#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i76 s ARG 3 N 0.00 0.97 0.62 -1.58 3.00 -1.26 -4.97 118.95 115.73 3i76 s ARG 3 Ca 0.00 -1.47 -0.19 0.00 0.00 0.00 0.00 55.73 54.07 3i76 s ARG 3 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 34.95 32.74 3i76 s ARG 3 CO 0.00 -1.05 1.26 0.71 0.00 0.00 0.00 175.30 176.22 3i76 s TYR 4 N 1.11 2.23 -0.02 -0.53 2.02 -1.26 -4.85 117.35 116.04 3i76 s TYR 4 Ca 0.13 1.49 0.04 0.00 -0.37 0.00 0.00 57.07 58.36 3i76 s TYR 4 Cb -0.20 -3.61 -0.06 0.00 -0.40 0.00 0.00 41.96 37.69 3i76 s TYR 4 CO -0.14 -2.62 0.06 0.54 -1.57 0.00 0.00 175.55 171.82 3i76 n ARG 5 N -1.70 1.34 -4.30 -0.62 1.74 0.12 -4.96 116.66 108.28 3i76 n ARG 5 Ca 0.15 -0.02 -0.26 0.00 -0.77 0.00 0.00 57.85 56.94 3i76 n ARG 5 Cb 0.49 -1.10 -0.17 0.00 -1.02 0.00 0.00 32.46 30.66 3i76 n ARG 5 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i76 s THR 6 N -2.21 1.11 -0.15 0.55 2.01 -0.75 -1.42 115.64 114.79 3i76 s THR 6 Ca -0.02 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3i76 s THR 6 Cb 0.02 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.48 3i76 s THR 6 CO 0.16 0.36 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.48 3i76 s LEU 7 N 1.09 2.13 -0.28 4.42 1.43 0.02 -1.35 118.68 126.15 3i76 s LEU 7 Ca -0.06 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3i76 s LEU 7 Cb -0.14 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3i76 s LEU 7 CO -0.01 0.07 0.11 -0.76 0.23 0.00 0.00 176.35 175.99 3i76 s LEU 8 N 0.88 3.78 -0.18 1.79 1.43 0.01 -0.62 118.68 125.77 3i76 s LEU 8 Ca -0.05 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3i76 s LEU 8 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3i76 s LEU 8 CO -0.03 -0.11 -0.02 -0.36 0.23 0.00 0.00 176.35 176.06 3i76 s PHE 9 N 1.62 3.03 0.80 0.29 0.08 0.12 -0.39 117.98 123.52 3i76 s PHE 9 Ca 0.06 -0.39 -0.14 0.00 0.12 0.00 0.00 56.93 56.58 3i76 s PHE 9 Cb -0.16 -2.01 0.07 0.00 -0.57 0.00 0.00 43.02 40.34 3i76 s PHE 9 CO 0.05 -0.14 1.16 -3.47 -0.10 0.00 0.00 175.22 172.72 3i76 n ASP 10 N 3.87 0.93 -0.03 1.36 2.03 -0.52 -1.21 116.55 122.98 3i76 n ASP 10 Ca -0.17 0.60 -0.03 0.00 0.52 0.00 0.00 54.79 55.71 3i76 n ASP 10 Cb 0.52 -1.49 -0.01 0.00 -0.72 0.00 0.00 41.12 39.42 3i76 n ASP 10 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3i76 n VAL 11 N -3.16 0.60 -2.76 5.18 0.31 -1.26 -4.03 118.33 113.21 3i76 n VAL 11 Ca 0.13 0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 64.41 3i76 n VAL 11 Cb 0.50 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3i76 n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i76 s ASP 12 N -4.56 7.09 -1.56 4.52 1.01 -1.26 -1.64 116.67 120.28 3i76 s ASP 12 Ca -0.08 1.35 0.00 0.00 0.71 0.00 0.00 52.55 54.53 3i76 s ASP 12 Cb 0.01 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.43 3i76 s ASP 12 CO 0.12 -0.48 0.00 0.47 0.21 0.00 0.00 175.17 175.49 3i76 n ASP 13 N 5.41 -5.35 -0.02 0.27 8.00 0.77 -4.80 116.55 120.84 3i76 n ASP 13 Ca 0.08 0.36 -0.06 0.00 0.71 0.00 0.00 54.79 55.89 3i76 n ASP 13 Cb 0.48 -4.14 -0.02 0.00 -0.02 0.00 0.00 41.12 37.42 3i76 n ASP 13 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i76 n THR 14 N -2.38 1.18 -0.01 -3.53 -1.04 -0.99 -4.61 114.28 102.90 3i76 n THR 14 Ca -0.15 0.20 0.01 0.00 -2.04 0.00 0.00 64.05 62.07 3i76 n THR 14 Cb 0.58 -1.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.22 3i76 n THR 14 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3i76 n ILE 15 N -3.80 0.09 -4.41 12.58 -5.35 -0.65 -4.84 119.36 112.98 3i76 n ILE 15 Ca -0.09 -0.12 -0.32 0.00 -0.27 0.00 0.00 62.75 61.94 3i76 n ILE 15 Cb 0.31 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.12 3i76 n ILE 15 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i76 s LEU 16 N -3.61 3.26 -1.19 7.28 1.43 -0.79 -1.70 118.68 123.36 3i76 s LEU 16 Ca -0.02 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 3i76 s LEU 16 Cb 0.02 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 44.50 3i76 s LEU 16 CO 0.18 0.28 1.51 -0.62 0.23 0.00 0.00 176.35 177.94 3i76 s ASP 17 N -1.44 6.87 0.26 2.29 -1.08 0.88 -0.16 116.67 124.28 3i76 s ASP 17 Ca 0.18 -2.52 0.03 0.00 -0.52 0.00 0.00 52.55 49.72 3i76 s ASP 17 Cb -0.11 -2.48 0.33 0.00 -1.46 0.00 0.00 42.92 39.19 3i76 s ASP 17 CO 0.08 -1.02 1.63 0.15 0.52 0.00 0.00 175.17 176.53 3i76 h PHE 18 N 7.79 0.41 -0.70 -5.34 3.57 -1.91 -2.66 116.94 118.11 3i76 h PHE 18 Ca 0.33 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.79 3i76 h PHE 18 Cb 0.90 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 3i76 h PHE 18 CO 1.25 0.74 0.36 1.96 -2.23 0.00 0.00 178.31 180.39 3i76 h GLN 19 N 0.28 0.62 -0.08 1.11 1.08 -1.97 0.13 115.11 116.27 3i76 h GLN 19 Ca 0.02 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3i76 h GLN 19 Cb 0.91 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 3i76 h GLN 19 CO 0.08 0.41 0.02 0.00 -0.95 0.00 0.00 178.83 178.39 3i76 h ALA 20 N 1.40 0.11 -0.39 3.87 0.00 -1.92 -0.10 119.26 122.23 3i76 h ALA 20 Ca 0.33 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3i76 h ALA 20 Cb 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3i76 h ALA 20 CO -0.24 -0.27 0.12 0.00 0.00 0.00 0.00 179.25 178.86 3i76 h ALA 21 N 0.82 0.45 -0.26 0.00 0.00 -1.11 -2.04 119.26 117.12 3i76 h ALA 21 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i76 h ALA 21 Cb 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i76 h ALA 21 CO -0.00 -0.28 0.11 1.49 0.00 0.00 0.00 179.25 180.58 3i76 h GLU 22 N 0.27 0.38 -0.43 0.00 4.81 -0.69 -0.10 114.58 118.82 3i76 h GLU 22 Ca 0.18 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 3i76 h GLU 22 Cb 0.18 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 3i76 h GLU 22 CO -0.20 0.40 0.03 0.00 -0.73 0.00 0.00 179.01 178.50 3i76 h ALA 23 N 0.97 0.42 -0.37 2.92 0.00 -0.74 -0.51 119.26 121.95 3i76 h ALA 23 Ca 0.09 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3i76 h ALA 23 Cb 0.15 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i76 h ALA 23 CO -0.01 -0.37 0.02 1.25 0.00 0.00 0.00 179.25 180.14 3i76 h LEU 24 N 0.14 0.63 -0.81 0.00 5.85 -1.26 -2.82 115.31 117.04 3i76 h LEU 24 Ca 0.21 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3i76 h LEU 24 Cb 0.30 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3i76 h LEU 24 CO -0.33 0.77 -0.07 0.00 -0.34 0.00 0.00 178.44 178.47 3i76 h ALA 25 N 0.88 0.99 -0.37 1.25 0.00 -0.55 -0.68 119.26 120.78 3i76 h ALA 25 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3i76 h ALA 25 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3i76 h ALA 25 CO 0.02 0.61 0.18 -0.07 0.00 0.00 0.00 179.25 179.98 3i76 h LEU 26 N 0.75 0.49 -0.14 0.00 3.38 -1.13 0.79 115.31 119.45 3i76 h LEU 26 Ca 0.13 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i76 h LEU 26 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3i76 h LEU 26 CO 0.03 0.49 0.07 -0.09 0.09 0.00 0.00 178.44 179.03 3i76 h ARG 27 N 0.47 0.15 -0.40 1.13 2.43 -1.20 -0.42 114.38 116.54 3i76 h ARG 27 Ca 0.13 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3i76 h ARG 27 Cb 0.13 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3i76 h ARG 27 CO -0.02 0.10 0.07 -0.07 -1.51 0.00 0.00 179.97 178.54 3i76 h LEU 28 N 0.15 0.56 -0.21 3.80 3.38 -0.90 -0.27 115.31 121.83 3i76 h LEU 28 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i76 h LEU 28 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3i76 h LEU 28 CO -0.04 0.58 0.07 0.25 0.09 0.00 0.00 178.44 179.40 3i76 h LEU 29 N 0.58 0.30 -0.56 1.67 5.85 -0.52 -0.61 115.31 122.02 3i76 h LEU 29 Ca 0.13 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 3i76 h LEU 29 Cb 0.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3i76 h LEU 29 CO 0.00 0.41 -0.51 -0.26 -0.34 0.00 0.00 178.44 177.74 3i76 h PHE 30 N 0.18 0.68 -0.35 1.25 -1.00 -0.68 -1.39 116.94 115.64 3i76 h PHE 30 Ca 0.07 -0.23 0.05 0.00 2.81 0.00 0.00 57.97 60.67 3i76 h PHE 30 Cb 0.21 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 3i76 h PHE 30 CO -0.00 0.95 0.08 0.93 -1.61 0.00 0.00 178.31 178.66 3i76 h GLU 31 N 0.43 0.20 -0.82 1.51 5.08 -1.01 -0.68 114.58 119.30 3i76 h GLU 31 Ca 0.02 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 3i76 h GLU 31 Cb 1.04 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 3i76 h GLU 31 CO 0.10 0.13 0.43 0.22 -1.00 0.00 0.00 179.01 178.88 3i76 h ASP 32 N 0.21 0.53 0.12 1.42 3.58 -0.78 -2.18 116.42 119.32 3i76 h ASP 32 Ca 0.16 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.70 3i76 h ASP 32 Cb 0.18 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3i76 h ASP 32 CO -0.21 0.25 -0.08 0.00 -2.88 0.00 0.00 179.24 176.32 3i76 n GLN 33 N -4.85 1.18 -3.87 0.28 1.13 -0.55 -4.94 117.38 105.76 3i76 n GLN 33 Ca 0.15 -0.58 -0.29 0.00 -1.94 0.00 0.00 57.00 54.34 3i76 n GLN 33 Cb 0.38 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.28 3i76 n GLN 33 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3i76 n ASN 34 N -0.40 -5.06 -4.31 1.08 5.15 -0.35 -5.00 115.26 106.37 3i76 n ASN 34 Ca 0.17 -0.74 -0.34 0.00 -0.60 0.00 0.00 54.58 53.06 3i76 n ASN 34 Cb 0.31 -4.06 -0.14 0.00 -0.53 0.00 0.00 39.78 35.35 3i76 n ASN 34 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i76 s ILE 35 N -3.30 3.26 0.25 -1.44 1.01 -0.69 -5.05 121.20 115.24 3i76 s ILE 35 Ca 0.65 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 60.45 3i76 s ILE 35 Cb -0.32 -2.46 -0.12 0.00 0.01 0.00 0.00 42.46 39.57 3i76 s ILE 35 CO 0.82 0.45 1.60 -2.65 0.00 0.00 0.00 174.94 175.16 3i76 n PRO 36 N 4.54 2.58 -3.80 2.79 -0.02 -1.26 -4.56 135.00 135.27 3i76 n PRO 36 Ca -0.18 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 3i76 n PRO 36 Cb 0.51 -2.71 -0.13 0.00 -0.02 0.00 0.00 33.50 31.16 3i76 n PRO 36 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i76 s LEU 37 N 0.17 3.85 0.34 2.45 2.96 -1.26 -5.09 118.68 122.10 3i76 s LEU 37 Ca 0.69 -0.87 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3i76 s LEU 37 Cb -0.54 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 3i76 s LEU 37 CO 0.43 -0.22 0.49 0.42 -1.32 0.00 0.00 176.35 176.15 3i76 s THR 38 N 1.43 4.28 0.29 3.68 -4.23 -1.26 -4.98 115.64 114.85 3i76 s THR 38 Ca 0.01 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3i76 s THR 38 Cb -0.18 -3.50 0.15 0.00 1.34 0.00 0.00 72.50 70.31 3i76 s THR 38 CO 0.01 -0.22 1.83 -1.13 -0.54 0.00 0.00 174.62 174.57 3i76 h ASN 39 N 0.85 0.69 -0.72 3.99 -0.73 -2.00 -1.65 115.58 116.03 3i76 h ASN 39 Ca -0.47 -0.13 -0.02 0.00 1.87 0.00 0.00 56.30 57.55 3i76 h ASN 39 Cb 1.25 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.63 3i76 h ASN 39 CO 0.55 0.71 0.38 -0.78 -0.37 0.00 0.00 177.43 177.92 3i76 h ASP 40 N 0.71 0.91 -0.59 1.15 3.58 -2.00 -1.70 116.42 118.49 3i76 h ASP 40 Ca 0.15 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 3i76 h ASP 40 Cb 0.32 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 3i76 h ASP 40 CO 0.00 0.76 0.22 0.24 -2.88 0.00 0.00 179.24 177.59 3i76 h MET 41 N 0.99 0.88 -0.51 0.28 2.86 -1.80 -1.10 114.93 116.53 3i76 h MET 41 Ca 0.25 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 3i76 h MET 41 Cb 0.07 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 3i76 h MET 41 CO -0.04 0.76 0.24 0.87 1.06 0.00 0.00 176.91 179.80 3i76 h LYS 42 N 0.81 0.45 -0.68 1.72 1.57 -1.10 0.44 116.57 119.78 3i76 h LYS 42 Ca 0.19 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3i76 h LYS 42 Cb 0.22 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3i76 h LYS 42 CO -0.01 0.30 0.42 0.00 -0.57 0.00 0.00 179.45 179.58 3i76 h ALA 43 N 1.29 0.86 -0.45 3.86 0.00 -0.91 -1.85 119.26 122.07 3i76 h ALA 43 Ca 0.23 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3i76 h ALA 43 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i76 h ALA 43 CO -0.18 0.33 -0.26 1.96 0.00 0.00 0.00 179.25 181.09 3i76 h GLN 44 N 0.92 0.98 -0.62 0.00 1.08 -0.92 -2.22 115.11 114.34 3i76 h GLN 44 Ca 0.24 -0.45 0.11 0.00 -1.45 0.00 0.00 58.65 57.11 3i76 h GLN 44 Cb -0.04 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.29 3i76 h GLN 44 CO -0.05 1.12 0.17 -0.92 -0.95 0.00 0.00 178.83 178.21 3i76 h TYR 45 N 0.83 0.29 -0.32 2.96 3.20 -0.72 0.65 116.97 123.85 3i76 h TYR 45 Ca 0.10 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 3i76 h TYR 45 Cb 0.85 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3i76 h TYR 45 CO 0.06 0.01 -0.33 1.57 -1.64 0.00 0.00 178.16 177.83 3i76 h LYS 46 N 0.32 0.72 -0.44 1.82 5.09 -1.09 0.34 116.57 123.33 3i76 h LYS 46 Ca 0.32 -0.34 -0.10 0.00 0.09 0.00 0.00 60.65 60.63 3i76 h LYS 46 Cb 0.46 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.77 3i76 h LYS 46 CO -0.38 0.95 -0.10 1.15 -2.09 0.00 0.00 179.45 178.98 3i76 h THR 47 N 0.60 1.27 -0.10 0.07 2.02 -0.78 -0.75 112.91 115.24 3i76 h THR 47 Ca 0.06 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 3i76 h THR 47 Cb 0.86 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3i76 h THR 47 CO 0.07 0.41 0.02 0.40 0.37 0.00 0.00 175.52 176.80 3i76 h ILE 48 N 0.67 1.20 -0.03 3.11 2.04 -0.57 -0.91 117.51 123.03 3i76 h ILE 48 Ca 0.11 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3i76 h ILE 48 Cb 0.63 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3i76 h ILE 48 CO 0.04 0.18 0.01 -1.13 0.00 0.00 0.00 178.15 177.26 3i76 h ASN 49 N -0.05 0.04 -0.94 1.72 -1.24 -0.24 -1.00 115.58 113.86 3i76 h ASN 49 Ca 0.03 -0.10 0.08 0.00 0.71 0.00 0.00 56.30 57.02 3i76 h ASN 49 Cb 0.27 -0.01 -0.07 0.00 0.73 0.00 0.00 38.32 39.24 3i76 h ASN 49 CO 0.00 0.13 0.61 1.56 -1.29 0.00 0.00 177.43 178.44 3i76 h GLN 50 N -0.06 1.00 -0.44 6.67 4.20 -1.11 -0.70 115.11 124.66 3i76 h GLN 50 Ca 0.01 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3i76 h GLN 50 Cb 0.10 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3i76 h GLN 50 CO -0.00 0.66 -0.02 0.78 -0.67 0.00 0.00 178.83 179.58 3i76 h GLY 51 N 1.03 0.86 0.86 3.46 0.00 -0.79 -1.32 103.07 107.16 3i76 h GLY 51 Ca 0.42 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3i76 h GLY 51 CO -0.18 0.59 0.04 1.41 0.00 0.00 0.00 176.54 178.41 3i76 h LEU 52 N 0.63 0.16 -0.71 3.11 3.38 -0.57 -1.31 115.31 120.01 3i76 h LEU 52 Ca 0.12 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3i76 h LEU 52 Cb 0.52 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3i76 h LEU 52 CO 0.03 0.30 0.46 -0.50 0.09 0.00 0.00 178.44 178.81 3i76 h TRP 53 N 0.02 0.87 -0.75 1.13 4.06 -1.13 -0.94 115.95 119.21 3i76 h TRP 53 Ca 0.04 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.03 3i76 h TRP 53 Cb 0.19 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 28.02 3i76 h TRP 53 CO -0.01 0.52 0.48 0.00 -3.56 0.00 0.00 178.44 175.88 3i76 h ARG 54 N 0.92 0.94 -0.61 0.49 3.08 -1.08 0.68 114.38 118.80 3i76 h ARG 54 Ca 0.27 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.29 3i76 h ARG 54 Cb -0.05 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 3i76 h ARG 54 CO -0.08 0.62 0.38 0.00 -1.07 0.00 0.00 179.97 179.82 3i76 h ALA 55 N 1.30 0.78 0.03 0.04 0.00 -0.74 -0.81 119.26 119.87 3i76 h ALA 55 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i76 h ALA 55 Cb -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3i76 h ALA 55 CO -0.09 0.15 -0.02 0.35 0.00 0.00 0.00 179.25 179.63 3i76 h PHE 56 N 0.77 -0.06 -0.84 0.00 3.57 -0.68 -0.39 116.94 119.31 3i76 h PHE 56 Ca 0.24 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.89 3i76 h PHE 56 Cb -0.02 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 3i76 h PHE 56 CO -0.05 -0.04 0.55 0.93 -2.23 0.00 0.00 178.31 177.48 3i76 h GLU 57 N -0.05 0.55 -0.02 1.11 5.08 -0.53 0.09 114.58 120.80 3i76 h GLU 57 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i76 h GLU 57 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3i76 h GLU 57 CO -0.00 0.36 0.00 0.39 -1.00 0.00 0.00 179.01 178.76 3i76 n GLU 58 N -4.53 1.48 -1.21 2.33 1.02 -0.34 -4.47 120.64 114.93 3i76 n GLU 58 Ca 0.16 -0.70 -0.00 0.00 -0.02 0.00 0.00 57.16 56.60 3i76 n GLU 58 Cb 0.51 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3i76 n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i76 n GLY 59 N 1.12 0.40 0.30 0.62 0.00 0.02 -4.93 105.19 102.71 3i76 n GLY 59 Ca 0.20 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.29 3i76 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i76 n LYS 60 N -2.60 0.73 -3.71 1.61 4.76 -0.21 -4.96 118.16 113.77 3i76 n LYS 60 Ca -0.00 -0.60 -0.14 0.00 -2.87 0.00 0.00 58.31 54.70 3i76 n LYS 60 Cb 0.11 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.73 3i76 n LYS 60 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3i76 s MET 61 N -2.69 0.67 0.70 1.97 1.75 -1.22 -4.95 119.30 115.53 3i76 s MET 61 Ca 0.14 0.15 -0.11 0.00 -1.25 0.00 0.00 55.69 54.62 3i76 s MET 61 Cb 0.17 0.31 0.01 0.00 2.84 0.00 0.00 34.83 38.16 3i76 s MET 61 CO 0.69 -0.16 1.06 0.95 -0.65 0.00 0.00 175.02 176.91 3i76 s THR 62 N -0.77 3.94 0.30 10.11 -4.23 -1.26 -4.22 115.64 119.50 3i76 s THR 62 Ca -0.08 0.63 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 3i76 s THR 62 Cb -0.04 -3.43 0.05 0.00 1.34 0.00 0.00 72.50 70.42 3i76 s THR 62 CO 0.04 -0.82 1.71 -0.09 -0.54 0.00 0.00 174.62 174.92 3i76 h ARG 63 N -0.72 0.28 -0.66 3.99 2.43 -1.98 -2.33 114.38 115.39 3i76 h ARG 63 Ca -0.44 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 58.63 3i76 h ARG 63 Cb 1.22 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 3i76 h ARG 63 CO 0.58 0.62 0.41 -0.44 -1.51 0.00 0.00 179.97 179.63 3i76 h ASP 64 N 0.24 0.68 -0.53 -3.80 3.32 -2.00 -1.98 116.42 112.34 3i76 h ASP 64 Ca 0.03 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3i76 h ASP 64 Cb 0.77 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3i76 h ASP 64 CO 0.06 0.47 0.25 -0.08 -1.72 0.00 0.00 179.24 178.22 3i76 h GLU 65 N 0.81 0.77 -0.05 3.56 4.81 -1.85 0.13 114.58 122.75 3i76 h GLU 65 Ca 0.26 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3i76 h GLU 65 Cb 0.01 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 3i76 h GLU 65 CO -0.10 0.64 -0.43 0.28 -0.73 0.00 0.00 179.01 178.66 3i76 h VAL 66 N 0.71 0.13 -0.06 0.32 2.07 -0.90 -1.32 116.25 117.19 3i76 h VAL 66 Ca 0.18 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.53 3i76 h VAL 66 Cb 0.13 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3i76 h VAL 66 CO -0.02 0.00 -0.72 -0.37 0.02 0.00 0.00 177.57 176.48 3i76 h VAL 67 N -0.55 1.40 -0.01 2.57 -1.51 -1.21 -2.60 116.25 114.34 3i76 h VAL 67 Ca 0.05 -2.17 0.00 0.00 -1.23 0.00 0.00 66.70 63.35 3i76 h VAL 67 Cb 0.65 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 3i76 h VAL 67 CO -0.35 0.65 -0.14 0.59 -1.23 0.00 0.00 177.57 177.08 3i76 n ASN 68 N -3.82 0.73 -0.00 4.19 3.02 0.45 -4.01 115.26 115.82 3i76 n ASN 68 Ca -0.04 -0.78 0.02 0.00 -0.03 0.00 0.00 54.58 53.75 3i76 n ASN 68 Cb 0.70 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.84 3i76 n ASN 68 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i76 n THR 69 N -0.75 0.00 -0.19 3.41 -2.24 -0.51 -2.63 114.28 111.37 3i76 n THR 69 Ca 0.15 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 3i76 n THR 69 Cb 0.30 0.62 0.09 0.00 -2.10 0.00 0.00 70.33 69.25 3i76 n THR 69 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3i76 h ARG 70 N 0.00 0.36 -0.00 -0.78 0.11 -1.60 0.14 114.38 112.61 3i76 h ARG 70 Ca 0.00 -0.02 -0.23 0.00 0.10 0.00 0.00 59.98 59.83 3i76 h ARG 70 Cb 0.12 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.13 3i76 h ARG 70 CO 0.00 0.24 -0.96 0.74 0.10 0.00 0.00 179.97 180.09 3i76 h PHE 71 N 0.37 0.69 -0.46 4.08 0.04 -1.86 -1.23 116.94 118.57 3i76 h PHE 71 Ca 0.29 -0.38 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 3i76 h PHE 71 Cb 0.35 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3i76 h PHE 71 CO -0.18 1.20 0.04 0.66 -0.60 0.00 0.00 178.31 179.43 3i76 h SER 72 N 0.26 0.77 -0.70 2.17 4.64 -1.79 -1.46 113.55 117.44 3i76 h SER 72 Ca -0.09 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3i76 h SER 72 Cb 1.60 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.45 3i76 h SER 72 CO 0.17 0.86 0.34 0.00 -0.87 0.00 0.00 176.83 177.32 3i76 h ALA 73 N 0.94 0.91 0.29 5.18 0.00 -0.67 -1.75 119.26 124.15 3i76 h ALA 73 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i76 h ALA 73 Cb 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i76 h ALA 73 CO 0.02 0.47 -0.14 1.25 0.00 0.00 0.00 179.25 180.85 3i76 h LEU 74 N 0.98 -0.33 -1.39 0.00 5.85 -1.17 -3.15 115.31 116.11 3i76 h LEU 74 Ca 0.24 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3i76 h LEU 74 Cb 0.12 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3i76 h LEU 74 CO -0.03 -0.16 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.55 3i76 h LEU 75 N -0.48 0.00 -0.72 2.25 3.38 -1.16 -2.42 115.31 116.17 3i76 h LEU 75 Ca -0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3i76 h LEU 75 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3i76 h LEU 75 CO 0.06 0.29 0.44 0.50 0.09 0.00 0.00 178.44 179.82 3i76 h LYS 76 N 0.00 0.81 0.00 1.13 3.11 -1.24 -0.68 116.57 119.70 3i76 h LYS 76 Ca -0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 3i76 h LYS 76 Cb 0.60 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 3i76 h LYS 76 CO 0.04 0.53 0.00 0.39 -2.81 0.00 0.00 179.45 177.60 3i76 n GLU 77 N -4.69 0.13 -0.11 1.90 1.02 -0.91 -2.36 120.64 115.62 3i76 n GLU 77 Ca 0.08 0.56 0.04 0.00 -0.02 0.00 0.00 57.16 57.82 3i76 n GLU 77 Cb 0.12 -1.87 0.10 0.00 -0.02 0.00 0.00 31.44 29.77 3i76 n GLU 77 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i76 n TYR 78 N -2.14 0.29 -0.39 -0.32 4.02 -0.58 -4.99 117.16 113.04 3i76 n TYR 78 Ca -0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 3i76 n TYR 78 Cb 0.08 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3i76 n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i76 n GLY 79 N 0.09 0.80 3.63 2.72 0.00 -0.86 -5.07 105.19 106.50 3i76 n GLY 79 Ca 0.07 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i76 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i76 s TYR 80 N -2.00 3.11 -0.19 1.61 2.02 -0.37 -5.01 117.35 116.52 3i76 s TYR 80 Ca 0.00 0.05 -0.11 0.00 -0.37 0.00 0.00 57.07 56.64 3i76 s TYR 80 Cb 0.00 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 3i76 s TYR 80 CO 0.00 0.31 0.19 -1.21 -1.57 0.00 0.00 175.55 173.27 3i76 s GLU 81 N -0.48 4.21 0.07 -0.62 2.02 -1.26 -3.06 118.70 119.57 3i76 s GLU 81 Ca 0.08 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.99 3i76 s GLU 81 Cb -0.12 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 3i76 s GLU 81 CO 0.02 0.26 -0.09 0.00 0.02 0.00 0.00 175.26 175.47 3i76 s ALA 82 N 0.45 0.86 -0.60 5.21 0.00 -1.26 -5.07 121.76 121.34 3i76 s ALA 82 Ca 0.11 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 3i76 s ALA 82 Cb -0.12 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.09 3i76 s ALA 82 CO 0.00 -0.04 0.97 0.34 0.00 0.00 0.00 175.76 177.03 3i76 s ASP 83 N -2.07 6.26 0.18 0.00 -1.08 -1.26 -4.75 116.67 113.96 3i76 s ASP 83 Ca -0.01 -0.61 -0.13 0.00 -0.52 0.00 0.00 52.55 51.28 3i76 s ASP 83 Cb -0.06 -2.43 0.16 0.00 -1.46 0.00 0.00 42.92 39.13 3i76 s ASP 83 CO -0.00 -1.34 1.73 1.23 0.52 0.00 0.00 175.17 177.30 3i76 h GLY 84 N 11.23 0.58 1.00 2.66 0.00 -1.94 -2.00 103.07 114.60 3i76 h GLY 84 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3i76 h GLY 84 CO 1.13 -0.04 0.26 0.00 0.00 0.00 0.00 176.54 177.89 3i76 h ALA 85 N 1.35 0.49 -0.83 3.60 0.00 -1.84 -0.93 119.26 121.11 3i76 h ALA 85 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3i76 h ALA 85 Cb 0.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3i76 h ALA 85 CO -0.29 -0.04 0.42 1.25 0.00 0.00 0.00 179.25 180.59 3i76 h LEU 86 N 0.53 1.06 -0.33 0.00 5.85 -1.87 -2.00 115.31 118.55 3i76 h LEU 86 Ca 0.14 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3i76 h LEU 86 Cb -0.05 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 3i76 h LEU 86 CO -0.03 0.87 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.47 3i76 h LEU 87 N 1.17 0.92 -1.08 2.25 3.38 -1.22 -2.58 115.31 118.15 3i76 h LEU 87 Ca 0.29 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3i76 h LEU 87 Cb 0.07 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3i76 h LEU 87 CO -0.04 1.23 0.61 -0.08 0.09 0.00 0.00 178.44 180.25 3i76 h GLU 88 N 0.64 1.22 -0.49 1.13 4.57 -1.04 0.43 114.58 121.04 3i76 h GLU 88 Ca 0.04 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3i76 h GLU 88 Cb 1.00 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 3i76 h GLU 88 CO 0.10 0.81 0.32 0.37 -1.18 0.00 0.00 179.01 179.43 3i76 h GLN 89 N 1.26 0.64 -0.24 1.92 4.15 -1.15 0.09 115.11 121.78 3i76 h GLN 89 Ca 0.34 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.69 3i76 h GLN 89 Cb -0.14 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 3i76 h GLN 89 CO -0.07 0.42 0.05 0.87 -1.93 0.00 0.00 178.83 178.17 3i76 h LYS 90 N 0.66 0.39 -0.73 1.69 1.57 -1.13 -2.72 116.57 116.31 3i76 h LYS 90 Ca 0.18 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3i76 h LYS 90 Cb -0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3i76 h LYS 90 CO -0.04 0.51 0.48 -0.92 -0.57 0.00 0.00 179.45 178.92 3i76 h TYR 91 N 0.21 0.92 -0.73 -1.35 3.20 -0.73 -2.53 116.97 115.96 3i76 h TYR 91 Ca 0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3i76 h TYR 91 Cb 0.30 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3i76 h TYR 91 CO 0.02 0.58 0.21 -0.09 -1.64 0.00 0.00 178.16 177.24 3i76 h ARG 92 N 0.99 1.15 -0.73 1.82 9.65 -0.91 0.18 114.38 126.53 3i76 h ARG 92 Ca 0.27 -0.25 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3i76 h ARG 92 Cb -0.11 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.27 3i76 h ARG 92 CO -0.06 0.98 0.25 -0.09 2.80 0.00 0.00 179.97 183.85 3i76 h ARG 93 N 1.10 1.12 -0.15 0.20 2.43 -1.14 -1.86 114.38 116.08 3i76 h ARG 93 Ca 0.23 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 3i76 h ARG 93 Cb 0.33 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3i76 h ARG 93 CO -0.00 0.94 -0.48 0.74 -1.51 0.00 0.00 179.97 179.65 3i76 h PHE 94 N 1.08 0.77 -0.86 2.20 0.04 -1.12 -3.29 116.94 115.76 3i76 h PHE 94 Ca 0.24 -0.31 0.03 0.00 2.80 0.00 0.00 57.97 60.73 3i76 h PHE 94 Cb 0.27 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.24 3i76 h PHE 94 CO 0.02 1.08 0.56 1.25 -0.60 0.00 0.00 178.31 180.63 3i76 h LEU 95 N 0.24 0.94 -1.25 1.54 5.85 -0.32 -2.27 115.31 120.03 3i76 h LEU 95 Ca -0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3i76 h LEU 95 Cb 1.10 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3i76 h LEU 95 CO 0.10 0.65 0.00 -0.33 -0.34 0.00 0.00 178.44 178.53 3i76 h GLU 96 N 1.09 0.00 0.00 1.25 5.08 -1.41 -1.62 114.58 118.97 3i76 h GLU 96 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3i76 h GLU 96 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3i76 h GLU 96 CO -0.09 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.31 3i76 n GLU 97 N -2.43 0.25 -3.29 2.33 -0.58 -0.85 -4.60 120.64 111.47 3i76 n GLU 97 Ca 0.00 0.22 -0.42 0.00 -0.42 0.00 0.00 57.16 56.54 3i76 n GLU 97 Cb 0.16 -1.80 -0.08 0.00 -0.57 0.00 0.00 31.44 29.15 3i76 n GLU 97 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i76 s GLY 98 N -3.56 1.85 -0.12 0.62 0.00 -0.61 -4.90 107.32 100.60 3i76 s GLY 98 Ca 0.10 -1.25 0.17 0.00 0.00 0.00 0.00 44.72 43.75 3i76 s GLY 98 CO 0.59 1.20 1.19 -2.39 0.00 0.00 0.00 173.10 173.69 3i76 n HIS 99 N 5.67 0.00 -1.65 1.90 1.44 -1.26 -4.85 115.22 116.46 3i76 n HIS 99 Ca -0.06 -1.07 -0.45 0.00 -2.01 0.00 0.00 57.72 54.13 3i76 n HIS 99 Cb 0.48 -0.20 -0.02 0.00 0.12 0.00 0.00 29.99 30.36 3i76 n HIS 99 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3i76 n GLN 100 N -0.47 1.86 -3.70 -1.40 3.00 -1.26 -4.54 117.38 110.87 3i76 n GLN 100 Ca 0.13 0.66 -0.32 0.00 -0.01 0.00 0.00 57.00 57.47 3i76 n GLN 100 Cb 0.87 -2.26 -0.05 0.00 0.00 0.00 0.00 30.24 28.81 3i76 n GLN 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3i76 s LEU 101 N 0.03 4.29 0.44 1.08 1.43 -1.26 -0.09 118.68 124.60 3i76 s LEU 101 Ca 0.66 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 54.07 3i76 s LEU 101 Cb -0.67 -3.23 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 3i76 s LEU 101 CO 0.53 0.08 1.26 -0.63 0.23 0.00 0.00 176.35 177.82 3i76 s ILE 102 N -1.62 2.72 -0.29 -0.59 -1.09 -0.69 -4.37 121.20 115.28 3i76 s ILE 102 Ca 0.39 0.60 -0.40 0.00 -2.23 0.00 0.00 60.65 59.01 3i76 s ILE 102 Cb -0.12 -3.33 -0.16 0.00 -1.58 0.00 0.00 42.46 37.27 3i76 s ILE 102 CO 0.24 0.05 1.76 -0.67 -1.23 0.00 0.00 174.94 175.09 3i76 n ASP 103 N -0.21 2.37 0.00 3.58 -0.08 -1.26 -1.46 116.55 119.49 3i76 n ASP 103 Ca 0.06 1.06 0.00 0.00 -1.51 0.00 0.00 54.79 54.40 3i76 n ASP 103 Cb 0.45 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.78 3i76 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i76 n GLY 104 N 4.29 0.93 0.22 0.27 0.00 -1.26 -4.49 105.19 105.15 3i76 n GLY 104 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 3i76 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i76 h ALA 105 N 0.00 0.65 0.32 4.61 0.00 -1.56 -1.56 119.26 121.72 3i76 h ALA 105 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i76 h ALA 105 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i76 h ALA 105 CO 0.00 0.12 -0.16 0.35 0.00 0.00 0.00 179.25 179.56 3i76 h PHE 106 N 0.69 -0.40 -0.49 0.00 3.57 -1.91 -1.00 116.94 117.39 3i76 h PHE 106 Ca 0.18 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3i76 h PHE 106 Cb -0.04 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 3i76 h PHE 106 CO -0.03 -0.11 0.04 -0.44 -2.23 0.00 0.00 178.31 175.54 3i76 h ASP 107 N -0.67 -0.12 0.15 0.41 3.32 -1.97 0.71 116.42 118.25 3i76 h ASP 107 Ca -0.04 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3i76 h ASP 107 Cb 0.47 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3i76 h ASP 107 CO 0.07 -0.03 -0.12 0.25 -1.72 0.00 0.00 179.24 177.69 3i76 h LEU 108 N 0.16 -0.31 -0.87 1.55 5.85 -1.14 -1.57 115.31 118.98 3i76 h LEU 108 Ca 0.25 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 3i76 h LEU 108 Cb 0.36 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3i76 h LEU 108 CO -0.37 -0.19 -0.04 0.40 -0.34 0.00 0.00 178.44 177.90 3i76 h ILE 109 N -0.28 1.25 -0.83 4.05 1.08 -0.87 0.56 117.51 122.46 3i76 h ILE 109 Ca -0.00 -1.07 0.03 0.00 -0.39 0.00 0.00 64.86 63.43 3i76 h ILE 109 Cb 0.25 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 3i76 h ILE 109 CO -0.01 0.37 0.53 -1.28 -0.69 0.00 0.00 178.15 177.07 3i76 h SER 110 N 0.73 0.88 -0.01 1.72 0.87 -0.60 -1.64 113.55 115.50 3i76 h SER 110 Ca 0.13 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 3i76 h SER 110 Cb 0.51 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3i76 h SER 110 CO 0.03 0.61 -0.69 0.78 -0.53 0.00 0.00 176.83 177.02 3i76 h ASN 111 N 1.03 0.63 0.07 6.23 2.35 -0.67 -3.30 115.58 121.92 3i76 h ASN 111 Ca 0.33 -0.75 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 3i76 h ASN 111 Cb 0.00 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3i76 h ASN 111 CO -0.11 1.29 -0.22 -0.07 -1.65 0.00 0.00 177.43 176.67 3i76 h LEU 112 N 0.03 0.26 -1.70 1.61 3.38 -0.78 -2.08 115.31 116.03 3i76 h LEU 112 Ca -0.08 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 57.98 3i76 h LEU 112 Cb 1.38 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 3i76 h LEU 112 CO 0.14 0.49 0.50 -0.61 0.09 0.00 0.00 178.44 179.04 3i76 h GLN 113 N 0.24 0.28 0.00 1.13 -0.00 -1.38 0.04 115.11 115.42 3i76 h GLN 113 Ca 0.04 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.62 3i76 h GLN 113 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.94 3i76 h GLN 113 CO 0.04 0.19 -0.26 1.96 0.00 0.00 0.00 178.83 180.75 3i76 h GLN 114 N 0.29 0.00 0.00 1.69 4.20 -1.50 -3.34 115.11 116.44 3i76 h GLN 114 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3i76 h GLN 114 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3i76 h GLN 114 CO -0.09 0.26 -0.44 1.04 -0.67 0.00 0.00 178.83 178.94 3i76 n GLN 115 N -3.61 4.22 -4.23 1.46 6.02 -0.73 -5.06 117.38 115.46 3i76 n GLN 115 Ca -0.01 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 3i76 n GLN 115 Cb 0.40 -0.76 -0.10 0.00 1.02 0.00 0.00 30.24 30.80 3i76 n GLN 115 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i76 s PHE 116 N -1.53 1.16 -0.20 1.08 0.08 -0.08 -4.96 117.98 113.54 3i76 s PHE 116 Ca 0.00 -0.82 -0.19 0.00 0.12 0.00 0.00 56.93 56.04 3i76 s PHE 116 Cb 0.02 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 3i76 s PHE 116 CO 0.10 -0.00 0.55 -0.51 -0.10 0.00 0.00 175.22 175.25 3i76 s ASP 117 N -3.14 6.59 -0.15 1.36 1.01 -0.50 -4.48 116.67 117.37 3i76 s ASP 117 Ca 0.16 0.72 -0.04 0.00 0.71 0.00 0.00 52.55 54.09 3i76 s ASP 117 Cb 0.04 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 3i76 s ASP 117 CO -0.01 -0.20 0.01 -0.76 0.21 0.00 0.00 175.17 174.42 3i76 s LEU 118 N 1.69 3.53 0.07 1.23 1.43 -1.26 -0.80 118.68 124.57 3i76 s LEU 118 Ca 0.25 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 3i76 s LEU 118 Cb -0.16 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3i76 s LEU 118 CO 0.10 0.22 -0.17 -0.31 0.23 0.00 0.00 176.35 176.43 3i76 s TYR 119 N 0.04 1.44 -0.08 0.29 2.02 0.21 -0.71 117.35 120.57 3i76 s TYR 119 Ca 0.03 -0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 56.18 3i76 s TYR 119 Cb -0.13 -0.82 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3i76 s TYR 119 CO 0.02 0.10 0.33 0.42 -1.57 0.00 0.00 175.55 174.85 3i76 s ILE 120 N -1.09 5.21 -0.18 2.71 -1.09 -0.98 -0.71 121.20 125.08 3i76 s ILE 120 Ca 0.02 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 3i76 s ILE 120 Cb -0.09 -3.65 0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3i76 s ILE 120 CO 0.02 0.50 -0.09 0.68 -1.23 0.00 0.00 174.94 174.83 3i76 s VAL 121 N -0.42 1.43 -0.09 2.92 -7.23 -0.35 -0.97 120.40 115.69 3i76 s VAL 121 Ca 0.20 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.44 3i76 s VAL 121 Cb -0.15 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.32 3i76 s VAL 121 CO 0.09 0.21 0.37 0.28 -0.31 0.00 0.00 175.10 175.74 3i76 s THR 122 N 1.50 0.02 -2.12 5.32 -1.32 -0.86 -3.88 115.64 114.30 3i76 s THR 122 Ca 0.01 -0.17 0.26 0.00 -1.21 0.00 0.00 61.69 60.58 3i76 s THR 122 Cb -0.15 -0.59 0.32 0.00 -1.51 0.00 0.00 72.50 70.57 3i76 s THR 122 CO -0.08 -0.09 1.54 0.59 -2.21 0.00 0.00 174.62 174.37 3i76 n ASN 123 N 2.21 1.44 -4.78 8.08 3.02 -1.26 -1.87 115.26 122.11 3i76 n ASN 123 Ca -0.16 -1.24 -0.29 0.00 -0.03 0.00 0.00 54.58 52.85 3i76 n ASN 123 Cb 0.57 0.12 0.12 0.00 -0.61 0.00 0.00 39.78 39.98 3i76 n ASN 123 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i76 s GLY 124 N -2.30 1.60 0.10 7.41 0.00 -1.26 -4.76 107.32 108.11 3i76 s GLY 124 Ca 0.28 -0.29 -0.31 0.00 0.00 0.00 0.00 44.72 44.40 3i76 s GLY 124 CO 0.45 0.20 1.88 0.14 0.00 0.00 0.00 173.10 175.77 3i76 s VAL 125 N -3.14 2.64 0.18 1.40 1.01 -1.26 -4.75 120.40 116.48 3i76 s VAL 125 Ca 0.62 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 3i76 s VAL 125 Cb -0.15 -3.01 0.14 0.00 0.00 0.00 0.00 36.38 33.35 3i76 s VAL 125 CO 0.55 -0.00 1.63 0.77 0.00 0.00 0.00 175.10 178.05 3i76 h SER 126 N 9.17 -0.65 -0.79 3.32 4.64 -1.98 -0.62 113.55 126.65 3i76 h SER 126 Ca -0.47 0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.08 3i76 h SER 126 Cb 1.22 0.37 -0.06 0.00 -0.31 0.00 0.00 62.40 63.62 3i76 h SER 126 CO 0.95 -0.22 0.47 0.45 -0.87 0.00 0.00 176.83 177.61 3i76 h HIS 127 N -0.08 0.87 -0.36 4.77 3.86 -2.00 -0.89 115.15 121.32 3i76 h HIS 127 Ca 0.23 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 3i76 h HIS 127 Cb 0.43 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3i76 h HIS 127 CO -0.46 0.42 0.10 1.15 0.86 0.00 0.00 177.93 180.01 3i76 h THR 128 N 0.86 1.22 -0.12 2.45 2.02 -1.68 -2.38 112.91 115.27 3i76 h THR 128 Ca 0.35 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 3i76 h THR 128 Cb 0.20 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3i76 h THR 128 CO -0.19 0.25 -0.40 1.56 0.37 0.00 0.00 175.52 177.12 3i76 h GLN 129 N 0.44 0.49 -0.24 6.66 1.08 -0.60 -2.31 115.11 120.63 3i76 h GLN 129 Ca 0.12 -0.36 0.03 0.00 -1.45 0.00 0.00 58.65 56.99 3i76 h GLN 129 Cb 0.28 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 3i76 h GLN 129 CO -0.00 0.98 0.04 1.88 -0.95 0.00 0.00 178.83 180.78 3i76 h TYR 130 N 0.09 0.06 -0.33 2.96 -1.99 -1.24 -0.22 116.97 116.30 3i76 h TYR 130 Ca -0.01 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 3i76 h TYR 130 Cb 1.02 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.74 3i76 h TYR 130 CO 0.11 0.01 0.19 -0.22 -0.00 0.00 0.00 178.16 178.25 3i76 h LYS 131 N 0.12 0.46 -0.20 4.88 3.64 -1.34 -0.83 116.57 123.30 3i76 h LYS 131 Ca 0.11 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 3i76 h LYS 131 Cb 0.11 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3i76 h LYS 131 CO -0.15 0.37 -0.56 0.00 -2.27 0.00 0.00 179.45 176.84 3i76 h ARG 132 N 0.42 0.61 -0.84 1.90 3.08 -1.32 0.10 114.38 118.34 3i76 h ARG 132 Ca 0.12 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 3i76 h ARG 132 Cb 0.04 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3i76 h ARG 132 CO -0.02 1.01 0.44 -0.07 -1.07 0.00 0.00 179.97 180.26 3i76 h LEU 133 N 0.47 1.07 -0.14 3.04 3.38 -0.96 -0.99 115.31 121.17 3i76 h LEU 133 Ca 0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3i76 h LEU 133 Cb 1.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3i76 h LEU 133 CO 0.11 0.88 -0.06 0.03 0.09 0.00 0.00 178.44 179.48 3i76 h ARG 134 N 1.18 0.28 0.00 1.13 3.08 -0.88 -1.09 114.38 118.09 3i76 h ARG 134 Ca 0.29 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 3i76 h ARG 134 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3i76 h ARG 134 CO -0.04 0.61 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.65 3i76 h ASP 135 N -0.05 0.00 1.30 7.04 3.32 -0.68 -2.04 116.42 125.30 3i76 h ASP 135 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3i76 h ASP 135 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3i76 h ASP 135 CO 0.02 0.38 0.00 -1.54 -1.72 0.00 0.00 179.24 176.38 3i76 n SER 136 N -4.04 0.65 0.00 6.45 3.41 -0.39 -4.93 113.62 114.78 3i76 n SER 136 Ca -0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3i76 n SER 136 Cb 0.42 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3i76 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i76 n GLY 137 N 1.17 0.85 0.15 5.00 0.00 -0.77 -4.95 105.19 106.65 3i76 n GLY 137 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3i76 n GLY 137 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i76 h LEU 138 N 0.00 0.00 -0.55 0.99 3.38 -1.52 -3.40 115.31 114.20 3i76 h LEU 138 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3i76 h LEU 138 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3i76 h LEU 138 CO 0.00 0.40 0.03 0.15 0.09 0.00 0.00 178.44 179.11 3i76 h PHE 139 N 0.00 0.03 0.00 1.13 3.57 -1.54 -2.47 116.94 117.65 3i76 h PHE 139 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i76 h PHE 139 Cb 1.31 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.13 3i76 h PHE 139 CO 0.00 -0.11 0.00 -1.35 -2.23 0.00 0.00 178.31 174.62 3i76 h PRO 140 N 0.15 0.00 0.00 6.41 0.11 -1.88 -2.86 132.00 133.93 3i76 h PRO 140 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3i76 h PRO 140 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3i76 h PRO 140 CO -0.44 0.00 -0.10 1.19 -0.21 0.00 0.00 178.00 178.43 3i76 n PHE 141 N -2.58 0.34 -3.95 0.65 3.72 -0.93 -4.85 117.46 109.87 3i76 n PHE 141 Ca -0.00 0.10 -0.36 0.00 -0.05 0.00 0.00 57.45 57.14 3i76 n PHE 141 Cb 0.15 -0.63 -0.07 0.00 -0.94 0.00 0.00 39.48 37.99 3i76 n PHE 141 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3i76 s PHE 142 N -3.05 3.45 0.13 1.38 0.08 -1.08 -4.60 117.98 114.29 3i76 s PHE 142 Ca 0.12 0.38 -0.00 0.00 0.12 0.00 0.00 56.93 57.55 3i76 s PHE 142 Cb 0.16 -1.97 -0.13 0.00 -0.57 0.00 0.00 43.02 40.51 3i76 s PHE 142 CO 0.58 0.54 1.28 0.87 -0.10 0.00 0.00 175.22 178.39 3i76 h LYS 143 N 5.54 0.23 -3.38 0.44 1.57 -1.24 -3.47 116.57 116.25 3i76 h LYS 143 Ca -0.49 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 57.94 3i76 h LYS 143 Cb 1.20 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 33.50 3i76 h LYS 143 CO 0.62 1.07 -0.03 0.34 -0.57 0.00 0.00 179.45 180.88 3i76 s ASP 144 N -7.00 -0.23 -0.10 0.86 -1.08 -1.26 -5.08 116.67 102.78 3i76 s ASP 144 Ca -0.03 -0.45 -0.00 0.00 -0.52 0.00 0.00 52.55 51.54 3i76 s ASP 144 Cb 0.09 0.53 0.02 0.00 -1.46 0.00 0.00 42.92 42.11 3i76 s ASP 144 CO 0.85 -0.97 -0.07 -0.63 0.52 0.00 0.00 175.17 174.87 3i76 s ILE 145 N -3.86 0.93 -0.37 4.11 1.01 -1.26 -2.31 121.20 119.45 3i76 s ILE 145 Ca 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 3i76 s ILE 145 Cb 0.00 -0.95 0.08 0.00 0.01 0.00 0.00 42.46 41.61 3i76 s ILE 145 CO -0.06 0.34 0.12 -0.36 0.00 0.00 0.00 174.94 174.99 3i76 s PHE 146 N 1.56 3.47 -0.12 3.97 0.08 -0.14 -4.97 117.98 121.83 3i76 s PHE 146 Ca 0.02 -2.19 -0.04 0.00 0.12 0.00 0.00 56.93 54.84 3i76 s PHE 146 Cb -0.13 -2.78 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 3i76 s PHE 146 CO -0.06 -0.90 0.02 0.08 -0.10 0.00 0.00 175.22 174.27 3i76 s VAL 147 N 1.19 4.47 0.29 -0.44 1.01 -1.26 -2.03 120.40 123.63 3i76 s VAL 147 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3i76 s VAL 147 Cb -0.21 -2.93 0.29 0.00 0.00 0.00 0.00 36.38 33.53 3i76 s VAL 147 CO -0.03 0.56 1.69 0.77 0.00 0.00 0.00 175.10 178.10 3i76 h SER 148 N 5.64 0.31 -0.02 3.32 4.64 -1.63 -1.12 113.55 124.70 3i76 h SER 148 Ca -0.46 0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3i76 h SER 148 Cb 1.19 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3i76 h SER 148 CO 0.59 -0.01 0.04 1.05 -0.87 0.00 0.00 176.83 177.63 3i76 h GLU 149 N 0.39 0.00 -0.01 4.77 4.11 -1.87 -0.22 114.58 121.74 3i76 h GLU 149 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 3i76 h GLU 149 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3i76 h GLU 149 CO -0.54 0.00 -0.20 -0.25 0.07 0.00 0.00 179.01 178.09 3i76 n ASP 150 N -3.39 1.04 -0.00 3.06 8.00 -0.42 -4.43 116.55 120.40 3i76 n ASP 150 Ca -0.02 -0.95 0.05 0.00 0.71 0.00 0.00 54.79 54.58 3i76 n ASP 150 Cb 0.12 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.23 3i76 n ASP 150 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3i76 n THR 151 N -0.55 0.00 -0.26 -3.53 -2.24 -0.10 -4.98 114.28 102.62 3i76 n THR 151 Ca 0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3i76 n THR 151 Cb 0.34 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3i76 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i76 n GLY 152 N 1.64 2.12 0.00 3.38 0.00 -1.22 -4.98 105.19 106.13 3i76 n GLY 152 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i76 n GLY 152 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i76 n PHE 153 N -2.00 0.00 -3.55 1.61 3.72 -1.26 -5.08 117.46 110.91 3i76 n PHE 153 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3i76 n PHE 153 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 3i76 n PHE 153 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3i76 s GLN 154 N -0.37 0.84 0.29 -1.08 0.00 -1.26 -4.48 119.66 113.60 3i76 s GLN 154 Ca 0.00 0.19 -0.30 0.00 -0.00 0.00 0.00 55.36 55.25 3i76 s GLN 154 Cb 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 33.01 33.28 3i76 s GLN 154 CO 0.00 -0.27 1.40 1.63 0.00 0.00 0.00 175.29 178.06 3i76 n LYS 155 N 0.79 2.22 -0.20 9.60 5.02 -1.26 -0.68 118.16 133.66 3i76 n LYS 155 Ca -0.15 0.79 0.07 0.00 -2.02 0.00 0.00 58.31 57.00 3i76 n LYS 155 Cb 0.58 -2.44 0.19 0.00 -0.02 0.00 0.00 35.03 33.33 3i76 n LYS 155 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i76 n PRO 156 N 1.44 1.92 -1.86 1.97 -0.04 -1.26 -4.68 135.00 132.49 3i76 n PRO 156 Ca 0.08 -1.42 -0.41 0.00 -0.04 0.00 0.00 63.50 61.70 3i76 n PRO 156 Cb 0.34 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 3i76 n PRO 156 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i76 s MET 157 N -1.49 4.17 0.37 0.54 -1.94 0.15 -4.43 119.30 116.67 3i76 s MET 157 Ca 0.27 2.48 0.05 0.00 -1.71 0.00 0.00 55.69 56.78 3i76 s MET 157 Cb 0.14 -3.04 0.73 0.00 2.01 0.00 0.00 34.83 34.67 3i76 s MET 157 CO 0.19 -0.53 1.99 1.57 -0.01 0.00 0.00 175.02 178.23 3i76 h LYS 158 N 4.53 0.73 0.00 2.03 -0.00 -1.91 -1.53 116.57 120.43 3i76 h LYS 158 Ca -0.47 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.65 60.09 3i76 h LYS 158 Cb 1.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 33.28 3i76 h LYS 158 CO 0.76 0.48 -0.22 0.93 -0.00 0.00 0.00 179.45 181.40 3i76 h GLU 159 N 0.75 0.00 -0.15 0.07 3.07 -1.93 0.67 114.58 117.07 3i76 h GLU 159 Ca 0.26 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 3i76 h GLU 159 Cb 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3i76 h GLU 159 CO -0.07 0.22 -0.04 -0.92 -1.40 0.00 0.00 179.01 176.79 3i76 h TYR 160 N 0.00 0.32 -0.20 4.33 3.20 -1.56 -2.42 116.97 120.64 3i76 h TYR 160 Ca -0.00 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 3i76 h TYR 160 Cb 0.43 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3i76 h TYR 160 CO 0.00 0.58 -0.30 0.74 -1.64 0.00 0.00 178.16 177.54 3i76 h PHE 161 N -0.03 0.45 -0.84 -3.82 0.04 -1.19 -2.36 116.94 109.19 3i76 h PHE 161 Ca 0.04 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 3i76 h PHE 161 Cb 0.48 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3i76 h PHE 161 CO 0.06 0.66 0.38 -0.91 -0.60 0.00 0.00 178.31 177.90 3i76 h ASN 162 N 0.35 1.12 -0.65 2.17 2.35 -0.89 0.47 115.58 120.50 3i76 h ASN 162 Ca 0.05 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3i76 h ASN 162 Cb 0.71 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 3i76 h ASN 162 CO 0.05 0.95 0.40 0.22 -1.65 0.00 0.00 177.43 177.40 3i76 h TYR 163 N 1.20 0.74 0.07 1.19 3.20 -1.10 -1.63 116.97 120.64 3i76 h TYR 163 Ca 0.29 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 3i76 h TYR 163 Cb 0.15 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3i76 h TYR 163 CO 0.02 0.42 -0.03 0.28 -1.64 0.00 0.00 178.16 177.20 3i76 h VAL 164 N 0.78 1.12 -0.71 1.81 2.07 -0.99 -3.14 116.25 117.19 3i76 h VAL 164 Ca 0.26 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3i76 h VAL 164 Cb 0.03 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3i76 h VAL 164 CO -0.11 0.17 0.47 -0.26 0.02 0.00 0.00 177.57 177.86 3i76 h PHE 165 N -0.39 0.89 -0.09 1.57 0.04 -0.69 -0.94 116.94 117.32 3i76 h PHE 165 Ca -0.01 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3i76 h PHE 165 Cb 0.34 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 3i76 h PHE 165 CO 0.03 0.56 0.09 0.93 -0.60 0.00 0.00 178.31 179.32 3i76 h GLU 166 N 0.96 0.00 -0.13 1.51 5.08 -1.33 -2.86 114.58 117.80 3i76 h GLU 166 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3i76 h GLU 166 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3i76 h GLU 166 CO -0.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 3i76 n ARG 167 N -3.89 1.76 -3.41 2.33 1.74 -0.41 -4.83 116.66 109.95 3i76 n ARG 167 Ca -0.01 -1.74 -0.40 0.00 -0.77 0.00 0.00 57.85 54.93 3i76 n ARG 167 Cb 0.19 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.18 3i76 n ARG 167 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i76 s ILE 168 N -1.39 5.18 0.25 0.55 1.01 -0.92 -5.05 121.20 120.83 3i76 s ILE 168 Ca 0.24 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3i76 s ILE 168 Cb 0.16 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.73 3i76 s ILE 168 CO 0.23 -0.04 1.54 -2.84 0.00 0.00 0.00 174.94 173.84 3i76 s PRO 169 N 2.02 4.19 -1.41 2.79 0.02 -1.26 -2.41 135.00 138.93 3i76 s PRO 169 Ca 0.12 2.45 -0.06 0.00 0.02 0.00 0.00 61.00 63.53 3i76 s PRO 169 Cb -0.16 -3.08 0.04 0.00 0.02 0.00 0.00 34.50 31.32 3i76 s PRO 169 CO 0.11 -0.56 0.81 1.04 -0.33 0.00 0.00 177.00 178.07 3i76 n GLN 170 N 2.59 -5.08 -1.87 5.54 3.00 -1.26 -4.91 117.38 115.39 3i76 n GLN 170 Ca 0.09 0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 3i76 n GLN 170 Cb 0.38 -5.27 -0.03 0.00 0.00 0.00 0.00 30.24 25.32 3i76 n GLN 170 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3i76 s PHE 171 N -3.53 3.00 -0.18 1.08 2.19 -1.01 -5.02 117.98 114.51 3i76 s PHE 171 Ca 0.29 0.55 -0.01 0.00 0.33 0.00 0.00 56.93 58.09 3i76 s PHE 171 Cb -0.14 -4.00 0.05 0.00 -1.31 0.00 0.00 43.02 37.62 3i76 s PHE 171 CO 0.82 -3.69 -0.02 0.45 1.83 0.00 0.00 175.22 174.61 3i76 s SER 172 N 1.11 3.01 0.27 6.13 0.15 -1.26 -5.01 113.70 118.10 3i76 s SER 172 Ca 0.71 -0.79 -0.00 0.00 0.70 0.00 0.00 55.95 56.56 3i76 s SER 172 Cb -0.46 -0.85 0.51 0.00 -1.71 0.00 0.00 66.02 63.51 3i76 s SER 172 CO 0.32 -0.23 1.82 0.00 1.20 0.00 0.00 173.24 176.35 3i76 h ALA 173 N 8.13 1.40 0.00 5.45 0.00 -1.93 -1.34 119.26 130.96 3i76 h ALA 173 Ca -0.20 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3i76 h ALA 173 Cb 1.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3i76 h ALA 173 CO 0.38 0.14 -0.22 1.49 0.00 0.00 0.00 179.25 181.04 3i76 h GLU 174 N 0.88 0.00 -0.67 0.00 4.81 -1.95 -2.45 114.58 115.20 3i76 h GLU 174 Ca 0.47 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.35 3i76 h GLU 174 Cb 0.49 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.67 3i76 h GLU 174 CO -0.28 0.22 0.28 0.72 -0.73 0.00 0.00 179.01 179.22 3i76 n HIS 175 N -3.98 2.06 -4.79 0.92 8.25 -0.52 -4.91 115.22 112.26 3i76 n HIS 175 Ca -0.02 -1.72 -0.31 0.00 -0.26 0.00 0.00 57.72 55.41 3i76 n HIS 175 Cb 0.30 -0.72 -0.17 0.00 1.12 0.00 0.00 29.99 30.53 3i76 n HIS 175 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i76 s THR 176 N -3.27 1.85 -0.09 1.59 2.01 -0.92 0.14 115.64 116.94 3i76 s THR 176 Ca 0.51 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.65 3i76 s THR 176 Cb 0.44 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 3i76 s THR 176 CO 0.05 0.51 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.14 3i76 s LEU 177 N 0.69 2.76 -0.13 4.42 2.96 -0.46 -3.76 118.68 125.16 3i76 s LEU 177 Ca -0.11 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 3i76 s LEU 177 Cb -0.16 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3i76 s LEU 177 CO 0.02 0.26 0.03 -0.51 -1.32 0.00 0.00 176.35 174.83 3i76 s ILE 178 N -0.22 4.55 -0.14 6.68 2.07 -1.03 -0.80 121.20 132.31 3i76 s ILE 178 Ca 0.01 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3i76 s ILE 178 Cb -0.13 -2.98 0.01 0.00 0.13 0.00 0.00 42.46 39.49 3i76 s ILE 178 CO 0.03 0.54 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.76 3i76 s ILE 179 N -0.32 2.00 -0.02 2.00 1.09 0.47 -0.30 121.20 126.11 3i76 s ILE 179 Ca 0.08 -0.94 -0.30 0.00 -1.10 0.00 0.00 60.65 58.39 3i76 s ILE 179 Cb -0.12 -1.77 0.11 0.00 -1.06 0.00 0.00 42.46 39.61 3i76 s ILE 179 CO 0.02 0.54 0.99 -0.83 -0.10 0.00 0.00 174.94 175.56 3i76 s GLY 180 N 0.85 -0.39 0.09 6.18 0.00 -0.92 -1.43 107.32 111.69 3i76 s GLY 180 Ca -0.07 1.00 0.23 0.00 0.00 0.00 0.00 44.72 45.89 3i76 s GLY 180 CO -0.02 0.32 1.02 2.09 0.00 0.00 0.00 173.10 176.51 3i76 n ASP 181 N -0.26 0.62 -4.58 1.64 5.75 -1.26 -1.18 116.55 117.29 3i76 n ASP 181 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.30 3i76 n ASP 181 Cb 0.61 0.73 -0.06 0.00 -1.03 0.00 0.00 41.12 41.37 3i76 n ASP 181 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3i76 s SER 182 N -4.41 6.45 0.21 -1.12 0.15 -1.26 -4.77 113.70 108.95 3i76 s SER 182 Ca 0.02 0.20 -0.10 0.00 0.70 0.00 0.00 55.95 56.77 3i76 s SER 182 Cb 0.13 -2.33 0.17 0.00 -1.71 0.00 0.00 66.02 62.28 3i76 s SER 182 CO 0.80 -0.59 1.88 0.25 1.20 0.00 0.00 173.24 176.78 3i76 h LEU 183 N 9.38 0.92 0.00 3.45 6.46 -1.96 -0.26 115.31 133.30 3i76 h LEU 183 Ca -0.26 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.43 3i76 h LEU 183 Cb 1.11 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 3i76 h LEU 183 CO 0.84 0.68 -0.18 0.71 -0.62 0.00 0.00 178.44 179.87 3i76 h THR 184 N 1.08 1.41 -0.14 1.05 1.35 -1.96 -0.86 112.91 114.85 3i76 h THR 184 Ca 0.29 -2.12 -0.05 0.00 -0.55 0.00 0.00 66.41 63.97 3i76 h THR 184 Cb -0.10 2.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3i76 h THR 184 CO -0.06 0.48 -0.13 0.00 -0.25 0.00 0.00 175.52 175.56 3i76 h ALA 185 N -0.22 0.20 0.02 6.62 0.00 -1.90 -2.96 119.26 121.01 3i76 h ALA 185 Ca -0.05 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.22 3i76 h ALA 185 Cb 0.90 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3i76 h ALA 185 CO -0.03 0.06 -1.83 -0.25 0.00 0.00 0.00 179.25 177.21 3i76 n ASP 186 N -4.58 1.93 -0.07 0.00 8.00 -0.21 -3.91 116.55 117.72 3i76 n ASP 186 Ca -0.06 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.68 3i76 n ASP 186 Cb 0.35 -0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 3i76 n ASP 186 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3i76 h ILE 187 N -0.78 0.96 -0.55 0.53 1.08 -1.30 -2.25 117.51 115.19 3i76 h ILE 187 Ca -0.48 -1.75 -0.08 0.00 -0.39 0.00 0.00 64.86 62.15 3i76 h ILE 187 Cb 1.54 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 37.11 3i76 h ILE 187 CO -0.23 0.32 0.02 0.50 -0.69 0.00 0.00 178.15 178.07 3i76 h LYS 188 N -1.00 0.93 -0.11 2.37 3.64 -1.24 -0.38 116.57 120.78 3i76 h LYS 188 Ca -0.03 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.11 3i76 h LYS 188 Cb 0.62 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3i76 h LYS 188 CO -0.02 0.91 -0.07 0.78 -2.27 0.00 0.00 179.45 178.79 3i76 h GLY 189 N 1.00 0.03 0.82 5.01 0.00 -1.63 -0.76 103.07 107.53 3i76 h GLY 189 Ca 0.16 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.49 3i76 h GLY 189 CO 0.02 -0.08 -0.22 -1.33 0.00 0.00 0.00 176.54 174.93 3i76 h GLY 190 N -0.07 0.52 0.77 4.60 0.00 -1.23 -0.85 103.07 106.82 3i76 h GLY 190 Ca 0.07 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.86 3i76 h GLY 190 CO -0.15 0.50 -0.11 -1.61 0.00 0.00 0.00 176.54 175.16 3i76 h GLN 191 N 0.13 -0.21 -0.53 4.80 4.15 -1.07 0.28 115.11 122.66 3i76 h GLN 191 Ca 0.02 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.53 3i76 h GLN 191 Cb 0.78 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 3i76 h GLN 191 CO 0.05 -0.14 0.36 -0.07 -1.93 0.00 0.00 178.83 177.10 3i76 h LEU 192 N -0.22 0.37 -0.09 -2.39 3.38 -1.06 -0.04 115.31 115.26 3i76 h LEU 192 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i76 h LEU 192 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i76 h LEU 192 CO -0.08 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3i76 n ALA 193 N -2.51 2.65 -0.20 1.53 0.00 -0.33 -4.86 120.51 116.79 3i76 n ALA 193 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i76 n ALA 193 Cb 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3i76 n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i76 n GLY 194 N 0.94 0.92 3.66 0.00 0.00 -0.03 -5.04 105.19 105.64 3i76 n GLY 194 Ca 0.20 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3i76 n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i76 s LEU 195 N 0.00 3.34 0.70 0.99 1.43 0.88 -4.74 118.68 121.28 3i76 s LEU 195 Ca 0.00 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 3i76 s LEU 195 Cb 0.00 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3i76 s LEU 195 CO 0.00 0.17 1.18 -1.81 0.23 0.00 0.00 176.35 176.11 3i76 s ASP 196 N -2.36 4.57 0.02 2.29 1.01 -1.25 -3.66 116.67 117.30 3i76 s ASP 196 Ca 0.25 2.25 0.03 0.00 0.71 0.00 0.00 52.55 55.78 3i76 s ASP 196 Cb -0.11 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.22 3i76 s ASP 196 CO 0.17 -2.01 -0.09 0.42 0.21 0.00 0.00 175.17 173.88 3i76 s THR 197 N -2.06 0.65 -0.23 -1.27 -4.23 -1.26 -2.46 115.64 104.79 3i76 s THR 197 Ca 0.72 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 3i76 s THR 197 Cb -0.27 -0.61 0.06 0.00 1.34 0.00 0.00 72.50 73.02 3i76 s THR 197 CO 0.43 -0.06 -0.05 0.00 -0.54 0.00 0.00 174.62 174.40 3i76 s TRP 199 N 1.45 3.05 -0.52 0.00 -0.00 -0.33 -2.16 118.94 120.43 3i76 s TRP 199 Ca -0.05 0.62 -0.29 0.00 -0.00 0.00 0.00 56.10 56.39 3i76 s TRP 199 Cb -0.18 -3.66 0.03 0.00 -0.00 0.00 0.00 33.47 29.65 3i76 s TRP 199 CO -0.06 -0.87 1.19 1.41 -0.00 0.00 0.00 176.95 178.62 3i76 s MET 200 N 3.45 3.61 -0.39 5.86 -2.45 -0.33 -1.46 119.30 127.60 3i76 s MET 200 Ca 0.36 0.46 0.11 0.00 -1.25 0.00 0.00 55.69 55.38 3i76 s MET 200 Cb -0.12 -3.97 0.34 0.00 1.25 0.00 0.00 34.83 32.33 3i76 s MET 200 CO 0.20 -1.54 0.72 -1.71 1.05 0.00 0.00 175.02 173.73 3i76 n ASN 201 N 8.24 0.98 0.28 1.11 5.15 -0.18 -4.31 115.26 126.53 3i76 n ASN 201 Ca 0.11 -3.01 0.12 0.00 -0.60 0.00 0.00 54.58 51.20 3i76 n ASN 201 Cb 0.49 -0.62 0.79 0.00 -0.53 0.00 0.00 39.78 39.91 3i76 n ASN 201 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3i76 h PRO 202 N 3.14 0.00 -0.63 1.20 0.13 -1.72 -1.99 132.00 132.13 3i76 h PRO 202 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3i76 h PRO 202 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3i76 h PRO 202 CO 0.52 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 3i76 n ASP 203 N -4.16 5.16 -4.04 1.44 8.00 -1.26 -4.98 116.55 116.71 3i76 n ASP 203 Ca -0.03 -2.75 -0.38 0.00 0.71 0.00 0.00 54.79 52.34 3i76 n ASP 203 Cb 0.10 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 3i76 n ASP 203 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i76 n MET 204 N 0.68 -0.46 0.00 -1.24 2.81 -0.75 -5.26 117.12 112.91 3i76 n MET 204 Ca 0.25 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 3i76 n MET 204 Cb 1.06 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3i76 n MET 204 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3i76 n LYS 205 N -4.39 0.00 -2.71 0.03 5.02 -1.26 -5.19 118.16 109.65 3i76 n LYS 205 Ca -0.14 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.13 3i76 n LYS 205 Cb 0.50 -0.25 -0.02 0.00 -0.02 0.00 0.00 35.03 35.25 3i76 n LYS 205 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i76 n ILE 211 N 0.00-11.58 -3.36 -0.18 5.41 -1.26 -5.17 119.36 103.22 3i76 n ILE 211 Ca 0.00 2.08 -0.39 0.00 1.00 0.00 0.00 62.75 65.43 3i76 n ILE 211 Cb 0.00 -6.49 -0.09 0.00 -0.71 0.00 0.00 39.64 32.35 3i76 n ILE 211 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3i76 s ILE 212 N -1.22 5.15 0.57 1.39 1.01 -1.26 -5.03 121.20 121.81 3i76 s ILE 212 Ca -0.10 0.57 -0.13 0.00 0.00 0.00 0.00 60.65 60.98 3i76 s ILE 212 Cb 0.01 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 3i76 s ILE 212 CO 0.73 0.12 1.00 -2.16 0.00 0.00 0.00 174.94 174.63 3i76 s PRO 213 N 2.11 3.76 0.23 2.79 0.04 -1.26 -4.95 135.00 137.72 3i76 s PRO 213 Ca 0.16 0.83 -0.07 0.00 0.04 0.00 0.00 61.00 61.95 3i76 s PRO 213 Cb -0.16 -2.11 0.22 0.00 0.04 0.00 0.00 34.50 32.49 3i76 s PRO 213 CO 0.10 -0.42 1.88 1.15 0.04 0.00 0.00 177.00 179.75 3i76 h THR 214 N 0.26 1.25 -3.98 1.26 2.02 -1.82 -3.44 112.91 108.46 3i76 h THR 214 Ca -0.45 -0.54 -0.22 0.00 0.77 0.00 0.00 66.41 65.97 3i76 h THR 214 Cb 1.19 -0.04 -0.20 0.00 -1.74 0.00 0.00 68.15 67.36 3i76 h THR 214 CO 0.62 0.26 -0.71 -0.31 0.37 0.00 0.00 175.52 175.75 3i76 s TYR 215 N -5.98 0.56 -0.03 3.16 2.02 -0.53 -5.01 117.35 111.54 3i76 s TYR 215 Ca -0.13 -0.62 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 3i76 s TYR 215 Cb 0.17 -0.35 0.01 0.00 -0.40 0.00 0.00 41.96 41.39 3i76 s TYR 215 CO 0.82 -0.15 -0.06 -2.00 -1.57 0.00 0.00 175.55 172.58 3i76 s GLU 216 N -2.06 0.84 0.15 -0.62 2.12 -1.26 -1.19 118.70 116.68 3i76 s GLU 216 Ca -0.07 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.10 3i76 s GLU 216 Cb -0.06 -0.81 -0.05 0.00 0.26 0.00 0.00 34.13 33.47 3i76 s GLU 216 CO -0.02 0.01 -0.05 0.96 -0.54 0.00 0.00 175.26 175.61 3i76 s ILE 217 N 0.55 0.92 -0.16 -3.70 -4.36 -0.53 -4.94 121.20 108.98 3i76 s ILE 217 Ca -0.08 -2.01 0.12 0.00 -0.26 0.00 0.00 60.65 58.42 3i76 s ILE 217 Cb -0.11 -1.95 -0.18 0.00 1.25 0.00 0.00 42.46 41.47 3i76 s ILE 217 CO 0.00 -0.65 0.02 0.54 0.24 0.00 0.00 174.94 175.10 3i76 n ARG 218 N -0.20 1.38 -4.14 0.37 3.00 -1.26 -1.01 116.66 114.80 3i76 n ARG 218 Ca -0.09 0.01 -0.15 0.00 -0.01 0.00 0.00 57.85 57.60 3i76 n ARG 218 Cb 0.62 -1.39 -0.14 0.00 0.00 0.00 0.00 32.46 31.54 3i76 n ARG 218 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3i76 s LYS 219 N -2.37 0.41 0.45 5.56 1.02 -1.26 -4.15 119.74 119.40 3i76 s LYS 219 Ca -0.10 -0.21 0.20 0.00 0.02 0.00 0.00 55.97 55.87 3i76 s LYS 219 Cb 0.05 -0.38 1.17 0.00 -0.52 0.00 0.00 37.83 38.15 3i76 s LYS 219 CO 0.60 0.10 1.91 -0.07 -0.92 0.00 0.00 175.35 176.97 3i76 h LEU 220 N 5.93 0.29 -2.63 3.17 3.38 -1.94 -1.24 115.31 122.27 3i76 h LEU 220 Ca -0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3i76 h LEU 220 Cb 1.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3i76 h LEU 220 CO 0.50 0.13 -0.01 1.05 0.09 0.00 0.00 178.44 180.20 3i76 h GLU 221 N 0.30 0.00 0.00 1.13 4.11 -1.89 -1.04 114.58 117.19 3i76 h GLU 221 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 3i76 h GLU 221 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3i76 h GLU 221 CO -0.11 0.01 0.04 0.93 0.07 0.00 0.00 179.01 179.96 3i76 h GLU 222 N 0.00 0.00 0.00 1.06 5.08 -1.65 -2.30 114.58 116.77 3i76 h GLU 222 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i76 h GLU 222 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i76 h GLU 222 CO 0.00 0.00 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.94 3i76 h LEU 223 N 0.00 0.00 -0.22 1.33 3.38 -1.39 -2.84 115.31 115.57 3i76 h LEU 223 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i76 h LEU 223 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3i76 h LEU 223 CO 0.00 0.00 0.14 1.88 0.09 0.00 0.00 178.44 180.55 3i76 h TYR 224 N 0.00 0.26 -0.21 1.13 0.05 -1.62 -1.31 116.97 115.26 3i76 h TYR 224 Ca -0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 3i76 h TYR 224 Cb 0.68 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 3i76 h TYR 224 CO 0.00 0.16 -0.02 1.25 -1.05 0.00 0.00 178.16 178.50 3i76 h HIS 225 N 0.28 0.42 -0.58 4.88 2.76 -1.73 -1.63 115.15 119.56 3i76 h HIS 225 Ca 0.08 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3i76 h HIS 225 Cb -0.02 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 3i76 h HIS 225 CO -0.07 0.59 0.38 0.82 -1.30 0.00 0.00 177.93 178.36 3i76 h ILE 226 N 0.12 0.96 -0.65 6.26 2.04 -1.40 -1.78 117.51 123.06 3i76 h ILE 226 Ca 0.06 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3i76 h ILE 226 Cb 0.44 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3i76 h ILE 226 CO 0.01 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.43 3i76 n LEU 227 N -4.47 3.92 -3.40 1.44 4.77 -0.51 -5.00 117.00 113.76 3i76 n LEU 227 Ca 0.08 -2.09 -0.18 0.00 -0.03 0.00 0.00 56.01 53.80 3i76 n LEU 227 Cb 0.29 -0.46 0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3i76 n LEU 227 CO 0.34 0.91 0.13 0.59 -1.33 0.00 0.00 177.39 178.03 3i76 n ASN 228 N 1.33 -2.62 0.00 -1.43 3.02 -0.67 -5.00 115.26 109.89 3i76 n ASN 228 Ca 0.23 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3i76 n ASN 228 Cb 0.64 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 3i76 n ASN 228 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94