#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 3.92 0.20 1.64 1.04 -1.26 -5.05 118.95 119.44 3i76 s ARG 3 Ca 0.00 -0.36 -0.23 0.00 -1.04 0.00 0.00 55.73 54.11 3i76 s ARG 3 Cb 0.00 -3.34 -0.08 0.00 -2.04 0.00 0.00 34.95 29.49 3i76 s ARG 3 CO 0.00 0.09 0.76 0.71 -0.04 0.00 0.00 175.30 176.82 3i76 s TYR 4 N 0.90 3.77 -0.07 5.89 2.02 -1.26 -4.75 117.35 123.85 3i76 s TYR 4 Ca 0.05 1.53 0.11 0.00 -0.37 0.00 0.00 57.07 58.38 3i76 s TYR 4 Cb -0.14 -2.71 -0.15 0.00 -0.40 0.00 0.00 41.96 38.56 3i76 s TYR 4 CO 0.03 0.41 0.13 0.54 -1.57 0.00 0.00 175.55 175.08 3i76 n ARG 5 N 1.10 1.45 -4.27 -0.62 1.74 0.32 -4.97 116.66 111.40 3i76 n ARG 5 Ca -0.04 -0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.76 3i76 n ARG 5 Cb 0.50 -1.28 -0.17 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.49 0.94 -0.18 0.55 2.01 -0.94 -1.42 115.64 114.11 3i76 s THR 6 Ca -0.05 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.63 3i76 s THR 6 Cb 0.05 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.65 3i76 s THR 6 CO 0.46 0.33 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.80 3i76 s LEU 7 N 1.06 2.35 -0.26 4.42 1.43 -0.75 -1.45 118.68 125.48 3i76 s LEU 7 Ca -0.08 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.37 3i76 s LEU 7 Cb -0.14 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3i76 s LEU 7 CO -0.01 0.03 0.15 -0.76 0.23 0.00 0.00 176.35 175.99 3i76 s LEU 8 N 1.14 3.90 -0.16 1.79 1.43 0.84 -1.50 118.68 126.13 3i76 s LEU 8 Ca 0.01 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3i76 s LEU 8 Cb -0.14 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3i76 s LEU 8 CO -0.07 -0.01 -0.06 -0.36 0.23 0.00 0.00 176.35 176.09 3i76 s PHE 9 N 1.52 2.97 0.84 0.29 0.08 0.60 -0.54 117.98 123.75 3i76 s PHE 9 Ca 0.07 -0.47 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 3i76 s PHE 9 Cb -0.15 -1.96 0.10 0.00 -0.57 0.00 0.00 43.02 40.44 3i76 s PHE 9 CO 0.08 -0.16 1.16 0.34 -0.10 0.00 0.00 175.22 176.55 3i76 s ASP 10 N 0.55 3.46 -0.04 1.36 2.15 -0.23 -1.25 116.67 122.67 3i76 s ASP 10 Ca -0.04 2.22 -0.03 0.00 0.43 0.00 0.00 52.55 55.13 3i76 s ASP 10 Cb -0.15 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.89 3i76 s ASP 10 CO 0.03 -2.74 -0.06 0.52 -0.17 0.00 0.00 175.17 172.74 3i76 n VAL 11 N -3.68 0.37 -2.36 1.11 0.31 -1.26 -3.97 118.33 108.85 3i76 n VAL 11 Ca 0.12 0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 64.44 3i76 n VAL 11 Cb 0.51 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.70 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 -4.26 6.84 -1.48 4.52 1.01 -1.26 -1.09 116.67 120.95 3i76 s ASP 12 Ca -0.05 1.67 0.00 0.00 0.71 0.00 0.00 52.55 54.88 3i76 s ASP 12 Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3i76 s ASP 12 CO 0.08 -0.86 0.00 0.47 0.21 0.00 0.00 175.17 175.07 3i76 n ASP 13 N 6.93 -4.74 0.05 0.27 8.00 0.28 -4.80 116.55 122.53 3i76 n ASP 13 Ca 0.15 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3i76 n ASP 13 Cb 0.45 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 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 -3.29 0.84 -0.02 -3.53 -1.04 -0.70 -4.57 114.28 101.97 3i76 n THR 14 Ca -0.17 0.28 -0.01 0.00 -2.04 0.00 0.00 64.05 62.11 3i76 n THR 14 Cb 0.57 -1.45 -0.04 0.00 -1.82 0.00 0.00 70.33 67.59 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 -3.37 0.28 -4.20 12.58 -5.35 -0.25 -4.82 119.36 114.23 3i76 n ILE 15 Ca 0.00 -0.21 -0.35 0.00 -0.27 0.00 0.00 62.75 61.92 3i76 n ILE 15 Cb 0.11 -0.54 -0.08 0.00 -1.74 0.00 0.00 39.64 37.38 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 -4.15 3.82 -0.99 7.28 1.43 -0.47 -1.13 118.68 124.47 3i76 s LEU 16 Ca -0.03 0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 3i76 s LEU 16 Cb 0.02 -2.00 0.07 0.00 0.03 0.00 0.00 46.19 44.31 3i76 s LEU 16 CO 0.23 0.35 1.36 -0.62 0.23 0.00 0.00 176.35 177.90 3i76 s ASP 17 N -1.18 6.52 0.24 2.29 -1.08 0.36 -0.56 116.67 123.26 3i76 s ASP 17 Ca 0.17 -1.57 0.07 0.00 -0.52 0.00 0.00 52.55 50.70 3i76 s ASP 17 Cb -0.12 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.08 3i76 s ASP 17 CO 0.06 -1.41 1.56 0.15 0.52 0.00 0.00 175.17 176.06 3i76 h PHE 18 N 9.56 0.17 -0.78 -5.34 3.57 -1.91 -2.24 116.94 119.98 3i76 h PHE 18 Ca 0.17 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.67 3i76 h PHE 18 Cb 1.02 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 3i76 h PHE 18 CO 1.24 0.73 0.51 1.96 -2.23 0.00 0.00 178.31 180.52 3i76 h GLN 19 N 0.09 0.79 -0.20 1.11 1.08 -1.98 0.41 115.11 116.41 3i76 h GLN 19 Ca -0.01 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 3i76 h GLN 19 Cb 1.15 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 3i76 h GLN 19 CO 0.09 0.52 -0.47 0.00 -0.95 0.00 0.00 178.83 178.02 3i76 h ALA 20 N 1.58 0.32 -0.33 3.87 0.00 -1.90 -1.86 119.26 120.95 3i76 h ALA 20 Ca 0.34 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3i76 h ALA 20 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i76 h ALA 20 CO -0.12 0.48 -0.22 0.00 0.00 0.00 0.00 179.25 179.39 3i76 h ALA 21 N 0.59 0.47 -0.49 0.00 0.00 -0.88 -2.21 119.26 116.74 3i76 h ALA 21 Ca -0.00 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3i76 h ALA 21 Cb 1.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3i76 h ALA 21 CO 0.10 0.43 0.19 1.49 0.00 0.00 0.00 179.25 181.46 3i76 h GLU 22 N 0.49 0.36 -0.68 0.00 4.81 -0.24 0.60 114.58 119.93 3i76 h GLU 22 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3i76 h GLU 22 Cb 0.77 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3i76 h GLU 22 CO 0.06 0.24 0.44 0.00 -0.73 0.00 0.00 179.01 179.01 3i76 h ALA 23 N 1.32 0.86 0.21 2.92 0.00 -1.14 0.16 119.26 123.59 3i76 h ALA 23 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i76 h ALA 23 Cb 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i76 h ALA 23 CO -0.23 0.30 -0.10 1.25 0.00 0.00 0.00 179.25 180.47 3i76 h LEU 24 N 0.92 -0.23 -1.17 0.00 5.85 -1.22 -2.36 115.31 117.10 3i76 h LEU 24 Ca 0.25 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3i76 h LEU 24 Cb -0.08 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3i76 h LEU 24 CO -0.05 0.09 0.19 0.00 -0.34 0.00 0.00 178.44 178.33 3i76 h ALA 25 N 0.13 1.34 0.16 1.25 0.00 -0.64 -1.01 119.26 120.49 3i76 h ALA 25 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3i76 h ALA 25 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i76 h ALA 25 CO 0.05 0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 179.64 3i76 h LEU 26 N 0.76 -0.18 -0.59 0.00 3.38 -0.66 -0.01 115.31 118.01 3i76 h LEU 26 Ca 0.18 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.25 3i76 h LEU 26 Cb 0.19 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 3i76 h LEU 26 CO -0.01 -0.10 0.10 -0.09 0.09 0.00 0.00 178.44 178.42 3i76 h ARG 27 N -0.24 0.22 -0.46 1.13 2.43 -1.10 -1.95 114.38 114.41 3i76 h ARG 27 Ca -0.02 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3i76 h ARG 27 Cb 0.18 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3i76 h ARG 27 CO 0.04 0.15 0.02 -0.07 -1.51 0.00 0.00 179.97 178.59 3i76 h LEU 28 N 0.23 0.71 -0.27 3.80 3.38 -0.93 -0.53 115.31 121.71 3i76 h LEU 28 Ca 0.31 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3i76 h LEU 28 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3i76 h LEU 28 CO -0.42 0.77 0.04 0.25 0.09 0.00 0.00 178.44 179.17 3i76 h LEU 29 N 0.71 0.43 -0.61 1.67 5.85 -0.50 -1.35 115.31 121.50 3i76 h LEU 29 Ca 0.14 -0.26 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 3i76 h LEU 29 Cb 0.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3i76 h LEU 29 CO 0.01 0.58 -0.59 -0.26 -0.34 0.00 0.00 178.44 177.85 3i76 h PHE 30 N 0.26 0.43 -0.35 1.25 -1.00 -1.10 -0.05 116.94 116.37 3i76 h PHE 30 Ca 0.08 -0.16 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 3i76 h PHE 30 Cb 0.34 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 3i76 h PHE 30 CO 0.02 0.85 0.22 0.93 -1.61 0.00 0.00 178.31 178.72 3i76 h GLU 31 N 0.25 0.47 -0.69 1.51 5.08 -1.08 -0.39 114.58 119.74 3i76 h GLU 31 Ca -0.00 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3i76 h GLU 31 Cb 1.11 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3i76 h GLU 31 CO 0.10 0.34 0.43 0.22 -1.00 0.00 0.00 179.01 179.10 3i76 h ASP 32 N 0.46 0.69 0.05 1.42 3.58 -0.66 -2.02 116.42 119.95 3i76 h ASP 32 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3i76 h ASP 32 Cb -0.01 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.89 3i76 h ASP 32 CO -0.03 0.48 -0.03 0.00 -2.88 0.00 0.00 179.24 176.79 3i76 n GLN 33 N -4.68 1.30 -3.89 0.28 1.13 -0.09 -4.94 117.38 106.49 3i76 n GLN 33 Ca 0.07 -0.56 -0.26 0.00 -1.94 0.00 0.00 57.00 54.31 3i76 n GLN 33 Cb 0.09 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 28.96 3i76 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i76 n ASN 34 N -0.36 -1.88 -4.22 1.08 3.02 -0.26 -4.99 115.26 107.64 3i76 n ASN 34 Ca 0.20 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.52 3i76 n ASN 34 Cb 0.27 -3.53 -0.15 0.00 -0.61 0.00 0.00 39.78 35.75 3i76 n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i76 s ILE 35 N -3.65 2.53 0.24 2.41 1.01 -0.59 -5.04 121.20 118.11 3i76 s ILE 35 Ca 0.23 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 3i76 s ILE 35 Cb -0.12 -2.07 -0.12 0.00 0.01 0.00 0.00 42.46 40.16 3i76 s ILE 35 CO 0.86 0.51 1.60 -2.65 0.00 0.00 0.00 174.94 175.26 3i76 n PRO 36 N 4.29 2.54 -3.71 2.79 -0.02 -1.26 -4.55 135.00 135.07 3i76 n PRO 36 Ca -0.20 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 3i76 n PRO 36 Cb 0.51 -2.69 -0.12 0.00 -0.02 0.00 0.00 33.50 31.18 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 0.28 3.91 0.33 2.45 2.96 -1.26 -5.09 118.68 122.26 3i76 s LEU 37 Ca 0.70 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3i76 s LEU 37 Cb -0.55 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 3i76 s LEU 37 CO 0.43 -0.17 0.49 0.42 -1.32 0.00 0.00 176.35 176.20 3i76 s THR 38 N 1.57 4.54 0.21 3.68 -4.23 -1.26 -4.99 115.64 115.15 3i76 s THR 38 Ca 0.04 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.64 3i76 s THR 38 Cb -0.17 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.20 3i76 s THR 38 CO 0.04 -0.30 1.79 -1.13 -0.54 0.00 0.00 174.62 174.48 3i76 h ASN 39 N 0.85 0.46 -0.65 3.99 -1.24 -2.00 -2.16 115.58 114.83 3i76 h ASN 39 Ca -0.48 0.04 0.08 0.00 0.71 0.00 0.00 56.30 56.65 3i76 h ASN 39 Cb 1.24 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 40.19 3i76 h ASN 39 CO 0.57 0.29 0.33 -0.78 -1.29 0.00 0.00 177.43 176.55 3i76 h ASP 40 N 0.60 0.44 -0.93 1.15 3.58 -1.99 -1.90 116.42 117.37 3i76 h ASP 40 Ca 0.30 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.81 3i76 h ASP 40 Cb 0.26 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.23 3i76 h ASP 40 CO -0.22 0.27 0.59 0.24 -2.88 0.00 0.00 179.24 177.24 3i76 h MET 41 N 0.59 1.24 -0.45 0.28 2.86 -1.79 -0.28 114.93 117.37 3i76 h MET 41 Ca 0.31 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 3i76 h MET 41 Cb 0.28 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3i76 h MET 41 CO -0.23 0.85 0.28 0.87 1.06 0.00 0.00 176.91 179.74 3i76 h LYS 42 N 1.27 0.56 -0.77 1.72 1.57 -1.07 0.15 116.57 119.99 3i76 h LYS 42 Ca 0.34 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3i76 h LYS 42 Cb -0.10 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 3i76 h LYS 42 CO -0.07 0.37 0.39 0.00 -0.57 0.00 0.00 179.45 179.58 3i76 h ALA 43 N 1.19 1.24 -0.13 3.86 0.00 -0.63 -1.46 119.26 123.32 3i76 h ALA 43 Ca 0.17 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3i76 h ALA 43 Cb -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3i76 h ALA 43 CO -0.06 0.60 -0.68 1.96 0.00 0.00 0.00 179.25 181.07 3i76 h GLN 44 N 1.09 0.52 -0.16 0.00 1.08 -0.72 -2.06 115.11 114.87 3i76 h GLN 44 Ca 0.27 -0.39 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3i76 h GLN 44 Cb 0.07 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3i76 h GLN 44 CO -0.04 1.01 0.08 -0.92 -0.95 0.00 0.00 178.83 178.01 3i76 h TYR 45 N 0.37 0.15 -0.34 2.96 3.20 -0.43 0.17 116.97 123.04 3i76 h TYR 45 Ca -0.02 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3i76 h TYR 45 Cb 1.25 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 3i76 h TYR 45 CO 0.05 0.09 -0.06 0.87 -1.64 0.00 0.00 178.16 177.46 3i76 h LYS 46 N 0.17 0.02 -0.68 1.82 6.56 -1.11 0.77 116.57 124.11 3i76 h LYS 46 Ca 0.06 -0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.58 3i76 h LYS 46 Cb 0.01 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.64 3i76 h LYS 46 CO -0.04 0.01 0.14 1.15 -2.06 0.00 0.00 179.45 178.66 3i76 h THR 47 N 0.02 1.26 0.04 -0.16 2.02 -0.79 -1.46 112.91 113.85 3i76 h THR 47 Ca 0.16 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 3i76 h THR 47 Cb 0.25 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3i76 h THR 47 CO -0.33 0.38 -0.02 0.40 0.37 0.00 0.00 175.52 176.32 3i76 h ILE 48 N 1.04 1.21 -0.20 3.11 2.04 -0.38 -1.58 117.51 122.75 3i76 h ILE 48 Ca 0.21 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3i76 h ILE 48 Cb 0.40 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3i76 h ILE 48 CO 0.01 0.21 -0.10 -1.13 0.00 0.00 0.00 178.15 177.14 3i76 h ASN 49 N -0.41 -0.32 -0.56 1.72 -1.24 -0.78 1.00 115.58 114.99 3i76 h ASN 49 Ca -0.01 0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.12 3i76 h ASN 49 Cb 0.38 0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 3i76 h ASN 49 CO 0.01 -0.13 0.33 1.56 -1.29 0.00 0.00 177.43 177.91 3i76 h GLN 50 N -0.07 0.62 -0.34 6.67 4.20 -1.28 -1.01 115.11 123.89 3i76 h GLN 50 Ca 0.11 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.84 3i76 h GLN 50 Cb 0.24 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 3i76 h GLN 50 CO -0.25 0.41 -0.01 0.78 -0.67 0.00 0.00 178.83 179.09 3i76 h GLY 51 N 0.64 0.32 0.87 3.46 0.00 -0.44 -0.36 103.07 107.57 3i76 h GLY 51 Ca 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3i76 h GLY 51 CO -0.12 -0.08 0.06 1.41 0.00 0.00 0.00 176.54 177.81 3i76 h LEU 52 N 0.08 0.22 -1.36 3.11 3.38 -0.32 -1.51 115.31 118.92 3i76 h LEU 52 Ca 0.16 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3i76 h LEU 52 Cb 0.23 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3i76 h LEU 52 CO -0.28 0.34 0.50 -0.50 0.09 0.00 0.00 178.44 178.58 3i76 h TRP 53 N 0.09 0.78 -0.40 1.13 4.06 -1.00 0.35 115.95 120.97 3i76 h TRP 53 Ca 0.05 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 3i76 h TRP 53 Cb 0.19 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.08 3i76 h TRP 53 CO -0.01 0.40 0.13 -0.09 -3.56 0.00 0.00 178.44 175.30 3i76 h ARG 54 N 0.76 0.61 -0.86 0.49 2.43 -0.63 0.56 114.38 117.75 3i76 h ARG 54 Ca 0.33 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3i76 h ARG 54 Cb 0.32 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 3i76 h ARG 54 CO -0.12 0.61 0.56 0.00 -1.51 0.00 0.00 179.97 179.52 3i76 h ALA 55 N 0.97 1.10 -0.28 2.80 0.00 -0.48 -1.44 119.26 121.93 3i76 h ALA 55 Ca 0.13 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i76 h ALA 55 Cb 0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3i76 h ALA 55 CO -0.00 0.46 0.10 0.35 0.00 0.00 0.00 179.25 180.15 3i76 h PHE 56 N 1.13 0.17 -0.24 0.00 3.57 -0.75 -0.35 116.94 120.48 3i76 h PHE 56 Ca 0.32 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.91 3i76 h PHE 56 Cb -0.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3i76 h PHE 56 CO -0.01 0.08 0.18 0.93 -2.23 0.00 0.00 178.31 177.25 3i76 h GLU 57 N 0.22 0.00 -0.60 1.11 5.08 0.12 -2.09 114.58 118.42 3i76 h GLU 57 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3i76 h GLU 57 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3i76 h GLU 57 CO -0.12 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.28 3i76 n GLU 58 N -4.39 2.56 -2.03 2.33 1.02 -0.71 -4.94 120.64 114.49 3i76 n GLU 58 Ca 0.03 -2.41 -0.07 0.00 -0.02 0.00 0.00 57.16 54.69 3i76 n GLU 58 Cb 0.33 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 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 1.57 0.17 0.22 0.62 0.00 -0.79 -4.92 105.19 102.06 3i76 n GLY 59 Ca 0.22 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.76 1.74 -3.66 1.61 4.76 -0.16 -4.98 118.16 115.72 3i76 n LYS 60 Ca -0.08 -0.48 -0.15 0.00 -2.87 0.00 0.00 58.31 54.73 3i76 n LYS 60 Cb 0.53 -1.26 -0.08 0.00 -1.84 0.00 0.00 35.03 32.37 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 -2.15 0.76 0.50 1.97 1.75 -1.22 -4.95 119.30 115.96 3i76 s MET 61 Ca 0.10 0.49 -0.17 0.00 -1.25 0.00 0.00 55.69 54.86 3i76 s MET 61 Cb 0.13 0.36 -0.08 0.00 2.84 0.00 0.00 34.83 38.07 3i76 s MET 61 CO 0.51 -0.16 0.98 0.95 -0.65 0.00 0.00 175.02 176.65 3i76 s THR 62 N -0.34 4.48 0.36 10.11 -4.23 -1.26 -4.30 115.64 120.46 3i76 s THR 62 Ca -0.05 1.26 0.07 0.00 -1.18 0.00 0.00 61.69 61.79 3i76 s THR 62 Cb -0.03 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.42 3i76 s THR 62 CO 0.04 -0.61 1.94 0.08 -0.54 0.00 0.00 174.62 175.52 3i76 h ARG 63 N 1.10 0.70 -0.78 3.99 -0.00 -1.99 -0.42 114.38 116.99 3i76 h ARG 63 Ca -0.47 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.98 59.42 3i76 h ARG 63 Cb 1.18 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.97 30.96 3i76 h ARG 63 CO 0.61 0.46 0.32 -0.44 -0.00 0.00 0.00 179.97 180.93 3i76 h ASP 64 N 0.72 1.06 -0.42 0.08 3.32 -1.99 -2.41 116.42 116.78 3i76 h ASP 64 Ca 0.34 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3i76 h ASP 64 Cb 0.39 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3i76 h ASP 64 CO -0.12 0.94 0.08 -0.08 -1.72 0.00 0.00 179.24 178.33 3i76 h GLU 65 N 1.13 0.69 -0.28 3.56 4.81 -1.48 -0.60 114.58 122.41 3i76 h GLU 65 Ca 0.26 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3i76 h GLU 65 Cb 0.20 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 3i76 h GLU 65 CO -0.02 0.71 -0.32 0.28 -0.73 0.00 0.00 179.01 178.93 3i76 h VAL 66 N 0.55 0.25 0.04 0.32 2.07 -1.12 -0.99 116.25 117.38 3i76 h VAL 66 Ca 0.13 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.40 3i76 h VAL 66 Cb 0.35 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3i76 h VAL 66 CO 0.01 0.00 -1.24 -0.37 0.02 0.00 0.00 177.57 175.99 3i76 h VAL 67 N -0.32 1.46 -0.01 2.57 -1.51 -1.35 -2.65 116.25 114.44 3i76 h VAL 67 Ca 0.14 -3.15 0.00 0.00 -1.23 0.00 0.00 66.70 62.45 3i76 h VAL 67 Cb 0.54 2.78 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 3i76 h VAL 67 CO -0.45 0.86 -0.07 0.59 -1.23 0.00 0.00 177.57 177.27 3i76 n ASN 68 N -3.35 1.34 -0.00 4.19 5.03 -0.24 -4.01 115.26 118.22 3i76 n ASN 68 Ca -0.07 -1.31 0.03 0.00 0.87 0.00 0.00 54.58 54.10 3i76 n ASN 68 Cb 0.99 0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 39.74 3i76 n ASN 68 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3i76 n THR 69 N -0.08 0.00 -0.29 3.41 -2.24 -0.38 -3.13 114.28 111.58 3i76 n THR 69 Ca 0.17 -0.24 0.06 0.00 -2.27 0.00 0.00 64.05 61.77 3i76 n THR 69 Cb 0.35 0.65 0.21 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.59 0.00 -0.78 0.11 -1.60 0.32 114.38 113.01 3i76 h ARG 70 Ca 0.00 -0.04 -0.25 0.00 0.10 0.00 0.00 59.98 59.80 3i76 h ARG 70 Cb 0.21 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.17 3i76 h ARG 70 CO 0.00 0.39 -0.99 0.74 0.10 0.00 0.00 179.97 180.21 3i76 h PHE 71 N 0.61 0.81 -0.57 4.08 0.04 -1.86 -1.93 116.94 118.12 3i76 h PHE 71 Ca 0.44 -0.44 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 3i76 h PHE 71 Cb 0.61 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 3i76 h PHE 71 CO -0.10 1.27 -0.04 0.66 -0.60 0.00 0.00 178.31 179.50 3i76 h SER 72 N 0.30 1.02 -0.52 2.17 4.64 -1.78 -1.46 113.55 117.92 3i76 h SER 72 Ca -0.10 -0.32 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 3i76 h SER 72 Cb 1.64 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 3i76 h SER 72 CO 0.18 1.10 0.17 0.00 -0.87 0.00 0.00 176.83 177.41 3i76 h ALA 73 N 0.96 0.68 0.10 5.18 0.00 -0.95 -1.02 119.26 124.21 3i76 h ALA 73 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i76 h ALA 73 Cb 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i76 h ALA 73 CO 0.04 0.34 -0.05 1.25 0.00 0.00 0.00 179.25 180.82 3i76 h LEU 74 N 0.71 -0.12 -1.04 0.00 5.85 -1.26 -3.22 115.31 116.24 3i76 h LEU 74 Ca 0.17 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3i76 h LEU 74 Cb 0.27 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3i76 h LEU 74 CO -0.01 0.03 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.59 3i76 h LEU 75 N -0.26 0.04 -1.30 2.25 3.38 -1.13 -1.89 115.31 116.39 3i76 h LEU 75 Ca -0.01 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.03 3i76 h LEU 75 Cb 0.22 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3i76 h LEU 75 CO 0.02 0.50 0.54 0.50 0.09 0.00 0.00 178.44 180.09 3i76 h LYS 76 N 0.04 0.75 0.00 1.13 1.63 -1.01 -0.26 116.57 118.84 3i76 h LYS 76 Ca -0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3i76 h LYS 76 Cb 0.83 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 3i76 h LYS 76 CO 0.06 0.49 0.00 0.39 -3.45 0.00 0.00 179.45 176.95 3i76 n GLU 77 N -4.51 0.07 -0.16 1.90 1.02 -0.71 -2.02 120.64 116.22 3i76 n GLU 77 Ca 0.14 0.25 0.07 0.00 -0.02 0.00 0.00 57.16 57.60 3i76 n GLU 77 Cb 0.33 -1.62 0.14 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.74 0.31 -0.87 -0.32 4.02 -0.58 -4.98 117.16 113.00 3i76 n TYR 78 Ca 0.04 -0.77 0.00 0.00 -0.01 0.00 0.00 57.90 57.15 3i76 n TYR 78 Cb 0.23 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 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 -0.69 0.56 3.86 2.72 0.00 -0.85 -5.05 105.19 105.74 3i76 n GLY 79 Ca 0.13 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 3.57 -0.29 1.61 1.51 -0.21 -4.97 117.35 116.57 3i76 s TYR 80 Ca 0.00 0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 56.44 3i76 s TYR 80 Cb 0.00 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 3i76 s TYR 80 CO 0.00 0.67 0.24 -2.00 -1.11 0.00 0.00 175.55 173.36 3i76 s GLU 81 N -0.82 3.89 0.07 -0.62 2.56 -1.26 -2.80 118.70 119.72 3i76 s GLU 81 Ca 0.14 -0.28 0.07 0.00 0.00 0.00 0.00 54.97 54.90 3i76 s GLU 81 Cb -0.12 -3.68 -0.03 0.00 2.00 0.00 0.00 34.13 32.30 3i76 s GLU 81 CO 0.03 -0.25 -0.19 0.00 -0.56 0.00 0.00 175.26 174.29 3i76 s ALA 82 N 1.84 1.63 -0.76 6.30 0.00 -1.26 -5.08 121.76 124.43 3i76 s ALA 82 Ca 0.09 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 3i76 s ALA 82 Cb -0.16 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.75 3i76 s ALA 82 CO 0.11 0.33 1.25 0.34 0.00 0.00 0.00 175.76 177.79 3i76 s ASP 83 N -1.58 6.20 0.27 0.00 -1.08 -1.26 -4.72 116.67 114.50 3i76 s ASP 83 Ca 0.05 -0.63 -0.01 0.00 -0.52 0.00 0.00 52.55 51.44 3i76 s ASP 83 Cb -0.09 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.30 3i76 s ASP 83 CO 0.03 -1.75 1.84 1.23 0.52 0.00 0.00 175.17 177.04 3i76 h GLY 84 N 12.76 1.51 1.42 2.66 0.00 -1.94 -1.88 103.07 117.59 3i76 h GLY 84 Ca -0.23 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.56 3i76 h GLY 84 CO 1.28 0.19 -0.42 0.00 0.00 0.00 0.00 176.54 177.59 3i76 h ALA 85 N 1.49 0.78 -0.20 3.60 0.00 -1.88 -1.47 119.26 121.59 3i76 h ALA 85 Ca 0.45 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3i76 h ALA 85 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i76 h ALA 85 CO -0.24 0.66 -0.15 1.25 0.00 0.00 0.00 179.25 180.76 3i76 h LEU 86 N 0.52 0.48 -0.68 0.00 5.85 -1.80 -2.26 115.31 117.42 3i76 h LEU 86 Ca 0.04 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3i76 h LEU 86 Cb 0.94 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3i76 h LEU 86 CO 0.08 0.83 0.44 -0.07 -0.34 0.00 0.00 178.44 179.38 3i76 h LEU 87 N 0.13 0.75 -1.22 2.25 3.38 -1.28 -1.84 115.31 117.49 3i76 h LEU 87 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3i76 h LEU 87 Cb 0.68 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3i76 h LEU 87 CO 0.04 0.53 0.18 -0.08 0.09 0.00 0.00 178.44 179.21 3i76 h GLU 88 N 0.89 0.73 -0.48 1.13 4.57 -1.25 0.16 114.58 120.32 3i76 h GLU 88 Ca 0.26 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3i76 h GLU 88 Cb -0.06 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 3i76 h GLU 88 CO -0.07 0.62 0.28 0.37 -1.18 0.00 0.00 179.01 179.02 3i76 h GLN 89 N 0.72 0.67 -0.34 1.92 4.15 -0.74 -1.02 115.11 120.48 3i76 h GLN 89 Ca 0.17 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 3i76 h GLN 89 Cb 0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3i76 h GLN 89 CO -0.01 0.50 -0.31 0.87 -1.93 0.00 0.00 178.83 177.95 3i76 h LYS 90 N 0.64 0.80 -0.80 1.69 1.57 -0.88 -2.79 116.57 116.80 3i76 h LYS 90 Ca 0.17 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3i76 h LYS 90 Cb 0.02 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3i76 h LYS 90 CO -0.03 1.05 0.52 -0.92 -0.57 0.00 0.00 179.45 179.50 3i76 h TYR 91 N 0.58 0.98 -0.56 -1.35 3.20 -0.77 -1.14 116.97 117.91 3i76 h TYR 91 Ca 0.06 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3i76 h TYR 91 Cb 0.89 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3i76 h TYR 91 CO 0.07 0.59 0.05 -0.09 -1.64 0.00 0.00 178.16 177.15 3i76 h ARG 92 N 1.04 0.92 -0.26 1.82 9.65 -1.05 0.11 114.38 126.62 3i76 h ARG 92 Ca 0.30 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3i76 h ARG 92 Cb -0.06 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3i76 h ARG 92 CO -0.09 0.88 0.11 -0.09 2.80 0.00 0.00 179.97 183.59 3i76 h ARG 93 N 0.86 0.38 -0.01 0.20 2.43 -1.17 -2.77 114.38 114.29 3i76 h ARG 93 Ca 0.17 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3i76 h ARG 93 Cb 0.43 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3i76 h ARG 93 CO 0.01 0.39 -0.34 0.74 -1.51 0.00 0.00 179.97 179.26 3i76 h PHE 94 N 0.27 0.03 -0.23 2.20 0.04 -0.72 -2.46 116.94 116.07 3i76 h PHE 94 Ca 0.09 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.88 3i76 h PHE 94 Cb 0.15 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3i76 h PHE 94 CO -0.02 0.36 0.16 -0.07 -0.60 0.00 0.00 178.31 178.15 3i76 h LEU 95 N 0.02 0.16 -2.57 1.54 3.38 -0.51 -1.09 115.31 116.24 3i76 h LEU 95 Ca -0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i76 h LEU 95 Cb 0.62 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3i76 h LEU 95 CO 0.05 0.11 0.12 -0.33 0.09 0.00 0.00 178.44 178.47 3i76 h GLU 96 N 0.18 0.00 0.00 1.13 5.08 -1.32 -1.31 114.58 118.34 3i76 h GLU 96 Ca 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3i76 h GLU 96 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3i76 h GLU 96 CO -0.02 0.00 -0.22 1.49 -1.00 0.00 0.00 179.01 179.26 3i76 h GLU 97 N 0.00 0.00 -5.21 2.33 4.57 -1.33 -3.42 114.58 111.52 3i76 h GLU 97 Ca 0.01 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 57.55 3i76 h GLU 97 Cb 0.26 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.70 3i76 h GLU 97 CO -0.00 0.22 -0.11 0.20 -1.18 0.00 0.00 179.01 178.14 3i76 s GLY 98 N -4.30 1.84 -0.06 1.92 0.00 -0.50 -4.88 107.32 101.35 3i76 s GLY 98 Ca 0.03 -0.93 0.16 0.00 0.00 0.00 0.00 44.72 43.98 3i76 s GLY 98 CO 0.66 1.18 1.14 -2.39 0.00 0.00 0.00 173.10 173.68 3i76 n HIS 99 N 5.59 0.00 -1.87 1.90 1.44 -1.26 -4.83 115.22 116.18 3i76 n HIS 99 Ca -0.06 -0.65 -0.39 0.00 -2.01 0.00 0.00 57.72 54.61 3i76 n HIS 99 Cb 0.49 -0.15 0.02 0.00 0.12 0.00 0.00 29.99 30.47 3i76 n HIS 99 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3i76 s GLN 100 N -0.98 3.66 0.07 -1.40 1.11 -1.26 -4.41 119.66 116.45 3i76 s GLN 100 Ca 0.27 2.30 0.01 0.00 0.01 0.00 0.00 55.36 57.95 3i76 s GLN 100 Cb 0.29 -2.60 -0.04 0.00 -1.01 0.00 0.00 33.01 29.65 3i76 s GLN 100 CO -0.09 -0.80 0.17 -0.51 0.01 0.00 0.00 175.29 174.07 3i76 s LEU 101 N -2.81 4.19 0.47 2.90 1.43 -1.26 -0.49 118.68 123.11 3i76 s LEU 101 Ca 0.62 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.67 3i76 s LEU 101 Cb -0.41 -2.81 -0.07 0.00 0.03 0.00 0.00 46.19 42.92 3i76 s LEU 101 CO 0.52 0.17 1.22 -0.63 0.23 0.00 0.00 176.35 177.86 3i76 s ILE 102 N -1.48 2.86 -0.20 -0.59 -1.09 -0.28 -4.43 121.20 115.99 3i76 s ILE 102 Ca 0.33 0.66 -0.39 0.00 -2.23 0.00 0.00 60.65 59.03 3i76 s ILE 102 Cb -0.13 -3.34 -0.15 0.00 -1.58 0.00 0.00 42.46 37.26 3i76 s ILE 102 CO 0.26 0.01 1.74 -0.67 -1.23 0.00 0.00 174.94 175.04 3i76 n ASP 103 N -0.51 2.55 0.00 3.58 2.03 -1.26 -1.47 116.55 121.47 3i76 n ASP 103 Ca 0.07 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3i76 n ASP 103 Cb 0.47 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 3i76 n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i76 n GLY 104 N 4.08 0.82 0.19 0.27 0.00 -1.26 -4.60 105.19 104.70 3i76 n GLY 104 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 0.53 -0.04 4.61 0.00 -1.58 -1.77 119.26 121.02 3i76 h ALA 105 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i76 h ALA 105 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i76 h ALA 105 CO 0.00 0.12 -0.00 0.35 0.00 0.00 0.00 179.25 179.72 3i76 h PHE 106 N 0.52 -0.00 -0.49 0.00 3.57 -1.92 -0.94 116.94 117.69 3i76 h PHE 106 Ca 0.14 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 3i76 h PHE 106 Cb 0.16 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3i76 h PHE 106 CO -0.01 -0.00 -0.16 -0.44 -2.23 0.00 0.00 178.31 175.47 3i76 h ASP 107 N 0.01 0.95 0.27 0.41 3.32 -1.97 -1.00 116.42 118.41 3i76 h ASP 107 Ca 0.02 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3i76 h ASP 107 Cb 0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3i76 h ASP 107 CO -0.03 1.10 -0.17 0.25 -1.72 0.00 0.00 179.24 178.67 3i76 h LEU 108 N 0.83 -0.44 -0.76 1.55 5.85 -1.17 -1.25 115.31 119.92 3i76 h LEU 108 Ca 0.12 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3i76 h LEU 108 Cb 0.71 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3i76 h LEU 108 CO 0.05 -0.28 0.08 0.40 -0.34 0.00 0.00 178.44 178.36 3i76 h ILE 109 N -0.43 1.26 -0.61 4.05 1.08 -1.08 -0.06 117.51 121.71 3i76 h ILE 109 Ca -0.02 -1.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.34 3i76 h ILE 109 Cb 0.36 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 3i76 h ILE 109 CO 0.02 0.38 0.06 -1.28 -0.69 0.00 0.00 178.15 176.64 3i76 h SER 110 N 0.96 1.01 -0.01 1.72 0.87 -1.14 -1.10 113.55 115.86 3i76 h SER 110 Ca 0.19 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3i76 h SER 110 Cb 0.44 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3i76 h SER 110 CO 0.01 1.04 0.00 0.78 -0.53 0.00 0.00 176.83 178.14 3i76 h ASN 111 N 0.95 0.01 0.28 6.23 2.35 -0.97 -3.29 115.58 121.15 3i76 h ASN 111 Ca 0.18 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3i76 h ASN 111 Cb 0.49 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3i76 h ASN 111 CO 0.02 0.25 -0.26 -0.07 -1.65 0.00 0.00 177.43 175.72 3i76 h LEU 112 N -0.22 0.00 -1.53 1.61 3.38 -0.88 -2.78 115.31 114.89 3i76 h LEU 112 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i76 h LEU 112 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i76 h LEU 112 CO 0.00 0.26 0.28 -0.61 0.09 0.00 0.00 178.44 178.45 3i76 h GLN 113 N 0.00 0.59 0.00 1.13 -0.00 -1.27 -1.20 115.11 114.36 3i76 h GLN 113 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3i76 h GLN 113 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.82 3i76 h GLN 113 CO 0.03 0.41 0.00 1.04 0.00 0.00 0.00 178.83 180.31 3i76 n GLN 114 N -4.45 0.15 0.00 1.69 6.02 -1.05 -3.79 117.38 115.95 3i76 n GLN 114 Ca 0.04 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 3i76 n GLN 114 Cb 0.07 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.41 3i76 n GLN 114 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i76 n GLN 115 N -2.23 -0.00 -3.83 -1.09 6.02 -0.60 -5.10 117.38 110.55 3i76 n GLN 115 Ca -0.00 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 3i76 n GLN 115 Cb 0.09 -0.53 -0.07 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.02 0.07 -0.12 1.08 0.08 -0.56 -4.97 117.98 113.54 3i76 s PHE 116 Ca 0.00 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 3i76 s PHE 116 Cb 0.00 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.40 3i76 s PHE 116 CO 0.00 -0.52 0.54 -0.51 -0.10 0.00 0.00 175.22 174.63 3i76 s ASP 117 N -2.55 6.73 -0.08 1.36 1.01 -0.51 -4.49 116.67 118.14 3i76 s ASP 117 Ca 0.01 0.87 0.02 0.00 0.71 0.00 0.00 52.55 54.17 3i76 s ASP 117 Cb 0.02 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3i76 s ASP 117 CO -0.08 -0.06 -0.15 -0.76 0.21 0.00 0.00 175.17 174.33 3i76 s LEU 118 N 0.86 2.65 0.06 1.23 1.43 -1.26 -1.81 118.68 121.83 3i76 s LEU 118 Ca 0.28 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3i76 s LEU 118 Cb -0.16 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3i76 s LEU 118 CO 0.12 0.26 -0.11 -0.31 0.23 0.00 0.00 176.35 176.53 3i76 s TYR 119 N -0.21 0.97 -0.14 0.29 2.02 -0.56 0.21 117.35 119.93 3i76 s TYR 119 Ca 0.00 -0.46 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 3i76 s TYR 119 Cb -0.13 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 3i76 s TYR 119 CO 0.03 -0.00 0.13 0.42 -1.57 0.00 0.00 175.55 174.56 3i76 s ILE 120 N -1.27 5.40 -0.23 2.71 1.01 -0.90 -0.29 121.20 127.64 3i76 s ILE 120 Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3i76 s ILE 120 Cb -0.10 -3.39 0.06 0.00 0.01 0.00 0.00 42.46 39.04 3i76 s ILE 120 CO 0.01 0.56 -0.07 0.68 0.00 0.00 0.00 174.94 176.12 3i76 s VAL 121 N -0.56 1.61 -0.10 2.92 -7.23 -0.38 -1.00 120.40 115.66 3i76 s VAL 121 Ca 0.12 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 3i76 s VAL 121 Cb -0.12 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 35.06 3i76 s VAL 121 CO 0.02 -0.02 0.24 0.28 -0.31 0.00 0.00 175.10 175.31 3i76 s THR 122 N 1.37 -0.04 -0.12 5.32 -1.32 -0.93 -3.86 115.64 116.06 3i76 s THR 122 Ca -0.05 0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 60.29 3i76 s THR 122 Cb -0.18 -0.36 -0.02 0.00 -1.51 0.00 0.00 72.50 70.43 3i76 s THR 122 CO -0.07 0.05 0.89 0.20 -2.21 0.00 0.00 174.62 173.49 3i76 s ASN 123 N 1.09 7.09 0.00 8.08 0.01 -1.26 -0.79 114.94 129.16 3i76 s ASN 123 Ca -0.08 1.34 0.00 0.00 -0.71 0.00 0.00 52.86 53.41 3i76 s ASN 123 Cb -0.09 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3i76 s ASN 123 CO -0.07 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.76 3i76 n GLY 124 N 3.25 -0.53 3.72 0.66 0.00 -1.26 -4.90 105.19 106.12 3i76 n GLY 124 Ca 0.05 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 3i76 n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i76 s VAL 125 N -3.05 5.15 0.09 1.61 1.01 -1.26 -3.35 120.40 120.61 3i76 s VAL 125 Ca 0.00 1.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.78 3i76 s VAL 125 Cb 0.00 -3.87 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 3i76 s VAL 125 CO 0.00 0.30 1.69 -1.28 0.00 0.00 0.00 175.10 175.81 3i76 h SER 126 N 6.76 -0.33 -0.71 3.32 0.87 -1.95 -1.11 113.55 120.39 3i76 h SER 126 Ca -0.41 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.30 3i76 h SER 126 Cb 1.18 0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 63.15 3i76 h SER 126 CO 0.76 -0.22 0.27 -0.74 -0.53 0.00 0.00 176.83 176.36 3i76 h HIS 127 N -0.36 0.46 -0.19 2.24 -0.00 -2.00 -1.74 115.15 113.56 3i76 h HIS 127 Ca -0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3i76 h HIS 127 Cb 0.29 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 3i76 h HIS 127 CO -0.08 0.07 -0.02 1.15 -0.00 0.00 0.00 177.93 179.05 3i76 h THR 128 N 0.42 1.27 -0.48 6.26 2.02 -1.81 -2.79 112.91 117.80 3i76 h THR 128 Ca 0.38 -0.95 -0.13 0.00 0.77 0.00 0.00 66.41 66.48 3i76 h THR 128 Cb 0.56 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3i76 h THR 128 CO -0.38 0.29 -0.21 1.56 0.37 0.00 0.00 175.52 177.15 3i76 h GLN 129 N 0.09 0.99 -0.23 6.66 1.08 -0.83 -2.05 115.11 120.81 3i76 h GLN 129 Ca 0.05 -0.42 -0.04 0.00 -1.45 0.00 0.00 58.65 56.79 3i76 h GLN 129 Cb 0.44 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3i76 h GLN 129 CO 0.01 1.10 0.01 1.88 -0.95 0.00 0.00 178.83 180.88 3i76 h TYR 130 N 0.84 0.44 -0.05 2.96 -1.99 -1.37 -0.14 116.97 117.66 3i76 h TYR 130 Ca 0.11 -0.07 0.02 0.00 2.00 0.00 0.00 58.73 60.78 3i76 h TYR 130 Cb 0.79 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.38 3i76 h TYR 130 CO 0.05 0.57 -0.04 -0.22 -0.00 0.00 0.00 178.16 178.53 3i76 h LYS 131 N 0.18 -0.05 -0.84 4.88 3.64 -1.48 0.32 116.57 123.22 3i76 h LYS 131 Ca 0.07 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3i76 h LYS 131 Cb 0.39 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3i76 h LYS 131 CO 0.01 -0.03 0.56 0.00 -2.27 0.00 0.00 179.45 177.72 3i76 h ARG 132 N -0.05 1.09 -0.39 1.90 3.08 -1.33 0.36 114.38 119.05 3i76 h ARG 132 Ca 0.04 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 3i76 h ARG 132 Cb 0.10 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3i76 h ARG 132 CO -0.08 0.72 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.16 3i76 h LEU 133 N 1.13 0.95 0.00 3.04 3.38 -0.45 -0.99 115.31 122.38 3i76 h LEU 133 Ca 0.31 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i76 h LEU 133 Cb -0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.38 3i76 h LEU 133 CO -0.07 1.20 -0.00 0.03 0.09 0.00 0.00 178.44 179.68 3i76 h ARG 134 N 0.72 -0.00 -0.05 1.13 3.08 0.28 -2.64 114.38 116.90 3i76 h ARG 134 Ca 0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3i76 h ARG 134 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3i76 h ARG 134 CO 0.08 0.14 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.53 3i76 h ASP 135 N -0.15 0.07 1.06 7.04 3.32 -0.24 -1.91 116.42 125.61 3i76 h ASP 135 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3i76 h ASP 135 Cb 0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i76 h ASP 135 CO 0.00 0.24 0.00 -1.54 -1.72 0.00 0.00 179.24 176.22 3i76 n SER 136 N -4.31 0.71 0.00 6.45 3.41 -0.38 -4.92 113.62 114.57 3i76 n SER 136 Ca -0.02 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3i76 n SER 136 Cb 0.25 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.61 0.78 0.10 5.00 0.00 -0.72 -4.94 105.19 106.01 3i76 n GLY 137 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.78 0.99 3.38 -1.75 -3.41 115.31 113.74 3i76 h LEU 138 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3i76 h LEU 138 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3i76 h LEU 138 CO 0.00 0.66 -0.31 0.15 0.09 0.00 0.00 178.44 179.04 3i76 h PHE 139 N 0.00 -0.81 0.00 1.13 3.57 -1.76 -2.47 116.94 116.60 3i76 h PHE 139 Ca -0.16 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3i76 h PHE 139 Cb 1.64 0.47 0.00 0.00 2.79 0.00 0.00 35.95 40.85 3i76 h PHE 139 CO 0.00 -0.38 0.00 -0.35 -2.23 0.00 0.00 178.31 175.35 3i76 n PRO 140 N -5.48 0.19 0.03 6.41 -0.04 -1.26 -2.71 135.00 132.15 3i76 n PRO 140 Ca 0.08 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 3i76 n PRO 140 Cb 0.39 -1.88 0.49 0.00 -0.04 0.00 0.00 33.50 32.46 3i76 n PRO 140 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i76 n PHE 141 N -2.24 0.26 -3.95 0.54 3.72 -0.93 -4.82 117.46 110.04 3i76 n PHE 141 Ca 0.02 0.09 -0.35 0.00 -0.05 0.00 0.00 57.45 57.15 3i76 n PHE 141 Cb 0.21 -0.64 -0.08 0.00 -0.94 0.00 0.00 39.48 38.03 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 3.38 0.24 1.38 0.08 -1.10 -4.63 117.98 114.28 3i76 s PHE 142 Ca 0.11 0.29 -0.06 0.00 0.12 0.00 0.00 56.93 57.38 3i76 s PHE 142 Cb 0.14 -2.02 0.28 0.00 -0.57 0.00 0.00 43.02 40.86 3i76 s PHE 142 CO 0.47 0.40 1.89 0.87 -0.10 0.00 0.00 175.22 178.75 3i76 h LYS 143 N 5.97 1.13 -3.06 0.44 1.79 -0.56 -3.45 116.57 118.82 3i76 h LYS 143 Ca -0.45 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 57.93 3i76 h LYS 143 Cb 1.18 -0.25 -0.12 0.00 -1.58 0.00 0.00 32.23 31.46 3i76 h LYS 143 CO 0.66 0.75 0.17 0.34 -1.08 0.00 0.00 179.45 180.28 3i76 s ASP 144 N -5.94 -0.51 -0.07 0.86 -1.08 -1.25 -5.07 116.67 103.61 3i76 s ASP 144 Ca -0.13 -0.07 0.01 0.00 -0.52 0.00 0.00 52.55 51.85 3i76 s ASP 144 Cb 0.18 0.58 0.02 0.00 -1.46 0.00 0.00 42.92 42.24 3i76 s ASP 144 CO 0.80 -0.96 -0.10 -0.63 0.52 0.00 0.00 175.17 174.80 3i76 s ILE 145 N -3.76 0.97 -0.55 4.11 1.01 -1.26 -2.12 121.20 119.59 3i76 s ILE 145 Ca 0.02 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3i76 s ILE 145 Cb -0.01 -0.93 0.14 0.00 0.01 0.00 0.00 42.46 41.67 3i76 s ILE 145 CO -0.12 0.33 0.31 -0.36 0.00 0.00 0.00 174.94 175.09 3i76 s PHE 146 N 0.91 3.22 -0.03 3.97 0.08 -0.17 -4.95 117.98 121.00 3i76 s PHE 146 Ca -0.10 -3.19 -0.28 0.00 0.12 0.00 0.00 56.93 53.48 3i76 s PHE 146 Cb -0.15 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 3i76 s PHE 146 CO 0.01 -0.70 0.89 0.08 -0.10 0.00 0.00 175.22 175.39 3i76 s VAL 147 N -0.51 4.92 0.23 -0.44 1.01 -1.26 -2.20 120.40 122.15 3i76 s VAL 147 Ca 0.19 1.85 -0.15 0.00 0.00 0.00 0.00 61.98 63.87 3i76 s VAL 147 Cb -0.22 -4.23 0.26 0.00 0.00 0.00 0.00 36.38 32.20 3i76 s VAL 147 CO -0.03 0.18 1.58 0.77 0.00 0.00 0.00 175.10 177.59 3i76 h SER 148 N 6.82 -1.10 -0.89 3.32 4.64 -1.18 -1.44 113.55 123.73 3i76 h SER 148 Ca -0.40 0.27 0.20 0.00 -0.47 0.00 0.00 61.79 61.38 3i76 h SER 148 Cb 1.21 0.61 -0.11 0.00 -0.31 0.00 0.00 62.40 63.80 3i76 h SER 148 CO 0.76 -0.29 0.42 -0.08 -0.87 0.00 0.00 176.83 176.77 3i76 h GLU 149 N -0.05 0.47 0.00 4.77 4.81 -1.76 0.16 114.58 122.98 3i76 h GLU 149 Ca 0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3i76 h GLU 149 Cb 0.60 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3i76 h GLU 149 CO -0.86 0.31 0.00 -0.25 -0.73 0.00 0.00 179.01 177.48 3i76 n ASP 150 N -4.98 0.42 -0.04 1.04 8.00 -0.55 -3.66 116.55 116.79 3i76 n ASP 150 Ca 0.21 0.60 0.03 0.00 0.71 0.00 0.00 54.79 56.34 3i76 n ASP 150 Cb 0.59 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.96 0.52 -0.14 -3.53 -2.24 0.55 -4.99 114.28 102.48 3i76 n THR 151 Ca 0.03 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3i76 n THR 151 Cb 0.22 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.44 0.84 2.53 3.38 0.00 -1.13 -5.02 105.19 107.22 3i76 n GLY 152 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.44 -3.74 1.61 3.01 -1.25 -5.08 117.46 109.56 3i76 n PHE 153 Ca 0.00 -2.15 -0.11 0.00 1.01 0.00 0.00 57.45 56.20 3i76 n PHE 153 Cb 0.00 0.17 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 3i76 n PHE 153 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3i76 s GLN 154 N -3.10 0.86 0.48 -1.08 0.00 -1.26 -4.43 119.66 111.14 3i76 s GLN 154 Ca 0.27 -0.59 -0.24 0.00 -0.00 0.00 0.00 55.36 54.81 3i76 s GLN 154 Cb 0.01 0.37 -0.07 0.00 0.00 0.00 0.00 33.01 33.32 3i76 s GLN 154 CO 0.19 -0.29 1.39 0.15 0.00 0.00 0.00 175.29 176.73 3i76 s LYS 155 N -2.91 3.51 -0.09 9.60 1.02 -1.26 -1.21 119.74 128.40 3i76 s LYS 155 Ca -0.02 2.31 0.08 0.00 0.02 0.00 0.00 55.97 58.35 3i76 s LYS 155 Cb 0.00 -2.51 0.38 0.00 -0.52 0.00 0.00 37.83 35.18 3i76 s LYS 155 CO -0.06 -0.92 1.13 -0.35 -0.92 0.00 0.00 175.35 174.24 3i76 n PRO 156 N -0.48 2.65 -1.96 -1.68 -0.04 -1.26 -4.89 135.00 127.35 3i76 n PRO 156 Ca 0.07 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.65 3i76 n PRO 156 Cb 0.43 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.78 4.23 0.31 0.54 -1.94 -0.35 -4.64 119.30 115.68 3i76 s MET 157 Ca 0.26 2.35 0.08 0.00 -1.71 0.00 0.00 55.69 56.67 3i76 s MET 157 Cb 0.18 -3.12 0.89 0.00 2.01 0.00 0.00 34.83 34.80 3i76 s MET 157 CO 0.09 -0.52 1.66 1.57 -0.01 0.00 0.00 175.02 177.82 3i76 h LYS 158 N 5.76 0.28 -0.18 2.03 -0.00 -1.92 0.70 116.57 123.23 3i76 h LYS 158 Ca -0.45 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.65 60.14 3i76 h LYS 158 Cb 1.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.37 3i76 h LYS 158 CO 0.84 0.19 -0.08 0.93 -0.00 0.00 0.00 179.45 181.32 3i76 h GLU 159 N 0.29 0.28 -0.15 0.07 3.07 -1.93 -1.14 114.58 115.07 3i76 h GLU 159 Ca 0.64 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.35 3i76 h GLU 159 Cb 1.37 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3i76 h GLU 159 CO -0.62 0.37 -0.28 -0.92 -1.40 0.00 0.00 179.01 176.16 3i76 h TYR 160 N 0.27 0.58 -0.57 4.33 3.20 -1.13 -2.28 116.97 121.37 3i76 h TYR 160 Ca 0.06 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.64 3i76 h TYR 160 Cb 0.31 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3i76 h TYR 160 CO 0.01 0.91 0.03 0.74 -1.64 0.00 0.00 178.16 178.21 3i76 h PHE 161 N 0.08 1.07 -0.60 -3.82 0.04 -1.18 -1.50 116.94 111.03 3i76 h PHE 161 Ca 0.01 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 3i76 h PHE 161 Cb 0.87 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 3i76 h PHE 161 CO 0.10 0.95 0.33 -0.91 -0.60 0.00 0.00 178.31 178.18 3i76 h ASN 162 N 0.88 0.73 -0.66 2.17 2.35 -1.22 0.27 115.58 120.11 3i76 h ASN 162 Ca 0.17 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 3i76 h ASN 162 Cb 0.50 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 3i76 h ASN 162 CO 0.02 0.59 0.09 0.22 -1.65 0.00 0.00 177.43 176.70 3i76 h TYR 163 N 0.83 1.17 -0.50 1.19 3.20 -0.99 -1.80 116.97 120.06 3i76 h TYR 163 Ca 0.21 -0.17 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 3i76 h TYR 163 Cb 0.02 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 3i76 h TYR 163 CO 0.00 0.99 -0.08 0.28 -1.64 0.00 0.00 178.16 177.71 3i76 h VAL 164 N 1.01 1.27 -0.17 1.81 2.07 -0.20 -3.26 116.25 118.77 3i76 h VAL 164 Ca 0.20 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 3i76 h VAL 164 Cb 0.46 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3i76 h VAL 164 CO 0.02 0.42 -0.24 -0.26 0.02 0.00 0.00 177.57 177.53 3i76 h PHE 165 N 0.80 0.35 0.00 1.57 0.04 -0.05 -1.09 116.94 118.56 3i76 h PHE 165 Ca 0.13 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3i76 h PHE 165 Cb 0.63 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 3i76 h PHE 165 CO 0.05 0.54 -0.06 0.93 -0.60 0.00 0.00 178.31 179.17 3i76 h GLU 166 N 0.29 0.00 -0.39 1.51 5.08 -1.39 -2.70 114.58 116.98 3i76 h GLU 166 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3i76 h GLU 166 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3i76 h GLU 166 CO 0.04 0.06 0.00 0.54 -1.00 0.00 0.00 179.01 178.65 3i76 n ARG 167 N -3.35 2.47 -3.60 2.33 1.74 -0.44 -4.80 116.66 111.01 3i76 n ARG 167 Ca -0.01 -2.10 -0.40 0.00 -0.77 0.00 0.00 57.85 54.56 3i76 n ARG 167 Cb 0.22 -1.36 -0.11 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 -1.07 4.61 0.30 0.55 1.01 -1.02 -5.05 121.20 120.54 3i76 s ILE 168 Ca 0.30 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 3i76 s ILE 168 Cb 0.16 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 3i76 s ILE 168 CO 0.22 -0.19 1.37 -2.84 0.00 0.00 0.00 174.94 173.49 3i76 s PRO 169 N 1.57 4.31 -1.55 2.79 0.02 -1.26 -2.15 135.00 138.72 3i76 s PRO 169 Ca 0.03 2.27 -0.05 0.00 0.02 0.00 0.00 61.00 63.26 3i76 s PRO 169 Cb -0.19 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.26 3i76 s PRO 169 CO 0.07 -0.30 0.68 1.04 -0.33 0.00 0.00 177.00 178.16 3i76 n GLN 170 N 1.32 -5.31 -1.75 5.54 6.02 -1.26 -4.90 117.38 117.03 3i76 n GLN 170 Ca 0.02 0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 57.50 3i76 n GLN 170 Cb 0.41 -5.80 -0.03 0.00 1.02 0.00 0.00 30.24 25.84 3i76 n GLN 170 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3i76 s PHE 171 N -3.20 2.44 -0.21 1.08 2.19 -0.92 -4.98 117.98 114.38 3i76 s PHE 171 Ca 0.34 0.16 -0.01 0.00 0.33 0.00 0.00 56.93 57.74 3i76 s PHE 171 Cb -0.15 -4.13 0.06 0.00 -1.31 0.00 0.00 43.02 37.49 3i76 s PHE 171 CO 0.42 -4.52 -0.01 0.45 1.83 0.00 0.00 175.22 173.39 3i76 s SER 172 N 2.16 3.33 0.26 6.13 0.15 -1.26 -5.03 113.70 119.43 3i76 s SER 172 Ca 0.78 -0.97 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 3i76 s SER 172 Cb -0.46 -0.87 0.51 0.00 -1.71 0.00 0.00 66.02 63.49 3i76 s SER 172 CO 0.34 -0.27 1.63 0.00 1.20 0.00 0.00 173.24 176.15 3i76 h ALA 173 N 8.11 0.91 0.00 5.45 0.00 -1.93 -0.84 119.26 130.96 3i76 h ALA 173 Ca -0.17 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i76 h ALA 173 Cb 1.10 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3i76 h ALA 173 CO 0.37 -0.44 -0.03 1.49 0.00 0.00 0.00 179.25 180.65 3i76 h GLU 174 N 0.12 0.00 -0.27 0.00 4.81 -1.96 -2.18 114.58 115.10 3i76 h GLU 174 Ca 0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 3i76 h GLU 174 Cb 0.84 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3i76 h GLU 174 CO -0.68 0.03 0.00 0.72 -0.73 0.00 0.00 179.01 178.35 3i76 n HIS 175 N -3.27 0.96 -5.11 0.92 8.25 -0.35 -4.92 115.22 111.71 3i76 n HIS 175 Ca -0.02 -0.93 -0.32 0.00 -0.26 0.00 0.00 57.72 56.20 3i76 n HIS 175 Cb 0.18 -0.33 -0.15 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.86 2.50 -0.09 1.59 2.01 -0.82 -0.52 115.64 117.44 3i76 s THR 176 Ca 0.42 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.53 3i76 s THR 176 Cb 0.35 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.93 3i76 s THR 176 CO 0.08 0.58 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.17 3i76 s LEU 177 N -0.46 1.94 -0.15 4.42 2.96 -0.53 -3.40 118.68 123.47 3i76 s LEU 177 Ca 0.05 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 3i76 s LEU 177 Cb -0.12 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.31 3i76 s LEU 177 CO 0.01 0.11 0.23 -0.51 -1.32 0.00 0.00 176.35 174.88 3i76 s ILE 178 N 0.47 5.34 -0.18 6.68 2.07 -0.88 -0.11 121.20 134.60 3i76 s ILE 178 Ca -0.17 0.42 0.01 0.00 -1.41 0.00 0.00 60.65 59.50 3i76 s ILE 178 Cb -0.17 -3.55 0.01 0.00 0.13 0.00 0.00 42.46 38.88 3i76 s ILE 178 CO 0.07 0.46 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.75 3i76 s ILE 179 N 0.01 2.23 0.11 2.00 1.09 0.30 -0.90 121.20 126.04 3i76 s ILE 179 Ca 0.15 -0.89 -0.25 0.00 -1.10 0.00 0.00 60.65 58.55 3i76 s ILE 179 Cb -0.13 -1.94 0.08 0.00 -1.06 0.00 0.00 42.46 39.41 3i76 s ILE 179 CO 0.03 0.53 0.80 -0.83 -0.10 0.00 0.00 174.94 175.37 3i76 s GLY 180 N 1.21 -0.42 0.02 6.18 0.00 -0.84 -1.07 107.32 112.40 3i76 s GLY 180 Ca 0.03 0.53 0.22 0.00 0.00 0.00 0.00 44.72 45.49 3i76 s GLY 180 CO -0.10 0.17 0.85 2.09 0.00 0.00 0.00 173.10 176.11 3i76 n ASP 181 N -0.35 0.55 -4.59 1.64 5.75 -1.26 -1.11 116.55 117.18 3i76 n ASP 181 Ca -0.10 -0.33 -0.41 0.00 -0.01 0.00 0.00 54.79 53.94 3i76 n ASP 181 Cb 0.62 1.15 -0.08 0.00 -1.03 0.00 0.00 41.12 41.78 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 -3.90 6.36 0.29 -1.12 0.15 -1.26 -4.79 113.70 109.43 3i76 s SER 182 Ca 0.02 0.22 -0.00 0.00 0.70 0.00 0.00 55.95 56.89 3i76 s SER 182 Cb 0.15 -2.27 0.50 0.00 -1.71 0.00 0.00 66.02 62.68 3i76 s SER 182 CO 0.85 -0.38 1.89 -0.07 1.20 0.00 0.00 173.24 176.72 3i76 h LEU 183 N 8.94 0.95 0.12 3.45 3.38 -1.97 -1.51 115.31 128.69 3i76 h LEU 183 Ca -0.29 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.47 3i76 h LEU 183 Cb 1.13 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.70 3i76 h LEU 183 CO 0.74 0.59 -1.11 0.71 0.09 0.00 0.00 178.44 179.47 3i76 h THR 184 N 1.07 1.26 0.19 0.22 1.35 -1.95 0.22 112.91 115.27 3i76 h THR 184 Ca 0.42 -2.46 -0.26 0.00 -0.55 0.00 0.00 66.41 63.56 3i76 h THR 184 Cb 0.24 2.94 0.03 0.00 -1.73 0.00 0.00 68.15 69.63 3i76 h THR 184 CO -0.17 0.70 -1.13 0.00 -0.25 0.00 0.00 175.52 174.66 3i76 h ALA 185 N 0.00 -0.12 0.00 6.62 0.00 -1.90 -2.77 119.26 121.10 3i76 h ALA 185 Ca -0.23 -0.77 -0.28 0.00 0.00 0.00 0.00 54.91 53.63 3i76 h ALA 185 Cb 1.68 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 3i76 h ALA 185 CO 0.09 0.53 -1.69 -0.25 0.00 0.00 0.00 179.25 177.93 3i76 n ASP 186 N -3.93 1.90 -0.05 0.00 8.00 -0.63 -3.86 116.55 117.98 3i76 n ASP 186 Ca -0.15 0.40 -0.06 0.00 0.71 0.00 0.00 54.79 55.69 3i76 n ASP 186 Cb 0.96 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.00 0.72 -0.48 0.53 1.08 -1.41 -0.95 117.51 116.00 3i76 h ILE 187 Ca -0.43 -1.52 -0.02 0.00 -0.39 0.00 0.00 64.86 62.50 3i76 h ILE 187 Cb 1.32 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 3i76 h ILE 187 CO -0.26 0.24 0.22 0.50 -0.69 0.00 0.00 178.15 178.16 3i76 h LYS 188 N -1.00 0.69 -0.30 2.37 3.64 -0.66 -0.31 116.57 121.01 3i76 h LYS 188 Ca -0.00 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3i76 h LYS 188 Cb 0.40 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3i76 h LYS 188 CO 0.00 0.60 0.01 0.78 -2.27 0.00 0.00 179.45 178.57 3i76 h GLY 189 N 0.63 0.30 0.96 5.01 0.00 -1.60 -1.38 103.07 106.99 3i76 h GLY 189 Ca 0.16 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 3i76 h GLY 189 CO -0.02 -0.05 -0.14 -1.33 0.00 0.00 0.00 176.54 175.00 3i76 h GLY 190 N 0.10 0.78 0.89 4.60 0.00 -1.00 -2.07 103.07 106.38 3i76 h GLY 190 Ca 0.14 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.80 3i76 h GLY 190 CO -0.23 0.63 0.06 -1.61 0.00 0.00 0.00 176.54 175.39 3i76 h GLN 191 N 0.51 0.13 0.00 4.80 4.15 -0.89 -0.70 115.11 123.11 3i76 h GLN 191 Ca 0.08 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 3i76 h GLN 191 Cb 0.67 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 3i76 h GLN 191 CO 0.05 0.09 -0.14 -0.07 -1.93 0.00 0.00 178.83 176.82 3i76 h LEU 192 N 0.14 0.00 -0.17 -2.39 3.38 -1.26 -1.28 115.31 113.73 3i76 h LEU 192 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i76 h LEU 192 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3i76 h LEU 192 CO -0.06 0.14 -0.00 0.00 0.09 0.00 0.00 178.44 178.60 3i76 n ALA 193 N -2.50 2.66 -0.29 1.53 0.00 -0.54 -4.91 120.51 116.46 3i76 n ALA 193 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3i76 n ALA 193 Cb 0.21 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.05 0.82 3.88 0.00 0.00 -0.48 -5.05 105.19 105.41 3i76 n GLY 194 Ca 0.22 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 4.18 0.58 0.99 1.43 -0.38 -4.57 118.68 120.90 3i76 s LEU 195 Ca 0.00 0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 3i76 s LEU 195 Cb 0.00 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 3i76 s LEU 195 CO 0.00 0.16 1.22 -1.81 0.23 0.00 0.00 176.35 176.15 3i76 s ASP 196 N -2.54 5.26 0.02 2.29 1.01 -1.22 -4.01 116.67 117.48 3i76 s ASP 196 Ca 0.33 2.42 0.04 0.00 0.71 0.00 0.00 52.55 56.05 3i76 s ASP 196 Cb -0.13 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 3i76 s ASP 196 CO 0.26 -1.55 -0.12 0.42 0.21 0.00 0.00 175.17 174.39 3i76 s THR 197 N -1.56 0.95 -0.18 -1.27 -4.23 -1.26 -2.08 115.64 106.02 3i76 s THR 197 Ca 0.76 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.51 3i76 s THR 197 Cb -0.31 -0.84 0.05 0.00 1.34 0.00 0.00 72.50 72.73 3i76 s THR 197 CO 0.34 0.09 -0.05 0.00 -0.54 0.00 0.00 174.62 174.47 3i76 s TRP 199 N 1.62 3.15 -0.65 0.00 -0.00 0.34 -1.99 118.94 121.41 3i76 s TRP 199 Ca -0.00 0.33 -0.27 0.00 -0.00 0.00 0.00 56.10 56.16 3i76 s TRP 199 Cb -0.16 -3.14 0.03 0.00 -0.00 0.00 0.00 33.47 30.21 3i76 s TRP 199 CO -0.07 -0.63 1.19 1.41 -0.00 0.00 0.00 176.95 178.84 3i76 s MET 200 N 2.70 3.34 -0.41 5.86 -2.45 -0.27 -0.91 119.30 127.16 3i76 s MET 200 Ca 0.24 -0.07 0.11 0.00 -1.25 0.00 0.00 55.69 54.72 3i76 s MET 200 Cb -0.14 -4.10 0.34 0.00 1.25 0.00 0.00 34.83 32.18 3i76 s MET 200 CO 0.15 -1.86 0.76 -1.71 1.05 0.00 0.00 175.02 173.40 3i76 n ASN 201 N 8.68 1.43 0.27 1.11 5.15 -0.12 -4.26 115.26 127.52 3i76 n ASN 201 Ca 0.05 -3.11 0.10 0.00 -0.60 0.00 0.00 54.58 51.01 3i76 n ASN 201 Cb 0.49 -0.61 0.70 0.00 -0.53 0.00 0.00 39.78 39.82 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 3.06 0.00 -0.63 1.20 0.13 -1.71 -3.08 132.00 130.97 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 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3i76 h PRO 202 CO 0.55 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.09 3i76 n ASP 203 N -4.34 4.01 -2.21 1.44 8.00 -1.26 -4.93 116.55 117.25 3i76 n ASP 203 Ca -0.03 -2.34 -0.15 0.00 0.71 0.00 0.00 54.79 52.98 3i76 n ASP 203 Cb 0.10 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 40.72 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 0.95 -3.91 -2.00 -1.24 2.81 -1.16 -4.98 117.12 107.59 3i76 n MET 204 Ca 0.22 0.58 -0.36 0.00 -1.81 0.00 0.00 57.70 56.33 3i76 n MET 204 Cb 0.75 -4.77 0.03 0.00 -0.71 0.00 0.00 33.22 28.52 3i76 n MET 204 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3i76 s LYS 205 N -5.49 2.97 0.43 0.03 1.02 -1.26 -4.98 119.74 112.46 3i76 s LYS 205 Ca 0.26 1.76 -0.22 0.00 0.02 0.00 0.00 55.97 57.79 3i76 s LYS 205 Cb -0.12 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.16 3i76 s LYS 205 CO 0.32 -1.19 1.01 -1.25 -0.92 0.00 0.00 175.35 173.32 3i76 s PRO 206 N -3.41 4.10 0.53 -1.68 0.04 -1.26 -5.04 135.00 128.28 3i76 s PRO 206 Ca 0.76 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.93 3i76 s PRO 206 Cb -0.29 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 3i76 s PRO 206 CO 0.33 -0.17 1.13 -0.80 0.04 0.00 0.00 177.00 177.53 3i76 s ASN 207 N -1.90 5.79 -0.00 6.66 0.01 -1.26 -5.08 114.94 119.16 3i76 s ASN 207 Ca 0.62 2.17 0.05 0.00 -0.71 0.00 0.00 52.86 54.99 3i76 s ASN 207 Cb -0.16 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.89 3i76 s ASN 207 CO 0.20 -1.17 -0.15 0.68 -1.51 0.00 0.00 177.10 175.16 3i76 s VAL 208 N -1.77 3.05 0.31 1.60 -7.23 -1.26 -5.05 120.40 110.04 3i76 s VAL 208 Ca 0.72 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 3i76 s VAL 208 Cb -0.24 -2.25 0.17 0.00 0.56 0.00 0.00 36.38 34.62 3i76 s VAL 208 CO 0.27 0.46 1.86 -0.65 -0.31 0.00 0.00 175.10 176.73 3i76 h PRO 209 N 4.88 0.71 0.00 4.82 0.11 -2.05 -2.60 132.00 137.88 3i76 h PRO 209 Ca -0.47 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3i76 h PRO 209 Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i76 h PRO 209 CO 0.50 0.66 0.00 0.39 -0.21 0.00 0.00 178.00 179.33 3i76 n GLU 210 N -4.29 0.41 -3.70 1.05 4.71 -1.26 -4.52 120.64 113.04 3i76 n GLU 210 Ca 0.03 0.04 -0.30 0.00 -0.01 0.00 0.00 57.16 56.92 3i76 n GLU 210 Cb 0.22 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.00 3i76 n GLU 210 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3i76 s ILE 211 N -2.52 0.81 -0.33 -3.67 1.01 -0.98 -5.08 121.20 110.44 3i76 s ILE 211 Ca 0.26 -1.50 -0.08 0.00 0.00 0.00 0.00 60.65 59.33 3i76 s ILE 211 Cb 0.17 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 41.06 3i76 s ILE 211 CO 0.38 -0.73 0.12 -0.63 0.00 0.00 0.00 174.94 174.09 3i76 s ILE 212 N 1.48 4.06 0.62 2.92 1.01 -1.26 -4.52 121.20 125.51 3i76 s ILE 212 Ca 0.11 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 3i76 s ILE 212 Cb -0.18 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3i76 s ILE 212 CO -0.22 -0.10 1.04 -2.16 0.00 0.00 0.00 174.94 173.50 3i76 s PRO 213 N 1.48 3.32 0.14 2.79 0.04 -1.26 -4.96 135.00 136.55 3i76 s PRO 213 Ca 0.01 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.91 3i76 s PRO 213 Cb -0.19 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.32 3i76 s PRO 213 CO 0.04 -0.80 1.69 1.15 0.04 0.00 0.00 177.00 179.12 3i76 h THR 214 N 0.00 1.20 -3.78 1.26 2.02 -1.55 -3.45 112.91 108.61 3i76 h THR 214 Ca -0.45 -0.63 -0.26 0.00 0.77 0.00 0.00 66.41 65.83 3i76 h THR 214 Cb 1.21 0.80 -0.16 0.00 -1.74 0.00 0.00 68.15 68.25 3i76 h THR 214 CO 0.58 0.23 -0.71 -0.31 0.37 0.00 0.00 175.52 175.69 3i76 s TYR 215 N -5.54 0.93 -0.05 3.16 2.02 -0.14 -4.98 117.35 112.74 3i76 s TYR 215 Ca -0.13 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 3i76 s TYR 215 Cb 0.11 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 3i76 s TYR 215 CO 0.76 -0.09 -0.07 -1.83 -1.57 0.00 0.00 175.55 172.75 3i76 s GLU 216 N -3.24 1.15 0.16 -0.62 -1.05 -1.26 -0.50 118.70 113.34 3i76 s GLU 216 Ca 0.07 -0.22 0.05 0.00 -0.15 0.00 0.00 54.97 54.73 3i76 s GLU 216 Cb 0.01 -1.06 -0.05 0.00 -0.44 0.00 0.00 34.13 32.60 3i76 s GLU 216 CO -0.02 -0.05 -0.10 0.96 0.95 0.00 0.00 175.26 177.00 3i76 s ILE 217 N 0.85 1.26 -0.08 1.83 -4.36 -0.09 -4.93 121.20 115.68 3i76 s ILE 217 Ca -0.12 -2.09 0.16 0.00 -0.26 0.00 0.00 60.65 58.34 3i76 s ILE 217 Cb -0.15 -1.92 -0.24 0.00 1.25 0.00 0.00 42.46 41.40 3i76 s ILE 217 CO 0.01 -0.69 0.25 0.54 0.24 0.00 0.00 174.94 175.29 3i76 n ARG 218 N -0.25 0.87 -3.89 0.37 5.12 -1.26 -0.94 116.66 116.67 3i76 n ARG 218 Ca -0.09 -0.10 -0.11 0.00 -1.93 0.00 0.00 57.85 55.62 3i76 n ARG 218 Cb 0.61 -1.41 -0.11 0.00 -1.16 0.00 0.00 32.46 30.39 3i76 n ARG 218 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i76 s LYS 219 N -2.87 0.29 0.36 5.56 1.02 -1.26 -4.07 119.74 118.77 3i76 s LYS 219 Ca -0.07 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 55.69 3i76 s LYS 219 Cb 0.08 0.12 0.72 0.00 -0.52 0.00 0.00 37.83 38.23 3i76 s LYS 219 CO 0.69 -0.06 1.99 -0.07 -0.92 0.00 0.00 175.35 176.98 3i76 h LEU 220 N 5.01 0.67 -2.41 3.17 3.38 -1.94 -1.99 115.31 121.19 3i76 h LEU 220 Ca -0.29 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3i76 h LEU 220 Cb 1.20 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i76 h LEU 220 CO 0.42 0.45 -0.01 1.05 0.09 0.00 0.00 178.44 180.45 3i76 h GLU 221 N 0.77 0.00 -0.02 1.13 4.11 -1.89 -0.94 114.58 117.73 3i76 h GLU 221 Ca 0.27 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.70 3i76 h GLU 221 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3i76 h GLU 221 CO -0.08 0.01 0.17 0.93 0.07 0.00 0.00 179.01 180.11 3i76 h GLU 222 N 0.00 0.00 0.00 1.06 5.08 -1.79 -1.49 114.58 117.44 3i76 h GLU 222 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3i76 h GLU 222 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3i76 h GLU 222 CO 0.00 0.00 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.75 3i76 h LEU 223 N 0.00 0.00 -0.82 1.33 3.38 -1.37 -2.79 115.31 115.04 3i76 h LEU 223 Ca 0.01 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3i76 h LEU 223 Cb 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3i76 h LEU 223 CO -0.00 0.19 0.45 1.88 0.09 0.00 0.00 178.44 181.05 3i76 h TYR 224 N 0.00 0.81 -0.05 1.13 0.05 -1.49 0.15 116.97 117.57 3i76 h TYR 224 Ca -0.00 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 3i76 h TYR 224 Cb 0.42 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 37.93 3i76 h TYR 224 CO 0.00 0.29 -0.41 1.25 -1.05 0.00 0.00 178.16 178.23 3i76 h HIS 225 N 0.72 0.51 -0.72 4.88 2.76 -1.72 -1.31 115.15 120.28 3i76 h HIS 225 Ca 0.41 -0.24 0.11 0.00 -2.20 0.00 0.00 60.37 58.45 3i76 h HIS 225 Cb 0.45 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 3i76 h HIS 225 CO -0.07 1.01 0.47 0.82 -1.30 0.00 0.00 177.93 178.86 3i76 h ILE 226 N -0.14 0.88 -0.06 6.26 2.04 -1.13 -0.71 117.51 124.65 3i76 h ILE 226 Ca -0.04 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3i76 h ILE 226 Cb 1.09 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3i76 h ILE 226 CO 0.08 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.51 3i76 n LEU 227 N -4.49 2.31 -2.82 1.44 4.77 -0.02 -4.98 117.00 113.21 3i76 n LEU 227 Ca 0.12 -0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 55.15 3i76 n LEU 227 Cb 0.41 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3i76 n LEU 227 CO 0.33 0.40 0.13 0.59 -1.33 0.00 0.00 177.39 177.51 3i76 n ASN 228 N 0.79 -3.37 0.00 -1.43 5.03 -0.27 -4.95 115.26 111.06 3i76 n ASN 228 Ca 0.17 -0.44 0.00 0.00 0.87 0.00 0.00 54.58 55.18 3i76 n ASN 228 Cb 0.48 -3.95 0.00 0.00 -1.02 0.00 0.00 39.78 35.29 3i76 n ASN 228 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73