0.40 0.08 0.00 0.04 0.00 0.00 61.00 62.15 3ib6 s PRO 158 Cb -0.15 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 3ib6 s PRO 158 CO 0.54 -3.17 0.03 -0.06 0.04 0.00 0.00 177.00 174.38 3ib6 s PHE 159 N -2.89 2.85 -0.23 0.56 0.08 -1.26 -4.84 117.98 112.25 3ib6 s PHE 159 Ca 0.67 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.58 3ib6 s PHE 159 Cb -0.18 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 40.99 3ib6 s PHE 159 CO 0.58 0.55 -0.08 0.08 -0.10 0.00 0.00 175.22 176.24 3ib6 s VAL 160 N -1.94 1.75 -0.30 -0.44 1.01 -1.26 -0.93 120.40 118.30 3ib6 s VAL 160 Ca 0.29 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 3ib6 s VAL 160 Cb -0.08 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3ib6 s VAL 160 CO 0.20 -0.01 0.13 -0.63 0.00 0.00 0.00 175.10 174.80 3ib6 s ILE 161 N 1.31 4.50 0.12 2.22 -1.09 -0.28 -4.96 121.20 123.02 3ib6 s ILE 161 Ca -0.06 -0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 57.65 3ib6 s ILE 161 Cb -0.18 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.36 3ib6 s ILE 161 CO -0.06 0.10 1.00 -2.16 -1.23 0.00 0.00 174.94 172.59 3ib6 s PRO 162 N 1.60 4.66 0.12 2.79 0.04 -1.26 -1.59 135.00 141.37 3ib6 s PRO 162 Ca 0.05 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.64 3ib6 s PRO 162 Cb -0.17 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 3ib6 s PRO 162 CO 0.06 0.16 -0.08 0.14 0.04 0.00 0.00 177.00 177.32 3ib6 s VAL 163 N -0.01 0.90 -0.05 -0.36 -7.23 -0.95 -4.91 120.40 107.79 3ib6 s VAL 163 Ca 0.48 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.46 3ib6 s VAL 163 Cb -0.25 -1.78 -0.14 0.00 0.56 0.00 0.00 36.38 34.77 3ib6 s VAL 163 CO 0.31 -0.80 0.79 -0.25 -0.31 0.00 0.00 175.10 174.84 3ib6 h TRP 164 N 2.87 -0.24 -1.18 2.82 2.91 -1.92 0.27 115.95 121.49 3ib6 h TRP 164 Ca -0.36 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.66 3ib6 h TRP 164 Cb 1.18 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.91 3ib6 h TRP 164 CO 0.61 0.15 0.00 -3.47 -1.03 0.00 0.00 178.44 174.71 3ib6 n ASP 165 N -4.94 0.00 -0.16 2.65 -0.08 -1.26 -1.40 116.55 111.35 3ib6 n ASP 165 Ca -0.07 -0.18 -0.10 0.00 -1.51 0.00 0.00 54.79 52.94 3ib6 n ASP 165 Cb 0.25 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.71 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 0.75 -1.00 -2.67 3.38 -1.91 -2.32 115.31 111.55 3ib6 h LEU 166 Ca 0.00 -0.27 0.39 0.00 0.09 0.00 0.00 57.88 58.09 3ib6 h LEU 166 Cb 0.00 -0.20 -0.18 0.00 0.09 0.00 0.00 40.66 40.37 3ib6 h LEU 166 CO 0.00 0.84 0.46 0.00 0.09 0.00 0.00 178.44 179.82 3ib6 h ALA 167 N 0.94 2.01 -0.02 1.53 0.00 -1.88 0.29 119.26 122.13 3ib6 h ALA 167 Ca 0.14 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ib6 h ALA 167 Cb 0.42 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ib6 h ALA 167 CO 0.01 -0.89 0.00 -0.25 0.00 0.00 0.00 179.25 178.12 3ib6 n ASP 168 N -5.30 1.17 -0.04 0.00 8.00 -0.87 -4.29 116.55 115.22 3ib6 n ASP 168 Ca 0.36 -1.41 -0.14 0.00 0.71 0.00 0.00 54.79 54.31 3ib6 n ASP 168 Cb 1.20 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 42.21 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 1.82 1.38 -0.85 2.53 2.07 -0.99 -2.94 116.25 119.27 3ib6 h VAL 169 Ca 0.00 -1.44 0.13 0.00 0.82 0.00 0.00 66.70 66.22 3ib6 h VAL 169 Cb 0.39 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 32.15 3ib6 h VAL 169 CO 0.00 0.41 0.45 -0.65 0.02 0.00 0.00 177.57 177.80 3ib6 h PRO 170 N -0.13 0.65 -0.61 1.57 0.11 -1.75 0.44 132.00 132.27 3ib6 h PRO 170 Ca 0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3ib6 h PRO 170 Cb 0.75 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 3ib6 h PRO 170 CO 0.04 0.43 0.15 0.93 -0.21 0.00 0.00 178.00 179.33 3ib6 h GLU 171 N 0.67 0.96 -0.01 1.05 3.07 -1.83 -2.31 114.58 116.17 3ib6 h GLU 171 Ca 0.45 -0.21 -0.11 0.00 -0.50 0.00 0.00 59.36 58.99 3ib6 h GLU 171 Cb 0.59 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3ib6 h GLU 171 CO -0.34 0.85 -0.50 0.00 -1.40 0.00 0.00 179.01 177.63 3ib6 h ALA 172 N 1.24 1.16 -0.33 3.43 0.00 -1.04 -1.93 119.26 121.80 3ib6 h ALA 172 Ca 0.20 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3ib6 h ALA 172 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ib6 h ALA 172 CO 0.00 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 179.82 3ib6 h LEU 173 N 0.02 0.56 -0.44 0.00 3.38 -0.45 -2.38 115.31 116.00 3ib6 h LEU 173 Ca -0.00 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 3ib6 h LEU 173 Cb 0.89 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ib6 h LEU 173 CO 0.07 0.71 -0.63 -0.07 0.09 0.00 0.00 178.44 178.61 3ib6 h LEU 174 N 0.39 0.61 -0.53 1.67 3.38 -1.30 0.32 115.31 119.85 3ib6 h LEU 174 Ca 0.10 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.79 3ib6 h LEU 174 Cb 0.41 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3ib6 h LEU 174 CO 0.01 1.09 0.17 0.25 0.09 0.00 0.00 178.44 180.05 3ib6 h LEU 175 N 0.39 0.15 -0.27 1.67 6.46 -1.33 -1.32 115.31 121.07 3ib6 h LEU 175 Ca -0.01 0.07 -0.21 0.00 -0.12 0.00 0.00 57.88 57.61 3ib6 h LEU 175 Cb 1.19 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 3ib6 h LEU 175 CO 0.12 0.11 -0.81 -0.07 -0.62 0.00 0.00 178.44 177.17 3ib6 h LEU 176 N 0.34 0.65 -0.52 2.25 3.38 -0.77 -2.68 115.31 117.97 3ib6 h LEU 176 Ca 0.26 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 57.88 3ib6 h LEU 176 Cb 0.31 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 3ib6 h LEU 176 CO -0.28 1.22 -0.06 0.11 0.09 0.00 0.00 178.44 179.52 3ib6 h LYS 177 N 0.35 0.06 -0.83 1.13 1.57 -0.24 0.90 116.57 119.51 3ib6 h LYS 177 Ca -0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ib6 h LYS 177 Cb 1.41 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 3ib6 h LYS 177 CO 0.15 0.04 0.54 1.57 -0.57 0.00 0.00 179.45 181.17 3ib6 h LYS 178 N 0.06 1.10 0.08 3.15 -0.00 -0.96 -2.26 116.57 117.75 3ib6 h LYS 178 Ca 0.26 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.65 60.83 3ib6 h LYS 178 Cb 0.40 -0.24 0.00 0.00 -0.00 0.00 0.00 32.23 32.38 3ib6 h LYS 178 CO -0.48 0.74 -0.04 0.82 -0.00 0.00 0.00 179.45 180.49 3ib6 h ILE 179 N 1.13 1.03 0.00 0.07 1.08 -1.14 -3.52 117.51 116.16 3ib6 h ILE 179 Ca 0.30 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3ib6 h ILE 179 Cb -0.11 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3ib6 h ILE 179 CO -0.06 0.10 0.00 -1.20 -0.69 0.00 0.00 178.15 176.30