#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s GLN 2 N 0.00 2.26 -0.07 2.12 1.03 -1.26 0.13 119.66 123.87 3i55 s GLN 2 Ca 0.00 -1.26 -0.01 0.00 0.04 0.00 0.00 55.36 54.13 3i55 s GLN 2 Cb 0.00 -2.23 0.03 0.00 0.03 0.00 0.00 33.01 30.84 3i55 s GLN 2 CO 0.00 0.42 0.00 0.00 -2.54 0.00 0.00 175.29 173.17 3i55 s ALA 3 N -1.91 0.70 -0.23 2.60 0.00 0.22 -4.58 121.76 118.55 3i55 s ALA 3 Ca 0.28 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 3i55 s ALA 3 Cb -0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3i55 s ALA 3 CO 0.18 -0.44 1.56 0.99 0.00 0.00 0.00 175.76 178.05 3i55 s THR 4 N 1.93 3.77 0.67 0.00 2.01 -1.26 -1.35 115.64 121.40 3i55 s THR 4 Ca 0.04 0.87 -0.12 0.00 0.31 0.00 0.00 61.69 62.79 3i55 s THR 4 Cb -0.12 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 3i55 s THR 4 CO -0.05 -0.33 1.06 -0.63 -0.69 0.00 0.00 174.62 173.98 3i55 s ILE 5 N 5.07 4.00 -0.01 1.82 1.01 -1.20 -4.41 121.20 127.47 3i55 s ILE 5 Ca 0.69 0.71 0.02 0.00 0.00 0.00 0.00 60.65 62.07 3i55 s ILE 5 Cb -0.23 -3.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 3i55 s ILE 5 CO 0.28 -0.79 -0.08 -0.31 0.00 0.00 0.00 174.94 174.03 3i55 s TYR 6 N -2.93 0.81 0.46 3.97 1.51 -0.89 -2.65 117.35 117.63 3i55 s TYR 6 Ca 0.59 -0.17 -0.14 0.00 -1.01 0.00 0.00 57.07 56.34 3i55 s TYR 6 Cb -0.14 -0.55 -0.07 0.00 -0.11 0.00 0.00 41.96 41.08 3i55 s TYR 6 CO 0.51 -0.05 0.89 0.16 -1.11 0.00 0.00 175.55 175.95 3i55 s ASP 7 N -0.02 6.59 0.00 2.29 -4.77 -0.57 -1.54 116.67 118.66 3i55 s ASP 7 Ca 0.00 1.38 0.00 0.00 -3.30 0.00 0.00 52.55 50.63 3i55 s ASP 7 Cb -0.05 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 3i55 s ASP 7 CO -0.00 -0.49 0.00 0.18 0.70 0.00 0.00 175.17 175.56 3i55 n LEU 8 N -1.40 0.00 -0.00 2.11 4.77 -1.26 0.17 117.00 121.38 3i55 n LEU 8 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3i55 n LEU 8 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3i55 n LEU 8 CO 0.47 0.00 -0.16 0.47 -1.33 0.00 0.00 177.39 176.83 3i55 n ASP 9 N -0.28 1.14 0.00 -1.43 8.00 -1.26 -4.81 116.55 117.91 3i55 n ASP 9 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3i55 n ASP 9 Cb 0.00 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 3i55 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i55 n GLY 10 N 1.41 0.52 3.89 0.44 0.00 0.13 -4.90 105.19 106.68 3i55 n GLY 10 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3i55 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i55 s ASN 11 N -2.98 6.42 0.99 1.61 0.01 -1.25 -4.86 114.94 114.87 3i55 s ASN 11 Ca 0.00 0.98 -0.12 0.00 -0.71 0.00 0.00 52.86 53.01 3i55 s ASN 11 Cb 0.00 -2.26 0.18 0.00 0.41 0.00 0.00 41.25 39.58 3i55 s ASN 11 CO 0.00 -0.42 1.08 0.42 -1.51 0.00 0.00 177.10 176.67 3i55 s THR 12 N -2.45 2.29 -0.36 1.60 -4.23 -1.26 -1.51 115.64 109.72 3i55 s THR 12 Ca 0.48 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 61.14 3i55 s THR 12 Cb -0.10 -2.47 0.24 0.00 1.34 0.00 0.00 72.50 71.51 3i55 s THR 12 CO 0.36 -0.12 1.22 -0.67 -0.54 0.00 0.00 174.62 174.86 3i55 n ASP 13 N -4.21 -1.57 0.00 3.99 -0.08 -1.09 -4.52 116.55 109.07 3i55 n ASP 13 Ca 0.06 -2.17 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 3i55 n ASP 13 Cb 0.56 1.09 0.00 0.00 2.34 0.00 0.00 41.12 45.11 3i55 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i55 n GLY 14 N -0.41 0.19 0.00 0.27 0.00 -1.26 -4.77 105.19 99.22 3i55 n GLY 14 Ca -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3i55 n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i55 n GLU 15 N 0.00 0.00 -4.31 1.61 0.28 -1.26 -3.27 120.64 113.69 3i55 n GLU 15 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 3i55 n GLU 15 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 3i55 n GLU 15 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i55 s VAL 16 N -1.67 0.98 0.15 3.84 1.01 -0.46 -4.87 120.40 119.38 3i55 s VAL 16 Ca 0.00 -2.03 -0.31 0.00 0.00 0.00 0.00 61.98 59.64 3i55 s VAL 16 Cb 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 3i55 s VAL 16 CO 0.00 -0.38 1.78 -1.81 0.00 0.00 0.00 175.10 174.69 3i55 s ASP 17 N -3.27 6.42 -0.33 3.32 1.01 -1.26 0.68 116.67 123.25 3i55 s ASP 17 Ca 0.27 2.78 -0.29 0.00 0.71 0.00 0.00 52.55 56.02 3i55 s ASP 17 Cb 0.05 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3i55 s ASP 17 CO 0.07 -0.98 1.24 -0.22 0.21 0.00 0.00 175.17 175.49 3i55 s LEU 18 N 2.19 3.85 0.60 1.23 2.96 0.35 -4.80 118.68 125.06 3i55 s LEU 18 Ca 0.78 1.08 -0.18 0.00 -0.22 0.00 0.00 54.13 55.60 3i55 s LEU 18 Cb -0.47 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.57 3i55 s LEU 18 CO 0.35 -1.07 0.21 -0.81 -1.32 0.00 0.00 176.35 173.70 3i55 n PRO 19 N 7.31 0.25 -0.32 0.98 -0.04 -1.26 -3.71 135.00 138.21 3i55 n PRO 19 Ca 0.14 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 3i55 n PRO 19 Cb 0.47 -1.43 0.35 0.00 -0.04 0.00 0.00 33.50 32.85 3i55 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i55 h ASP 20 N -0.04 0.73 -1.00 3.54 5.19 -1.93 -2.27 116.42 120.64 3i55 h ASP 20 Ca -0.44 0.07 0.13 0.00 -0.62 0.00 0.00 57.03 56.17 3i55 h ASP 20 Cb 1.40 -0.07 -0.09 0.00 0.18 0.00 0.00 39.33 40.76 3i55 h ASP 20 CO 0.43 0.30 0.63 -0.37 -3.12 0.00 0.00 179.24 177.11 3i55 h VAL 21 N 0.73 0.88 0.00 -1.35 -1.51 -1.90 0.28 116.25 113.38 3i55 h VAL 21 Ca 0.53 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 3i55 h VAL 21 Cb 0.85 -0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.87 3i55 h VAL 21 CO -0.30 0.17 0.00 0.49 -1.23 0.00 0.00 177.57 176.70 3i55 n PHE 22 N -4.63 0.00 -0.09 5.19 3.01 -0.85 0.14 117.46 120.22 3i55 n PHE 22 Ca 0.20 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.73 3i55 n PHE 22 Cb 0.40 -0.10 0.17 0.00 -0.01 0.00 0.00 39.48 39.94 3i55 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i55 n GLU 23 N -1.10 2.53 -2.22 -1.08 1.02 0.99 -4.73 120.64 116.05 3i55 n GLU 23 Ca 0.01 -2.06 -0.40 0.00 -0.02 0.00 0.00 57.16 54.69 3i55 n GLU 23 Cb 0.01 -1.33 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3i55 n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i55 s THR 24 N -1.03 2.94 0.07 2.62 2.01 0.36 -4.94 115.64 117.68 3i55 s THR 24 Ca 0.27 0.95 -0.31 0.00 0.31 0.00 0.00 61.69 62.91 3i55 s THR 24 Cb 0.15 -3.60 -0.07 0.00 0.01 0.00 0.00 72.50 68.99 3i55 s THR 24 CO 0.20 0.22 1.39 -2.16 -0.69 0.00 0.00 174.62 173.58 3i55 s PRO 25 N -1.72 4.31 0.19 4.92 0.04 -1.26 -4.69 135.00 136.79 3i55 s PRO 25 Ca 0.48 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 63.22 3i55 s PRO 25 Cb -0.37 -3.38 -0.14 0.00 0.04 0.00 0.00 34.50 30.64 3i55 s PRO 25 CO 0.49 -0.48 1.40 0.28 0.04 0.00 0.00 177.00 178.73 3i55 n VAL 26 N 4.23 0.58 -3.20 -0.36 0.31 -1.26 -4.77 118.33 113.85 3i55 n VAL 26 Ca 0.12 -0.15 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 3i55 n VAL 26 Cb 0.43 -1.31 -0.06 0.00 -0.91 0.00 0.00 33.84 31.99 3i55 n VAL 26 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i55 n ARG 27 N 2.40 1.16 -0.31 5.55 3.00 -1.26 -4.98 116.66 122.21 3i55 n ARG 27 Ca 0.14 -3.55 0.12 0.00 -0.00 0.00 0.00 57.85 54.57 3i55 n ARG 27 Cb 0.28 -1.54 0.26 0.00 0.00 0.00 0.00 32.46 31.46 3i55 n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i55 h SER 28 N 3.69 -0.37 -0.16 6.15 4.64 -1.96 0.13 113.55 125.68 3i55 h SER 28 Ca 0.10 0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.71 3i55 h SER 28 Cb 0.85 0.42 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 3i55 h SER 28 CO 0.54 -0.28 -0.21 -2.24 -0.87 0.00 0.00 176.83 173.77 3i55 h ASP 29 N 0.06 -0.65 -0.71 4.97 2.03 -1.95 0.50 116.42 120.67 3i55 h ASP 29 Ca 0.55 0.11 -0.03 0.00 -0.73 0.00 0.00 57.03 56.93 3i55 h ASP 29 Cb 1.09 0.30 -0.03 0.00 -0.83 0.00 0.00 39.33 39.86 3i55 h ASP 29 CO -0.82 -0.26 0.32 -0.07 -1.03 0.00 0.00 179.24 177.39 3i55 h LEU 30 N -0.25 0.95 0.03 0.15 3.38 -1.26 -2.12 115.31 116.18 3i55 h LEU 30 Ca 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i55 h LEU 30 Cb 0.41 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i55 h LEU 30 CO -0.30 0.83 -0.03 0.40 0.09 0.00 0.00 178.44 179.43 3i55 h ILE 31 N 1.00 0.94 -0.36 1.22 2.04 -0.08 -2.34 117.51 119.93 3i55 h ILE 31 Ca 0.24 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.17 3i55 h ILE 31 Cb 0.15 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3i55 h ILE 31 CO -0.03 0.00 0.25 1.23 0.00 0.00 0.00 178.15 179.60 3i55 h GLY 32 N -0.06 0.26 0.90 5.37 0.00 0.21 -1.42 103.07 108.33 3i55 h GLY 32 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3i55 h GLY 32 CO -0.01 0.06 -0.03 1.70 0.00 0.00 0.00 176.54 178.27 3i55 h LYS 33 N 0.21 0.59 0.00 4.80 3.64 -0.88 0.39 116.57 125.32 3i55 h LYS 33 Ca 0.16 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3i55 h LYS 33 Cb 0.37 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3i55 h LYS 33 CO -0.03 0.74 -0.12 0.00 -2.27 0.00 0.00 179.45 177.77 3i55 h ALA 34 N 0.83 1.62 0.19 5.00 0.00 -0.80 -1.24 119.26 124.86 3i55 h ALA 34 Ca 0.09 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 3i55 h ALA 34 Cb 0.49 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i55 h ALA 34 CO 0.02 0.15 -1.67 0.28 0.00 0.00 0.00 179.25 178.03 3i55 h VAL 35 N 0.00 1.03 0.00 0.00 2.07 -1.11 -2.64 116.25 115.60 3i55 h VAL 35 Ca -0.00 -2.59 -0.03 0.00 0.82 0.00 0.00 66.70 64.89 3i55 h VAL 35 Cb 0.25 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3i55 h VAL 35 CO 0.02 0.84 -0.16 0.03 0.02 0.00 0.00 177.57 178.32 3i55 h ARG 36 N 0.11 0.00 -0.05 1.57 3.08 -0.64 -0.22 114.38 118.23 3i55 h ARG 36 Ca -0.31 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 3i55 h ARG 36 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.15 3i55 h ARG 36 CO 0.19 0.16 -0.21 0.00 -1.07 0.00 0.00 179.97 179.05 3i55 h ALA 37 N 1.84 0.10 -0.59 0.04 0.00 -1.26 -2.74 119.26 116.65 3i55 h ALA 37 Ca -0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3i55 h ALA 37 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3i55 h ALA 37 CO 0.02 0.07 0.08 0.00 0.00 0.00 0.00 179.25 179.42 3i55 h ALA 38 N 0.41 0.79 0.00 0.00 0.00 -1.07 -1.60 119.26 117.79 3i55 h ALA 38 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3i55 h ALA 38 Cb 0.85 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i55 h ALA 38 CO 0.04 0.55 -0.10 1.96 0.00 0.00 0.00 179.25 181.71 3i55 h GLN 39 N 0.89 0.00 0.07 0.00 4.20 -1.11 -3.14 115.11 116.02 3i55 h GLN 39 Ca 0.18 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.53 3i55 h GLN 39 Cb 0.44 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 3i55 h GLN 39 CO 0.01 0.10 -2.09 0.00 -0.67 0.00 0.00 178.83 176.18 3i55 n ALA 40 N -2.22 1.14 0.30 3.87 0.00 -1.03 -4.19 120.51 118.38 3i55 n ALA 40 Ca -0.01 -0.78 0.03 0.00 0.00 0.00 0.00 53.44 52.68 3i55 n ALA 40 Cb 0.25 -0.54 0.17 0.00 0.00 0.00 0.00 19.45 19.32 3i55 n ALA 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i55 n ASN 41 N -3.32 0.00 -0.77 0.00 3.02 -0.63 -1.45 115.26 112.11 3i55 n ASN 41 Ca -0.33 0.31 0.07 0.00 -0.03 0.00 0.00 54.58 54.60 3i55 n ASN 41 Cb 1.04 -0.37 0.18 0.00 -0.61 0.00 0.00 39.78 40.02 3i55 n ASN 41 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3i55 n ARG 42 N -1.37 2.65 -2.94 3.52 1.85 -1.23 -4.97 116.66 114.16 3i55 n ARG 42 Ca 0.03 -2.10 -0.40 0.00 -1.00 0.00 0.00 57.85 54.38 3i55 n ARG 42 Cb 0.07 -1.33 -0.06 0.00 -1.05 0.00 0.00 32.46 30.09 3i55 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3i55 s LYS 43 N -1.02 4.61 0.25 2.89 3.01 -0.53 -5.05 119.74 123.91 3i55 s LYS 43 Ca 0.28 1.21 -0.13 0.00 -1.01 0.00 0.00 55.97 56.31 3i55 s LYS 43 Cb 0.15 -3.27 -0.08 0.00 -1.01 0.00 0.00 37.83 33.62 3i55 s LYS 43 CO 0.19 0.55 0.63 -0.65 0.51 0.00 0.00 175.35 176.59 3i55 s GLN 44 N -1.09 3.94 0.64 1.68 -0.21 -1.26 -4.99 119.66 118.37 3i55 s GLN 44 Ca 0.37 0.51 -0.16 0.00 0.02 0.00 0.00 55.36 56.10 3i55 s GLN 44 Cb -0.23 -2.63 -0.01 0.00 1.00 0.00 0.00 33.01 31.14 3i55 s GLN 44 CO 0.27 0.29 1.11 -0.51 -2.12 0.00 0.00 175.29 174.33 3i55 s ASP 45 N -2.17 5.22 0.00 5.90 -0.00 -1.26 -5.04 116.67 119.32 3i55 s ASP 45 Ca 0.48 2.04 0.00 0.00 -0.00 0.00 0.00 52.55 55.07 3i55 s ASP 45 Cb -0.12 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.24 3i55 s ASP 45 CO 0.19 -1.55 0.00 0.00 -0.00 0.00 0.00 175.17 173.81 3i55 n TYR 46 N -2.20 -0.34 0.00 4.23 -0.00 -1.26 -5.06 117.16 112.53 3i55 n TYR 46 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 3i55 n TYR 46 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 3i55 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3i55 n GLY 47 N 0.00 4.55 3.67 -7.48 0.00 -1.26 -1.73 105.19 102.95 3i55 n GLY 47 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 3i55 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i55 s SER 48 N 0.00 2.70 0.23 1.61 1.04 -1.16 -4.85 113.70 113.27 3i55 s SER 48 Ca 0.00 1.32 -0.32 0.00 0.48 0.00 0.00 55.95 57.44 3i55 s SER 48 Cb 0.00 -2.00 -0.12 0.00 0.10 0.00 0.00 66.02 64.00 3i55 s SER 48 CO 0.00 -3.10 1.70 -0.62 0.98 0.00 0.00 173.24 172.20 3i55 s ASP 49 N -3.34 6.37 0.04 7.02 -1.08 -1.26 -4.84 116.67 119.58 3i55 s ASP 49 Ca 0.65 2.90 0.10 0.00 -0.52 0.00 0.00 52.55 55.68 3i55 s ASP 49 Cb -0.19 -2.61 0.44 0.00 -1.46 0.00 0.00 42.92 39.10 3i55 s ASP 49 CO 0.58 -0.97 1.31 -0.62 0.52 0.00 0.00 175.17 175.99 3i55 n GLU 50 N 3.62 0.03 0.00 4.34 1.02 -1.26 -2.15 120.64 126.23 3i55 n GLU 50 Ca 0.14 0.39 0.04 0.00 -0.02 0.00 0.00 57.16 57.71 3i55 n GLU 50 Cb 0.35 -1.56 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 3i55 n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i55 n TYR 51 N -1.61 0.00 -1.56 -0.32 4.02 -1.26 -4.96 117.16 111.46 3i55 n TYR 51 Ca 0.02 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.39 3i55 n TYR 51 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 3i55 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i55 n ALA 52 N 0.06 -1.44 -0.76 -0.72 0.00 -0.91 -0.13 120.51 116.61 3i55 n ALA 52 Ca 0.04 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3i55 n ALA 52 Cb 0.17 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3i55 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 53 N 2.08 0.41 0.26 0.00 0.00 -1.26 -4.11 105.19 102.56 3i55 n GLY 53 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3i55 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i55 n LEU 54 N 0.00 1.38 -3.89 0.99 4.77 0.82 -3.42 117.00 117.65 3i55 n LEU 54 Ca 0.00 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.88 3i55 n LEU 54 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i55 n LEU 54 CO 0.00 0.28 2.42 0.54 -1.33 0.00 0.00 177.39 179.29 3i55 n ARG 55 N -0.51 3.06 -3.51 3.23 1.74 -1.22 -4.83 116.66 114.61 3i55 n ARG 55 Ca 0.06 -2.91 -0.08 0.00 -0.77 0.00 0.00 57.85 54.15 3i55 n ARG 55 Cb 0.32 -3.24 -0.02 0.00 -1.02 0.00 0.00 32.46 28.50 3i55 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i55 s THR 56 N 2.73 0.00 -0.73 0.55 -1.32 -1.26 -5.03 115.64 110.58 3i55 s THR 56 Ca 0.46 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.10 3i55 s THR 56 Cb 0.11 -1.00 0.62 0.00 -1.51 0.00 0.00 72.50 70.72 3i55 s THR 56 CO -0.05 0.00 1.53 -0.81 -2.21 0.00 0.00 174.62 173.09 3i55 n PRO 57 N -0.18 3.56 -1.40 7.08 -0.04 -1.26 -5.02 135.00 137.74 3i55 n PRO 57 Ca -0.08 -2.78 -0.53 0.00 -0.04 0.00 0.00 63.50 60.07 3i55 n PRO 57 Cb 0.61 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 3i55 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i55 n ALA 58 N 0.53 -3.25 -2.80 0.55 0.00 -1.26 -4.97 120.51 109.31 3i55 n ALA 58 Ca 0.23 0.52 -0.15 0.00 0.00 0.00 0.00 53.44 54.03 3i55 n ALA 58 Cb 0.86 -1.63 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 3i55 n ALA 58 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i55 s GLU 59 N -0.38 0.63 0.05 0.00 2.12 -0.91 -4.74 118.70 115.47 3i55 s GLU 59 Ca 0.77 -0.81 -0.15 0.00 0.36 0.00 0.00 54.97 55.15 3i55 s GLU 59 Cb -1.09 -0.49 -0.06 0.00 0.26 0.00 0.00 34.13 32.75 3i55 s GLU 59 CO 0.54 0.10 0.46 0.45 -0.54 0.00 0.00 175.26 176.27 3i55 s SER 60 N -1.58 6.84 0.00 -1.70 0.15 -1.26 -1.43 113.70 114.72 3i55 s SER 60 Ca -0.07 1.02 0.29 0.00 0.70 0.00 0.00 55.95 57.89 3i55 s SER 60 Cb -0.10 -2.27 1.73 0.00 -1.71 0.00 0.00 66.02 63.68 3i55 s SER 60 CO 0.01 0.26 2.11 0.49 1.20 0.00 0.00 173.24 177.32 3i55 n PHE 61 N 1.52 0.00 -4.83 3.44 0.99 -1.26 -4.98 117.46 112.33 3i55 n PHE 61 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 3i55 n PHE 61 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.00 3i55 n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i55 n GLY 62 N 0.95 0.68 3.83 1.37 0.00 -1.26 -4.69 105.19 106.06 3i55 n GLY 62 Ca 0.22 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3i55 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i55 s SER 63 N -4.00 6.95 0.00 1.61 0.01 -1.26 -4.66 113.70 112.35 3i55 s SER 63 Ca 0.00 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.71 3i55 s SER 63 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3i55 s SER 63 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12 3i55 n GLY 64 N 0.04 2.39 1.84 3.44 0.00 -1.26 -4.98 105.19 106.66 3i55 n GLY 64 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3i55 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i55 n ARG 65 N 0.00 4.02 -3.36 1.61 1.85 -1.26 -4.94 116.66 114.58 3i55 n ARG 65 Ca 0.00 -3.11 -0.19 0.00 -1.00 0.00 0.00 57.85 53.55 3i55 n ARG 65 Cb 0.00 -2.19 0.06 0.00 -1.05 0.00 0.00 32.46 29.28 3i55 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i55 n GLY 66 N 0.05 -0.25 3.11 2.89 0.00 -1.26 -5.02 105.19 104.70 3i55 n GLY 66 Ca 0.34 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 3i55 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i55 s GLN 67 N -6.04 0.65 0.45 1.61 -0.21 -1.26 -5.13 119.66 109.74 3i55 s GLN 67 Ca 0.46 -1.03 -0.25 0.00 0.02 0.00 0.00 55.36 54.57 3i55 s GLN 67 Cb -0.20 -0.20 -0.08 0.00 1.00 0.00 0.00 33.01 33.53 3i55 s GLN 67 CO 0.57 0.01 1.35 0.00 -2.12 0.00 0.00 175.29 175.10 3i55 s ALA 68 N -2.52 3.15 -1.21 6.09 0.00 -1.26 -4.83 121.76 121.18 3i55 s ALA 68 Ca 0.00 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.07 3i55 s ALA 68 Cb -0.02 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 3i55 s ALA 68 CO -0.03 -1.06 1.90 0.72 0.00 0.00 0.00 175.76 177.29 3i55 n HIS 69 N -0.26 3.06 -5.11 0.00 -0.00 -1.26 -4.86 115.22 106.79 3i55 n HIS 69 Ca 0.06 -1.71 -0.32 0.00 -0.00 0.00 0.00 57.72 55.75 3i55 n HIS 69 Cb 0.43 -2.62 -0.16 0.00 -0.00 0.00 0.00 29.99 27.65 3i55 n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3i55 s VAL 70 N 9.80 2.36 0.04 1.59 1.01 -1.26 -4.99 120.40 128.94 3i55 s VAL 70 Ca 0.66 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3i55 s VAL 70 Cb 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 3i55 s VAL 70 CO 0.13 0.56 1.74 -2.84 0.00 0.00 0.00 175.10 174.68 3i55 s PRO 71 N 0.08 4.18 0.34 2.72 0.02 -1.26 -4.40 135.00 136.66 3i55 s PRO 71 Ca -0.09 2.38 0.10 0.00 0.02 0.00 0.00 61.00 63.40 3i55 s PRO 71 Cb -0.15 -3.81 -0.06 0.00 0.02 0.00 0.00 34.50 30.50 3i55 s PRO 71 CO 0.06 -0.82 -0.07 0.15 -0.33 0.00 0.00 177.00 175.98 3i55 s LYS 72 N 3.36 1.88 -0.22 5.54 1.02 -0.51 -0.53 119.74 130.28 3i55 s LYS 72 Ca 0.77 -1.88 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 3i55 s LYS 72 Cb -0.39 -1.77 0.12 0.00 -0.52 0.00 0.00 37.83 35.27 3i55 s LYS 72 CO 0.34 0.15 0.36 -1.14 -0.92 0.00 0.00 175.35 174.14 3i55 s GLN 73 N -3.63 0.31 -1.83 1.68 2.00 0.18 -2.14 119.66 116.22 3i55 s GLN 73 Ca 0.33 0.59 0.00 0.00 -2.00 0.00 0.00 55.36 54.27 3i55 s GLN 73 Cb 0.01 -0.41 0.00 0.00 0.80 0.00 0.00 33.01 33.41 3i55 s GLN 73 CO 0.17 -0.56 0.00 -0.25 -0.50 0.00 0.00 175.29 174.15 3i55 n ASP 74 N 5.36 -5.54 0.00 6.67 8.00 -1.26 -1.58 116.55 128.21 3i55 n ASP 74 Ca -0.05 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3i55 n ASP 74 Cb 0.50 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.89 3i55 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i55 n GLY 75 N -0.79 3.32 3.80 0.44 0.00 -1.26 -5.04 105.19 105.66 3i55 n GLY 75 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3i55 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i55 s ARG 76 N -0.66 4.24 0.68 1.61 1.81 -0.61 -5.05 118.95 120.97 3i55 s ARG 76 Ca 0.00 0.75 -0.11 0.00 -1.72 0.00 0.00 55.73 54.64 3i55 s ARG 76 Cb 0.00 -3.26 -0.00 0.00 -0.45 0.00 0.00 34.95 31.24 3i55 s ARG 76 CO 0.00 0.57 1.06 0.00 -0.68 0.00 0.00 175.30 176.26 3i55 s ALA 77 N -0.89 2.85 0.19 2.13 0.00 -1.26 0.51 121.76 125.29 3i55 s ALA 77 Ca 0.30 -0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.87 3i55 s ALA 77 Cb -0.19 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 19.89 3i55 s ALA 77 CO 0.19 -1.06 0.84 1.03 0.00 0.00 0.00 175.76 176.76 3i55 s ARG 78 N -5.21 1.40 0.00 0.00 0.52 0.31 -4.79 118.95 111.18 3i55 s ARG 78 Ca 0.57 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 3i55 s ARG 78 Cb -0.12 0.49 0.00 0.00 0.52 0.00 0.00 34.95 35.84 3i55 s ARG 78 CO 0.54 -0.64 0.00 -2.13 0.02 0.00 0.00 175.30 173.09 3i55 n ARG 79 N -0.45 0.00 -1.56 3.54 0.63 -1.22 -4.52 116.66 113.08 3i55 n ARG 79 Ca -0.06 0.00 -0.53 0.00 -0.92 0.00 0.00 57.85 56.34 3i55 n ARG 79 Cb 0.60 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.46 3i55 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3i55 n VAL 80 N 0.00 0.28 -0.36 5.15 0.24 -1.26 0.17 118.33 122.55 3i55 n VAL 80 Ca 0.00 -0.07 0.34 0.00 -2.04 0.00 0.00 64.34 62.57 3i55 n VAL 80 Cb 0.00 -0.63 0.61 0.00 -1.47 0.00 0.00 33.84 32.35 3i55 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i55 h PRO 81 N 3.83 0.02 -0.00 7.34 0.11 -1.87 0.23 132.00 141.67 3i55 h PRO 81 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i55 h PRO 81 Cb 1.36 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3i55 h PRO 81 CO 0.73 0.01 -0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3i55 n GLN 82 N -5.10 0.99 -4.21 1.05 0.00 -1.26 -4.80 117.38 104.05 3i55 n GLN 82 Ca 0.38 -0.08 -0.35 0.00 0.00 0.00 0.00 57.00 56.95 3i55 n GLN 82 Cb 1.35 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.99 3i55 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i55 s ALA 83 N -2.07 3.35 0.29 2.61 0.00 0.82 -5.05 121.76 121.71 3i55 s ALA 83 Ca 0.45 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 3i55 s ALA 83 Cb 0.22 -1.68 -0.13 0.00 0.00 0.00 0.00 23.12 21.52 3i55 s ALA 83 CO 0.38 0.41 1.26 0.28 0.00 0.00 0.00 175.76 178.09 3i55 n VAL 84 N 2.75 1.63 -1.27 0.00 0.31 -1.26 -0.04 118.33 120.45 3i55 n VAL 84 Ca -0.18 -0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 63.65 3i55 n VAL 84 Cb 0.53 -1.38 -0.04 0.00 -0.91 0.00 0.00 33.84 32.04 3i55 n VAL 84 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i55 n LYS 85 N 1.09 -0.67 -3.60 5.55 4.76 -1.26 -4.72 118.16 119.30 3i55 n LYS 85 Ca 0.08 0.83 -0.26 0.00 -2.87 0.00 0.00 58.31 56.09 3i55 n LYS 85 Cb 0.33 -4.73 -0.02 0.00 -1.84 0.00 0.00 35.03 28.77 3i55 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i55 s GLY 86 N -2.88 1.58 0.98 0.72 0.00 0.94 -4.24 107.32 104.42 3i55 s GLY 86 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 44.72 43.70 3i55 s GLY 86 CO 0.00 -0.84 0.29 -0.96 0.00 0.00 0.00 173.10 171.60 3i55 n ARG 87 N -1.13 -0.50 -3.37 2.90 1.85 0.46 -4.75 116.66 112.13 3i55 n ARG 87 Ca -0.05 -0.11 -0.39 0.00 -1.00 0.00 0.00 57.85 56.30 3i55 n ARG 87 Cb 0.55 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 30.08 3i55 n ARG 87 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3i55 s SER 88 N -1.95 6.33 0.00 2.89 0.15 -1.26 -3.94 113.70 115.92 3i55 s SER 88 Ca 0.56 0.38 -0.01 0.00 0.70 0.00 0.00 55.95 57.58 3i55 s SER 88 Cb -0.19 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3i55 s SER 88 CO 0.68 -0.17 1.01 0.00 1.20 0.00 0.00 173.24 175.96 3i55 h ALA 89 N 7.94 -0.35 -3.22 5.45 0.00 -1.91 -3.35 119.26 123.82 3i55 h ALA 89 Ca -0.32 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.96 3i55 h ALA 89 Cb 1.16 0.67 -0.40 0.00 0.00 0.00 0.00 17.79 19.22 3i55 h ALA 89 CO 0.67 -0.35 -0.69 -1.01 0.00 0.00 0.00 179.25 177.87 3i55 s HIS 90 N -3.06 2.62 0.53 0.00 3.76 -1.26 -5.11 115.29 112.77 3i55 s HIS 90 Ca -0.00 -2.76 0.07 0.00 -0.15 0.00 0.00 55.06 52.21 3i55 s HIS 90 Cb 0.00 -2.36 0.06 0.00 1.11 0.00 0.00 32.58 31.38 3i55 s HIS 90 CO 0.01 -0.78 0.73 -1.25 -0.85 0.00 0.00 174.74 172.60 3i55 s PRO 91 N 0.17 2.46 0.20 8.40 0.04 -1.26 -5.03 135.00 139.98 3i55 s PRO 91 Ca 0.16 -1.31 -0.32 0.00 0.04 0.00 0.00 61.00 59.58 3i55 s PRO 91 Cb -0.24 -2.63 -0.11 0.00 0.04 0.00 0.00 34.50 31.55 3i55 s PRO 91 CO -0.01 -0.69 1.67 -2.14 0.04 0.00 0.00 177.00 175.86 3i55 s PRO 92 N -4.62 4.15 0.08 0.56 0.02 -1.26 -4.95 135.00 128.98 3i55 s PRO 92 Ca 0.59 2.53 0.06 0.00 0.02 0.00 0.00 61.00 64.20 3i55 s PRO 92 Cb -0.08 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3i55 s PRO 92 CO 0.37 -0.70 -0.08 0.15 -0.33 0.00 0.00 177.00 176.41 3i55 s LYS 93 N 1.02 2.29 -0.00 5.54 1.02 -1.26 -2.96 119.74 125.38 3i55 s LYS 93 Ca 0.72 -0.93 -0.22 0.00 0.02 0.00 0.00 55.97 55.57 3i55 s LYS 93 Cb -0.48 -2.38 -0.20 0.00 -0.52 0.00 0.00 37.83 34.25 3i55 s LYS 93 CO 0.33 0.53 1.17 1.15 -0.92 0.00 0.00 175.35 177.61 3i55 h THR 94 N 3.32 1.44 -0.54 2.17 2.02 -1.66 -3.22 112.91 116.45 3i55 h THR 94 Ca -0.48 -1.74 0.16 0.00 0.77 0.00 0.00 66.41 65.11 3i55 h THR 94 Cb 1.17 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 3i55 h THR 94 CO 0.54 0.50 0.91 -0.33 0.37 0.00 0.00 175.52 177.50 3i55 h GLU 95 N -0.21 0.00 -6.90 6.66 3.07 -1.96 -3.42 114.58 111.83 3i55 h GLU 95 Ca -0.02 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.32 3i55 h GLU 95 Cb 0.96 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.94 3i55 h GLU 95 CO 0.06 0.00 0.63 0.21 -1.40 0.00 0.00 179.01 178.52 3i55 s LYS 96 N -4.32 4.26 -0.30 2.33 2.20 -1.21 -4.99 119.74 117.70 3i55 s LYS 96 Ca -0.02 2.20 -0.18 0.00 -0.36 0.00 0.00 55.97 57.61 3i55 s LYS 96 Cb 0.10 -2.99 -0.02 0.00 -1.51 0.00 0.00 37.83 33.41 3i55 s LYS 96 CO 0.34 -0.26 0.50 0.34 -0.36 0.00 0.00 175.35 175.91 3i55 s ASP 97 N -0.55 6.36 -0.24 1.43 3.68 -1.26 -4.95 116.67 121.14 3i55 s ASP 97 Ca 0.51 0.25 0.14 0.00 2.13 0.00 0.00 52.55 55.57 3i55 s ASP 97 Cb -0.39 -2.27 0.65 0.00 -1.45 0.00 0.00 42.92 39.46 3i55 s ASP 97 CO 0.52 -0.36 1.60 0.54 0.13 0.00 0.00 175.17 177.59 3i55 n ARG 98 N 5.61 3.49 -3.98 4.34 1.74 -1.26 -4.99 116.66 121.60 3i55 n ARG 98 Ca -0.05 -3.01 -0.27 0.00 -0.77 0.00 0.00 57.85 53.74 3i55 n ARG 98 Cb 0.49 -2.03 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 3i55 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i55 s SER 99 N -1.52 6.08 -0.09 0.55 1.04 -1.26 -4.58 113.70 113.93 3i55 s SER 99 Ca 0.48 0.10 0.04 0.00 0.48 0.00 0.00 55.95 57.06 3i55 s SER 99 Cb 0.39 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.74 3i55 s SER 99 CO 0.11 0.09 -0.22 -0.76 0.98 0.00 0.00 173.24 173.43 3i55 s LEU 100 N -3.01 2.02 0.34 2.42 1.43 -1.26 -5.04 118.68 115.59 3i55 s LEU 100 Ca 0.33 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 3i55 s LEU 100 Cb -0.11 -1.30 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 3i55 s LEU 100 CO 0.27 0.15 0.69 -1.81 0.23 0.00 0.00 176.35 175.88 3i55 s ASP 101 N 0.33 6.57 -0.27 2.29 1.11 -1.26 -4.94 116.67 120.50 3i55 s ASP 101 Ca -0.16 1.05 -0.01 0.00 0.18 0.00 0.00 52.55 53.61 3i55 s ASP 101 Cb -0.17 -2.28 0.15 0.00 1.07 0.00 0.00 42.92 41.69 3i55 s ASP 101 CO 0.07 -0.28 0.42 -0.22 1.18 0.00 0.00 175.17 176.34 3i55 s LEU 102 N -3.50 -0.81 0.04 1.23 2.96 -1.26 -5.09 118.68 112.26 3i55 s LEU 102 Ca 0.50 0.11 -0.38 0.00 -0.22 0.00 0.00 54.13 54.14 3i55 s LEU 102 Cb -0.10 1.27 -0.19 0.00 0.50 0.00 0.00 46.19 47.66 3i55 s LEU 102 CO 0.27 -0.31 0.97 0.59 -1.32 0.00 0.00 176.35 176.55 3i55 n ASN 103 N 5.37 -0.21 -0.10 3.68 4.13 -1.26 -4.64 115.26 122.23 3i55 n ASN 103 Ca -0.02 1.15 -0.07 0.00 1.68 0.00 0.00 54.58 57.33 3i55 n ASN 103 Cb 0.50 -0.93 -0.01 0.00 -1.54 0.00 0.00 39.78 37.80 3i55 n ASN 103 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3i55 h ASP 104 N 2.64 -0.90 -0.21 6.41 3.32 -2.00 -0.32 116.42 125.36 3i55 h ASP 104 Ca -0.46 0.17 0.06 0.00 0.02 0.00 0.00 57.03 56.81 3i55 h ASP 104 Cb 1.43 0.44 -0.07 0.00 0.22 0.00 0.00 39.33 41.35 3i55 h ASP 104 CO 0.64 -0.29 -0.30 0.11 -1.72 0.00 0.00 179.24 177.67 3i55 h LYS 105 N -0.22 -0.32 -0.79 3.56 1.57 -1.99 0.11 116.57 118.48 3i55 h LYS 105 Ca 0.17 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.12 3i55 h LYS 105 Cb 0.50 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.79 3i55 h LYS 105 CO -0.49 -0.21 0.36 1.49 -0.57 0.00 0.00 179.45 180.02 3i55 h GLU 106 N -0.33 0.50 0.54 3.15 4.81 -1.71 0.10 114.58 121.63 3i55 h GLU 106 Ca 0.12 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3i55 h GLU 106 Cb 0.52 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.80 3i55 h GLU 106 CO -0.39 0.33 -0.26 -0.09 -0.73 0.00 0.00 179.01 177.87 3i55 h ARG 107 N 0.51 -0.69 -0.92 1.92 2.43 0.16 -2.91 114.38 114.88 3i55 h ARG 107 Ca 0.43 0.05 0.24 0.00 -0.81 0.00 0.00 59.98 59.89 3i55 h ARG 107 Cb 0.63 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.21 3i55 h ARG 107 CO -0.38 -0.40 0.43 1.96 -1.51 0.00 0.00 179.97 180.06 3i55 h GLN 108 N -1.07 0.38 -0.63 0.20 4.20 -0.43 0.47 115.11 118.24 3i55 h GLN 108 Ca -0.07 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.68 3i55 h GLN 108 Cb 0.62 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 3i55 h GLN 108 CO 0.12 0.25 0.32 1.25 -0.67 0.00 0.00 178.83 180.10 3i55 h LEU 109 N 0.39 0.43 -0.91 1.46 5.85 -0.77 -1.14 115.31 120.63 3i55 h LEU 109 Ca 0.59 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 59.26 3i55 h LEU 109 Cb 1.16 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3i55 h LEU 109 CO -0.55 0.28 -0.25 0.00 -0.34 0.00 0.00 178.44 177.58 3i55 h ALA 110 N 1.36 1.08 -0.74 1.25 0.00 0.08 -1.13 119.26 121.15 3i55 h ALA 110 Ca 0.29 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i55 h ALA 110 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3i55 h ALA 110 CO -0.21 0.57 0.48 0.28 0.00 0.00 0.00 179.25 180.37 3i55 h VAL 111 N 0.45 1.17 0.24 0.00 2.07 -0.00 0.16 116.25 120.34 3i55 h VAL 111 Ca 0.06 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3i55 h VAL 111 Cb 0.68 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3i55 h VAL 111 CO 0.05 0.18 -0.12 0.03 0.02 0.00 0.00 177.57 177.73 3i55 h ARG 112 N 0.98 -0.31 -0.95 1.57 3.08 -1.05 -1.59 114.38 116.11 3i55 h ARG 112 Ca 0.28 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.48 3i55 h ARG 112 Cb -0.08 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 3i55 h ARG 112 CO -0.07 0.05 0.60 1.03 -1.07 0.00 0.00 179.97 180.51 3i55 h SER 113 N -0.79 0.80 -0.07 7.04 0.87 -1.03 0.63 113.55 121.00 3i55 h SER 113 Ca -0.03 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3i55 h SER 113 Cb 0.51 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3i55 h SER 113 CO 0.05 0.41 0.02 0.00 -0.53 0.00 0.00 176.83 176.78 3i55 h ALA 114 N 1.57 0.09 -0.62 6.23 0.00 -0.66 0.10 119.26 125.97 3i55 h ALA 114 Ca 0.48 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.38 3i55 h ALA 114 Cb 0.61 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3i55 h ALA 114 CO -0.24 -0.31 0.22 1.25 0.00 0.00 0.00 179.25 180.17 3i55 h LEU 115 N -0.07 0.19 -0.21 0.00 5.85 0.11 -1.75 115.31 119.42 3i55 h LEU 115 Ca 0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3i55 h LEU 115 Cb 0.20 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3i55 h LEU 115 CO -0.00 0.11 0.08 0.00 -0.34 0.00 0.00 178.44 178.29 3i55 h ALA 116 N 1.44 0.27 0.00 1.25 0.00 0.54 -2.30 119.26 120.46 3i55 h ALA 116 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i55 h ALA 116 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i55 h ALA 116 CO -0.34 -0.13 0.31 0.00 0.00 0.00 0.00 179.25 179.10 3i55 n ALA 117 N -2.24 0.56 0.08 0.00 0.00 0.32 -0.48 120.51 118.75 3i55 n ALA 117 Ca -0.04 0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 3i55 n ALA 117 Cb 0.13 -0.67 0.13 0.00 0.00 0.00 0.00 19.45 19.04 3i55 n ALA 117 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i55 h THR 118 N 0.00 1.38 0.00 0.00 2.02 -1.33 -3.24 112.91 111.74 3i55 h THR 118 Ca 0.00 -1.93 -0.06 0.00 0.77 0.00 0.00 66.41 65.19 3i55 h THR 118 Cb 0.63 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3i55 h THR 118 CO 0.00 0.57 -0.27 0.00 0.37 0.00 0.00 175.52 176.19 3i55 h ALA 119 N 1.21 0.92 -1.20 6.16 0.00 -0.95 -3.29 119.26 122.12 3i55 h ALA 119 Ca -0.00 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 3i55 h ALA 119 Cb 1.08 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3i55 h ALA 119 CO 0.09 0.34 1.34 0.34 0.00 0.00 0.00 179.25 181.36 3i55 s ASP 120 N -6.25 6.36 0.34 0.00 -1.08 -1.22 -4.59 116.67 110.23 3i55 s ASP 120 Ca 0.02 -1.08 0.13 0.00 -0.52 0.00 0.00 52.55 51.10 3i55 s ASP 120 Cb 0.09 -2.57 0.69 0.00 -1.46 0.00 0.00 42.92 39.67 3i55 s ASP 120 CO 0.67 -1.64 1.28 0.00 0.52 0.00 0.00 175.17 175.99 3i55 h ALA 121 N 9.92 1.23 0.12 3.66 0.00 -1.84 -1.61 119.26 130.73 3i55 h ALA 121 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 3i55 h ALA 121 Cb 1.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3i55 h ALA 121 CO 1.37 -0.23 -1.68 -0.44 0.00 0.00 0.00 179.25 178.28 3i55 h ASP 122 N 0.00 0.39 0.20 0.00 3.32 -1.94 -3.15 116.42 115.23 3i55 h ASP 122 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 57.03 56.20 3i55 h ASP 122 Cb 0.68 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3i55 h ASP 122 CO 0.00 1.73 -0.36 -0.07 -1.72 0.00 0.00 179.24 178.81 3i55 h LEU 123 N -0.18 -1.03 -0.90 1.55 3.38 -1.62 0.10 115.31 116.62 3i55 h LEU 123 Ca -0.36 0.11 0.16 0.00 0.09 0.00 0.00 57.88 57.88 3i55 h LEU 123 Cb 1.87 0.38 -0.16 0.00 0.09 0.00 0.00 40.66 42.83 3i55 h LEU 123 CO 0.06 -0.46 -0.30 0.58 0.09 0.00 0.00 178.44 178.41 3i55 h VAL 124 N -0.64 0.07 -0.03 1.22 2.07 -1.66 2.31 116.25 119.59 3i55 h VAL 124 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3i55 h VAL 124 Cb 0.64 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3i55 h VAL 124 CO -0.16 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.26 3i55 h ALA 125 N 1.61 1.67 0.11 1.67 0.00 -1.28 -2.73 119.26 120.31 3i55 h ALA 125 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3i55 h ALA 125 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i55 h ALA 125 CO -0.92 0.24 -0.05 -0.44 0.00 0.00 0.00 179.25 178.08 3i55 h ASP 126 N 0.04 -0.13 -1.29 0.00 5.19 0.58 -3.04 116.42 117.78 3i55 h ASP 126 Ca 0.01 -0.42 0.38 0.00 -0.62 0.00 0.00 57.03 56.38 3i55 h ASP 126 Cb 0.32 0.03 -0.09 0.00 0.18 0.00 0.00 39.33 39.77 3i55 h ASP 126 CO 0.02 0.41 0.88 -0.09 -3.12 0.00 0.00 179.24 177.34 3i55 h ARG 127 N -0.72 0.13 0.00 3.56 2.43 0.15 -3.44 114.38 116.49 3i55 h ARG 127 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i55 h ARG 127 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3i55 h ARG 127 CO 0.03 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 3i55 n GLY 128 N -1.63 1.29 3.61 2.80 0.00 -1.06 -5.10 105.19 105.11 3i55 n GLY 128 Ca 0.32 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.81 3i55 n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i55 n HIS 129 N 0.00 1.59 -3.19 1.61 8.25 -1.19 -4.92 115.22 117.37 3i55 n HIS 129 Ca 0.00 0.63 -0.44 0.00 -0.26 0.00 0.00 57.72 57.65 3i55 n HIS 129 Cb 0.00 -2.35 -0.07 0.00 1.12 0.00 0.00 29.99 28.69 3i55 n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i55 s GLU 130 N 0.99 3.13 0.27 -0.41 0.41 -1.26 -4.54 118.70 117.28 3i55 s GLU 130 Ca 0.87 -0.84 -0.03 0.00 -0.41 0.00 0.00 54.97 54.56 3i55 s GLU 130 Cb -0.98 -4.06 -0.02 0.00 -1.78 0.00 0.00 34.13 27.29 3i55 s GLU 130 CO 0.50 -1.13 0.32 -0.59 -0.49 0.00 0.00 175.26 173.87 3i55 s PHE 131 N 2.52 1.05 -0.39 1.61 -0.00 -1.26 0.44 117.98 121.95 3i55 s PHE 131 Ca 0.15 -1.25 0.03 0.00 -0.00 0.00 0.00 56.93 55.85 3i55 s PHE 131 Cb -0.19 -0.29 0.16 0.00 -0.00 0.00 0.00 43.02 42.70 3i55 s PHE 131 CO 0.13 -0.88 0.31 -0.51 -0.00 0.00 0.00 175.22 174.26 3i55 s ASP 132 N -3.18 1.85 0.19 1.98 1.01 -0.93 -5.06 116.67 112.53 3i55 s ASP 132 Ca 0.33 -2.61 -0.19 0.00 0.71 0.00 0.00 52.55 50.79 3i55 s ASP 132 Cb 0.03 -0.28 0.04 0.00 1.01 0.00 0.00 42.92 43.72 3i55 s ASP 132 CO 0.16 -0.22 0.56 -0.60 0.21 0.00 0.00 175.17 175.27 3i55 s ARG 133 N 0.54 1.38 -0.19 8.23 3.52 -1.26 -4.69 118.95 126.47 3i55 s ARG 133 Ca 0.26 -0.77 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 3i55 s ARG 133 Cb -0.07 0.55 -0.09 0.00 -1.56 0.00 0.00 34.95 33.77 3i55 s ARG 133 CO -0.11 -0.59 -0.23 -0.25 -0.81 0.00 0.00 175.30 173.30 3i55 n ASP 134 N -0.36 1.59 -4.38 -2.12 8.00 -1.26 -5.01 116.55 113.01 3i55 n ASP 134 Ca -0.12 0.18 -0.29 0.00 0.71 0.00 0.00 54.79 55.27 3i55 n ASP 134 Cb 0.63 -0.52 0.17 0.00 -0.02 0.00 0.00 41.12 41.37 3i55 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i55 s GLU 135 N -2.36 0.68 0.00 -1.24 2.02 -1.26 -4.78 118.70 111.76 3i55 s GLU 135 Ca -0.27 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.65 3i55 s GLU 135 Cb 0.10 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.51 3i55 s GLU 135 CO 0.35 -2.44 0.00 1.55 0.02 0.00 0.00 175.26 174.74 3i55 n VAL 136 N -3.86 0.00 -0.77 2.63 3.14 -1.26 -4.83 118.33 113.37 3i55 n VAL 136 Ca 0.11 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.19 3i55 n VAL 136 Cb 0.60 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 33.56 3i55 n VAL 136 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3i55 s PRO 137 N -1.24 0.55 -0.28 1.45 0.04 -1.24 -4.25 135.00 130.03 3i55 s PRO 137 Ca 0.00 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 3i55 s PRO 137 Cb 0.00 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.85 3i55 s PRO 137 CO 0.00 -2.83 1.01 0.08 0.04 0.00 0.00 177.00 175.30 3i55 s VAL 138 N -2.66 4.62 -0.19 -0.36 1.01 -1.07 -4.94 120.40 116.82 3i55 s VAL 138 Ca 0.66 1.77 -0.09 0.00 0.00 0.00 0.00 61.98 64.32 3i55 s VAL 138 Cb -0.22 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 3i55 s VAL 138 CO 0.60 -0.32 0.11 -0.69 0.00 0.00 0.00 175.10 174.80 3i55 s VAL 139 N 3.36 5.27 0.08 2.92 1.01 -1.26 -1.30 120.40 130.48 3i55 s VAL 139 Ca 0.43 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.61 3i55 s VAL 139 Cb -0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3i55 s VAL 139 CO 0.11 0.46 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 3i55 s VAL 140 N 0.23 1.28 0.28 2.92 1.01 -0.52 -2.09 120.40 123.51 3i55 s VAL 140 Ca 0.08 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 3i55 s VAL 140 Cb -0.11 -1.20 -0.11 0.00 0.00 0.00 0.00 36.38 34.96 3i55 s VAL 140 CO -0.01 -0.16 1.55 -0.94 0.00 0.00 0.00 175.10 175.54 3i55 s SER 141 N -1.72 6.45 0.42 3.32 1.04 -0.59 -0.14 113.70 122.48 3i55 s SER 141 Ca 0.01 2.87 0.05 0.00 0.48 0.00 0.00 55.95 59.36 3i55 s SER 141 Cb -0.10 -2.63 0.29 0.00 0.10 0.00 0.00 66.02 63.68 3i55 s SER 141 CO 0.03 -0.85 1.01 0.44 0.98 0.00 0.00 173.24 174.84 3i55 h ASP 142 N 4.90 0.00 0.00 7.02 3.32 -1.93 0.15 116.42 129.88 3i55 h ASP 142 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3i55 h ASP 142 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3i55 h ASP 142 CO 0.79 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.78 3i55 n ASP 143 N -2.05 0.18 0.03 6.45 9.92 -1.26 -2.79 116.55 127.03 3i55 n ASP 143 Ca -0.00 -1.71 -0.19 0.00 -0.53 0.00 0.00 54.79 52.35 3i55 n ASP 143 Cb 0.67 -0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.94 3i55 n ASP 143 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3i55 h PHE 144 N 0.03 0.74 0.00 1.24 3.57 -1.31 -3.19 116.94 118.03 3i55 h PHE 144 Ca 0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3i55 h PHE 144 Cb 0.09 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3i55 h PHE 144 CO 0.00 1.27 0.05 0.39 -2.23 0.00 0.00 178.31 177.79 3i55 n GLU 145 N -4.07 0.00 -0.02 1.11 1.02 -1.12 -1.68 120.64 115.88 3i55 n GLU 145 Ca -0.12 0.31 -0.12 0.00 -0.02 0.00 0.00 57.16 57.22 3i55 n GLU 145 Cb 0.79 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 30.52 3i55 n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i55 n ASP 146 N -1.30 1.12 -4.29 1.62 8.00 -1.20 -4.96 116.55 115.55 3i55 n ASP 146 Ca 0.00 0.34 -0.37 0.00 0.71 0.00 0.00 54.79 55.47 3i55 n ASP 146 Cb 0.05 -0.19 0.04 0.00 -0.02 0.00 0.00 41.12 40.99 3i55 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i55 n LEU 147 N -3.13 -2.29 0.00 0.64 4.77 -0.67 -4.95 117.00 111.37 3i55 n LEU 147 Ca -0.21 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3i55 n LEU 147 Cb 1.06 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3i55 n LEU 147 CO 0.44 -4.34 -0.16 0.52 -1.33 0.00 0.00 177.39 172.52 3i55 n VAL 148 N -2.02 0.00 -2.58 4.08 0.31 -1.26 -4.61 118.33 112.25 3i55 n VAL 148 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.97 3i55 n VAL 148 Cb 0.50 -0.25 -0.02 0.00 -0.91 0.00 0.00 33.84 33.15 3i55 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i55 s LYS 149 N -1.42 3.96 0.27 5.55 -0.14 -1.26 -4.35 119.74 122.36 3i55 s LYS 149 Ca 0.00 1.01 -0.06 0.00 -1.36 0.00 0.00 55.97 55.55 3i55 s LYS 149 Cb 0.00 -3.81 0.49 0.00 -1.68 0.00 0.00 37.83 32.83 3i55 s LYS 149 CO 0.00 -1.06 1.58 1.15 -0.76 0.00 0.00 175.35 176.27 3i55 h THR 150 N 5.90 0.11 -1.21 2.17 2.02 -1.91 0.54 112.91 120.52 3i55 h THR 150 Ca -0.22 -0.01 0.36 0.00 0.77 0.00 0.00 66.41 67.31 3i55 h THR 150 Cb 1.07 0.09 -0.11 0.00 -1.74 0.00 0.00 68.15 67.47 3i55 h THR 150 CO 1.05 0.00 0.79 1.56 0.37 0.00 0.00 175.52 179.30 3i55 h GLN 151 N 0.02 0.19 -0.43 6.66 1.08 -1.90 0.38 115.11 121.11 3i55 h GLN 151 Ca 0.47 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.55 3i55 h GLN 151 Cb 0.81 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 3i55 h GLN 151 CO -0.89 0.13 -0.15 0.93 -0.95 0.00 0.00 178.83 177.90 3i55 h GLU 152 N 0.20 0.81 0.00 1.46 5.08 -0.31 -2.22 114.58 119.61 3i55 h GLU 152 Ca 0.71 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3i55 h GLU 152 Cb 2.15 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.35 3i55 h GLU 152 CO -0.33 0.91 -0.01 0.28 -1.00 0.00 0.00 179.01 178.87 3i55 h VAL 153 N 0.72 0.04 -0.03 3.13 2.07 -0.24 -2.19 116.25 119.76 3i55 h VAL 153 Ca 0.11 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3i55 h VAL 153 Cb 0.65 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3i55 h VAL 153 CO 0.05 0.01 -0.09 0.58 0.02 0.00 0.00 177.57 178.14 3i55 h VAL 154 N 0.00 1.47 0.13 2.57 2.07 -1.16 -2.02 116.25 119.31 3i55 h VAL 154 Ca -0.00 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 66.01 3i55 h VAL 154 Cb 0.37 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 3i55 h VAL 154 CO 0.00 0.41 -0.47 0.28 0.02 0.00 0.00 177.57 177.81 3i55 h SER 155 N -0.46 -1.42 -0.79 0.57 0.02 -1.21 0.14 113.55 110.40 3i55 h SER 155 Ca -0.00 0.15 0.19 0.00 -0.84 0.00 0.00 61.79 61.28 3i55 h SER 155 Cb 0.71 0.52 -0.13 0.00 0.14 0.00 0.00 62.40 63.65 3i55 h SER 155 CO 0.02 -0.51 0.15 0.25 -1.14 0.00 0.00 176.83 175.61 3i55 h LEU 156 N -0.69 -0.09 -0.73 5.07 5.85 -1.47 0.31 115.31 123.57 3i55 h LEU 156 Ca -0.01 0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3i55 h LEU 156 Cb 0.68 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3i55 h LEU 156 CO -0.25 -0.12 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.56 3i55 h LEU 157 N 0.21 0.86 -1.14 2.25 3.38 -0.69 -1.62 115.31 118.55 3i55 h LEU 157 Ca 0.46 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3i55 h LEU 157 Cb 0.85 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3i55 h LEU 157 CO -0.60 0.98 -0.27 -0.33 0.09 0.00 0.00 178.44 178.31 3i55 h GLU 158 N 0.78 0.26 0.00 1.13 5.08 0.18 -0.91 114.58 121.10 3i55 h GLU 158 Ca 0.13 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3i55 h GLU 158 Cb 0.61 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3i55 h GLU 158 CO 0.04 0.52 -0.09 0.00 -1.00 0.00 0.00 179.01 178.48 3i55 h ALA 159 N 1.49 1.04 -0.44 3.43 0.00 0.18 -2.23 119.26 122.73 3i55 h ALA 159 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i55 h ALA 159 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i55 h ALA 159 CO 0.04 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3i55 n LEU 160 N -3.26 3.39 -1.69 0.00 4.77 -0.45 -4.84 117.00 114.92 3i55 n LEU 160 Ca -0.00 -1.66 -0.19 0.00 -0.03 0.00 0.00 56.01 54.12 3i55 n LEU 160 Cb 0.32 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3i55 n LEU 160 CO 0.29 0.78 -0.19 0.47 -1.33 0.00 0.00 177.39 177.40 3i55 n ASP 161 N 1.32 -5.12 -0.84 -1.43 8.00 -0.68 -4.81 116.55 112.99 3i55 n ASP 161 Ca 0.18 0.40 0.09 0.00 0.71 0.00 0.00 54.79 56.18 3i55 n ASP 161 Cb 0.56 -4.52 0.14 0.00 -0.02 0.00 0.00 41.12 37.28 3i55 n ASP 161 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3i55 n VAL 162 N -2.53 0.34 0.16 2.53 3.14 -0.57 -2.19 118.33 119.21 3i55 n VAL 162 Ca -0.20 -0.67 0.02 0.00 -2.96 0.00 0.00 64.34 60.53 3i55 n VAL 162 Cb 0.64 1.08 0.23 0.00 -1.06 0.00 0.00 33.84 34.73 3i55 n VAL 162 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 3i55 h HIS 163 N 3.49 0.00 -0.64 1.45 6.17 -1.85 -3.24 115.15 120.54 3i55 h HIS 163 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 60.37 61.21 3i55 h HIS 163 Cb 0.80 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.69 3i55 h HIS 163 CO 0.13 0.51 0.44 0.00 0.71 0.00 0.00 177.93 179.71 3i55 h ALA 164 N 1.49 2.19 -0.84 5.26 0.00 -1.79 -0.67 119.26 124.90 3i55 h ALA 164 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i55 h ALA 164 Cb 1.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3i55 h ALA 164 CO 0.07 -0.35 0.56 0.22 0.00 0.00 0.00 179.25 179.74 3i55 h ASP 165 N 0.30 0.94 -0.38 0.00 3.58 -0.03 -1.32 116.42 119.51 3i55 h ASP 165 Ca 0.31 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 3i55 h ASP 165 Cb 0.79 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3i55 h ASP 165 CO -0.07 0.67 -0.27 0.40 -2.88 0.00 0.00 179.24 177.09 3i55 h ILE 166 N 1.11 1.27 -0.05 2.25 2.04 -1.33 -1.35 117.51 121.44 3i55 h ILE 166 Ca 0.32 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.77 3i55 h ILE 166 Cb -0.08 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3i55 h ILE 166 CO -0.08 0.48 0.07 0.44 0.00 0.00 0.00 178.15 179.06 3i55 h ASP 167 N 0.77 0.00 -0.02 1.72 3.45 -1.00 -0.38 116.42 120.95 3i55 h ASP 167 Ca 0.09 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.47 3i55 h ASP 167 Cb 0.83 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.60 3i55 h ASP 167 CO 0.07 0.00 -0.31 -0.09 -1.57 0.00 0.00 179.24 177.35 3i55 h ARG 168 N 0.00 0.25 0.00 3.56 2.43 -0.46 -3.18 114.38 116.98 3i55 h ARG 168 Ca 0.03 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3i55 h ARG 168 Cb 0.16 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3i55 h ARG 168 CO -0.00 0.93 0.00 0.00 -1.51 0.00 0.00 179.97 179.39 3i55 n ALA 169 N -2.53 2.41 -2.19 2.80 0.00 -0.35 -4.12 120.51 116.54 3i55 n ALA 169 Ca -0.09 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.79 3i55 n ALA 169 Cb 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3i55 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i55 n ASP 170 N -0.99 7.74 -3.43 0.00 -0.08 -0.30 -4.25 116.55 115.24 3i55 n ASP 170 Ca 0.18 -3.29 0.01 0.00 -1.51 0.00 0.00 54.79 50.18 3i55 n ASP 170 Cb 0.08 -1.31 -0.03 0.00 2.34 0.00 0.00 41.12 42.20 3i55 n ASP 170 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3i55 s GLU 171 N -1.96 0.57 0.29 -0.67 2.02 -1.26 -5.03 118.70 112.67 3i55 s GLU 171 Ca 0.49 1.26 -0.17 0.00 0.02 0.00 0.00 54.97 56.57 3i55 s GLU 171 Cb 0.18 0.73 -0.09 0.00 0.10 0.00 0.00 34.13 35.05 3i55 s GLU 171 CO -0.10 -0.38 0.75 0.95 0.02 0.00 0.00 175.26 176.50 3i55 s THR 172 N 2.88 4.60 -0.14 3.63 -4.23 -1.26 -4.50 115.64 116.62 3i55 s THR 172 Ca 0.06 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 3i55 s THR 172 Cb -0.13 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 3i55 s THR 172 CO -0.20 -0.04 -0.15 -0.75 -0.54 0.00 0.00 174.62 172.94 3i55 s LYS 173 N -2.60 3.27 -0.59 3.99 2.20 0.14 -4.94 119.74 121.21 3i55 s LYS 173 Ca 0.51 -0.74 -0.21 0.00 -0.36 0.00 0.00 55.97 55.17 3i55 s LYS 173 Cb -0.13 -2.61 0.07 0.00 -1.51 0.00 0.00 37.83 33.66 3i55 s LYS 173 CO 0.19 0.10 0.80 0.42 -0.36 0.00 0.00 175.35 176.49 3i55 s ILE 174 N 0.62 4.62 0.39 5.43 1.01 -1.26 -1.27 121.20 130.74 3i55 s ILE 174 Ca -0.08 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 3i55 s ILE 174 Cb -0.16 -4.51 -0.11 0.00 0.01 0.00 0.00 42.46 37.69 3i55 s ILE 174 CO 0.03 -1.16 1.15 0.29 0.00 0.00 0.00 174.94 175.25 3i55 n LYS 175 N 6.87 1.68 -3.03 2.79 5.02 -0.62 -4.99 118.16 125.88 3i55 n LYS 175 Ca -0.06 0.60 -0.40 0.00 -2.02 0.00 0.00 58.31 56.43 3i55 n LYS 175 Cb 0.45 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.22 3i55 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i55 s ALA 176 N -1.19 3.42 0.00 7.82 0.00 -1.26 -4.83 121.76 125.72 3i55 s ALA 176 Ca 0.61 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3i55 s ALA 176 Cb -0.56 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3i55 s ALA 176 CO 0.58 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.93 3i55 n GLY 177 N 2.08 2.13 0.00 0.00 0.00 -1.26 -4.81 105.19 103.32 3i55 n GLY 177 Ca -0.05 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.92 3i55 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i55 n GLN 178 N -0.98 0.34 -0.08 1.61 6.02 -1.26 -3.23 117.38 119.80 3i55 n GLN 178 Ca 0.00 0.03 0.25 0.00 -0.01 0.00 0.00 57.00 57.27 3i55 n GLN 178 Cb 0.00 -1.50 0.72 0.00 1.02 0.00 0.00 30.24 30.48 3i55 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i55 h GLY 179 N 4.56 0.00 -0.06 1.08 0.00 -1.88 0.14 103.07 106.92 3i55 h GLY 179 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3i55 h GLY 179 CO 0.00 0.00 -0.32 0.23 0.00 0.00 0.00 176.54 176.45 3i55 h SER 180 N 0.00 -1.04 0.00 0.19 0.87 -1.70 0.17 113.55 112.04 3i55 h SER 180 Ca 0.34 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 3i55 h SER 180 Cb 1.51 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 3i55 h SER 180 CO -0.00 -0.33 0.00 0.00 -0.53 0.00 0.00 176.83 175.97 3i55 n ALA 181 N -2.94 1.86 -1.22 6.23 0.00 0.50 -2.14 120.51 122.79 3i55 n ALA 181 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.48 3i55 n ALA 181 Cb 0.33 -1.11 0.15 0.00 0.00 0.00 0.00 19.45 18.82 3i55 n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i55 n ARG 182 N -0.82 1.29 -0.60 0.00 1.74 0.57 -4.97 116.66 113.87 3i55 n ARG 182 Ca 0.05 -2.67 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 3i55 n ARG 182 Cb 0.02 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3i55 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i55 n GLY 183 N -1.31 1.21 2.59 -0.13 0.00 -0.91 -4.91 105.19 101.73 3i55 n GLY 183 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3i55 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i55 n ARG 184 N -2.00 2.89 0.18 1.61 1.74 -0.97 -4.75 116.66 115.37 3i55 n ARG 184 Ca 0.00 -3.63 -0.14 0.00 -0.77 0.00 0.00 57.85 53.31 3i55 n ARG 184 Cb 0.00 -2.27 -0.08 0.00 -1.02 0.00 0.00 32.46 29.08 3i55 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i55 h LYS 185 N 2.55 -0.43 -6.79 5.56 3.64 -1.74 -3.36 116.57 116.00 3i55 h LYS 185 Ca 0.53 0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 59.49 3i55 h LYS 185 Cb 0.52 0.10 0.05 0.00 -0.41 0.00 0.00 32.23 32.49 3i55 h LYS 185 CO 1.36 -0.18 -0.06 0.71 -2.27 0.00 0.00 179.45 179.01 3i55 s TYR 186 N -5.37 2.29 -0.22 1.91 1.51 -1.26 -1.59 117.35 114.62 3i55 s TYR 186 Ca -0.15 -0.28 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 3i55 s TYR 186 Cb 0.03 -2.64 0.12 0.00 -0.11 0.00 0.00 41.96 39.36 3i55 s TYR 186 CO 0.60 -1.03 0.97 -0.98 -1.11 0.00 0.00 175.55 174.00 3i55 s ARG 187 N -4.75 0.60 0.04 -0.62 1.04 -0.40 -4.83 118.95 110.03 3i55 s ARG 187 Ca 0.60 0.46 -0.07 0.00 -1.04 0.00 0.00 55.73 55.68 3i55 s ARG 187 Cb -0.08 0.29 -0.01 0.00 -2.04 0.00 0.00 34.95 33.11 3i55 s ARG 187 CO 0.39 -0.12 0.13 -0.98 -0.04 0.00 0.00 175.30 174.67 3i55 s ARG 188 N -0.29 0.62 0.34 3.89 1.70 -1.26 0.25 118.95 124.21 3i55 s ARG 188 Ca 0.00 -0.71 -0.28 0.00 -0.47 0.00 0.00 55.73 54.27 3i55 s ARG 188 Cb -0.03 0.25 -0.12 0.00 -0.57 0.00 0.00 34.95 34.48 3i55 s ARG 188 CO -0.02 -0.16 1.40 -2.30 -1.08 0.00 0.00 175.30 173.14 3i55 n PRO 189 N 0.75 2.39 -2.86 3.89 -0.02 -1.26 -4.97 135.00 132.92 3i55 n PRO 189 Ca -0.19 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 3i55 n PRO 189 Cb 0.59 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 3i55 n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i55 s ALA 190 N -0.93 3.22 0.00 3.55 0.00 -1.26 -4.39 121.76 121.95 3i55 s ALA 190 Ca 0.56 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3i55 s ALA 190 Cb -0.53 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3i55 s ALA 190 CO 0.61 0.20 0.00 -1.13 0.00 0.00 0.00 175.76 175.44 3i55 n SER 191 N 0.33 0.00 -4.72 0.00 3.41 0.13 -4.92 113.62 107.84 3i55 n SER 191 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 3i55 n SER 191 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3i55 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i55 s ILE 192 N 3.40 3.96 -0.23 -1.33 1.01 -1.25 -4.49 121.20 122.26 3i55 s ILE 192 Ca 0.00 1.53 -0.07 0.00 0.00 0.00 0.00 60.65 62.10 3i55 s ILE 192 Cb 0.00 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3i55 s ILE 192 CO 0.00 0.19 0.07 -0.22 0.00 0.00 0.00 174.94 174.98 3i55 s LEU 193 N 0.40 3.56 -0.29 2.97 2.96 -1.07 -1.75 118.68 125.45 3i55 s LEU 193 Ca 0.54 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 3i55 s LEU 193 Cb -0.29 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3i55 s LEU 193 CO 0.32 0.02 0.18 -0.36 -1.32 0.00 0.00 176.35 175.19 3i55 s PHE 194 N 1.30 3.20 -0.42 5.38 0.40 0.13 -1.74 117.98 126.24 3i55 s PHE 194 Ca 0.05 -0.08 -0.07 0.00 -0.60 0.00 0.00 56.93 56.23 3i55 s PHE 194 Cb -0.15 -2.38 0.09 0.00 0.51 0.00 0.00 43.02 41.10 3i55 s PHE 194 CO 0.04 -0.25 0.24 0.08 0.70 0.00 0.00 175.22 176.03 3i55 s VAL 195 N 1.72 3.90 0.00 -0.44 1.01 -0.57 -0.23 120.40 125.79 3i55 s VAL 195 Ca 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.41 3i55 s VAL 195 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3i55 s VAL 195 CO 0.10 -0.57 0.00 0.35 0.00 0.00 0.00 175.10 174.97 3i55 n THR 196 N 4.81 0.00 -0.01 3.92 -2.24 0.30 -1.78 114.28 119.28 3i55 n THR 196 Ca -0.08 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 3i55 n THR 196 Cb 0.42 -1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.36 3i55 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3i55 n SER 197 N -1.97 3.59 -0.08 3.42 2.88 -1.26 -1.61 113.62 118.58 3i55 n SER 197 Ca 0.00 -0.01 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 3i55 n SER 197 Cb 0.00 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 63.34 3i55 n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3i55 h ASP 198 N -0.00 0.00 -4.74 -3.46 5.19 -1.98 -3.43 116.42 107.99 3i55 h ASP 198 Ca -0.03 -0.53 -0.09 0.00 -0.62 0.00 0.00 57.03 55.76 3i55 h ASP 198 Cb 1.05 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.36 3i55 h ASP 198 CO -0.01 1.14 -0.06 -1.61 -3.12 0.00 0.00 179.24 175.59 3i55 s GLU 199 N -2.22 0.80 0.29 3.56 2.02 -1.26 -5.06 118.70 116.83 3i55 s GLU 199 Ca -0.21 0.20 -0.27 0.00 0.02 0.00 0.00 54.97 54.71 3i55 s GLU 199 Cb 0.02 0.37 -0.14 0.00 0.10 0.00 0.00 34.13 34.48 3i55 s GLU 199 CO 0.51 -0.21 0.85 -2.30 0.02 0.00 0.00 175.26 174.12 3i55 n PRO 200 N 1.49 0.97 -1.96 0.39 -0.02 -1.26 -4.76 135.00 129.85 3i55 n PRO 200 Ca -0.19 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 3i55 n PRO 200 Cb 0.56 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 3i55 n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i55 s SER 201 N -0.71 5.26 0.37 2.55 0.15 -1.26 -4.79 113.70 115.26 3i55 s SER 201 Ca 0.60 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.93 3i55 s SER 201 Cb -0.73 -2.52 0.75 0.00 -1.71 0.00 0.00 66.02 61.80 3i55 s SER 201 CO 0.59 -2.33 1.99 0.74 1.20 0.00 0.00 173.24 175.43 3i55 h THR 202 N 6.99 1.07 -0.20 6.45 2.02 -1.90 -1.64 112.91 125.70 3i55 h THR 202 Ca -0.27 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 3i55 h THR 202 Cb 1.18 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3i55 h THR 202 CO 1.18 0.13 -0.42 0.00 0.37 0.00 0.00 175.52 176.78 3i55 h ALA 203 N 1.63 0.90 0.00 6.16 0.00 -1.81 -3.35 119.26 122.79 3i55 h ALA 203 Ca 0.26 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3i55 h ALA 203 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i55 h ALA 203 CO -0.07 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 3i55 h ALA 204 N 1.16 0.02 -0.30 0.00 0.00 -1.74 -3.30 119.26 115.11 3i55 h ALA 204 Ca 0.03 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.58 3i55 h ALA 204 Cb 0.90 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3i55 h ALA 204 CO 0.08 0.09 -0.14 2.89 0.00 0.00 0.00 179.25 182.16 3i55 n ARG 205 N -4.65 -0.10 0.00 0.00 1.85 -0.68 0.19 116.66 113.28 3i55 n ARG 205 Ca -0.09 0.45 0.02 0.00 -1.00 0.00 0.00 57.85 57.23 3i55 n ARG 205 Cb 0.33 -0.67 0.09 0.00 -1.05 0.00 0.00 32.46 31.17 3i55 n ARG 205 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3i55 n ASN 206 N -4.41 0.00 -4.78 2.89 5.15 -1.26 -4.52 115.26 108.33 3i55 n ASN 206 Ca 0.02 -0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.51 3i55 n ASN 206 Cb 0.10 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.34 3i55 n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i55 s LEU 207 N -1.82 3.74 -0.21 1.20 1.43 0.13 -4.91 118.68 118.25 3i55 s LEU 207 Ca 0.05 2.04 -0.36 0.00 -1.03 0.00 0.00 54.13 54.83 3i55 s LEU 207 Cb 0.02 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.55 3i55 s LEU 207 CO 0.04 -1.07 1.92 0.00 0.23 0.00 0.00 176.35 177.47 3i55 n ALA 208 N -1.30 0.62 -1.35 4.21 0.00 -1.26 -1.16 120.51 120.27 3i55 n ALA 208 Ca 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 3i55 n ALA 208 Cb 0.52 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 3i55 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 209 N 4.87 1.18 3.75 0.00 0.00 -1.26 -4.67 105.19 109.07 3i55 n GLY 209 Ca 0.28 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3i55 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 s ALA 210 N -2.10 3.48 0.07 4.61 0.00 -0.31 0.18 121.76 127.68 3i55 s ALA 210 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.03 3i55 s ALA 210 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 3i55 s ALA 210 CO 0.00 0.12 -0.16 -0.51 0.00 0.00 0.00 175.76 175.21 3i55 s ASP 211 N 0.01 3.99 0.13 0.00 -0.00 -0.72 -4.75 116.67 115.33 3i55 s ASP 211 Ca 0.31 -0.44 0.10 0.00 -0.00 0.00 0.00 52.55 52.51 3i55 s ASP 211 Cb -0.18 -0.66 -0.04 0.00 -0.00 0.00 0.00 42.92 42.04 3i55 s ASP 211 CO 0.16 0.22 -0.24 0.68 -0.00 0.00 0.00 175.17 175.99 3i55 s VAL 212 N -1.05 2.03 0.17 -1.27 -7.23 -1.26 -0.69 120.40 111.09 3i55 s VAL 212 Ca 0.17 -1.71 -0.23 0.00 -1.81 0.00 0.00 61.98 58.40 3i55 s VAL 212 Cb -0.11 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 35.07 3i55 s VAL 212 CO 0.09 -0.01 0.69 0.00 -0.31 0.00 0.00 175.10 175.55 3i55 s ALA 213 N -1.21 -1.53 -0.14 1.32 0.00 0.68 -4.91 121.76 115.96 3i55 s ALA 213 Ca 0.12 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 3i55 s ALA 213 Cb -0.10 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 3i55 s ALA 213 CO 0.06 -0.85 -0.06 0.99 0.00 0.00 0.00 175.76 175.90 3i55 s THR 214 N -3.69 3.74 0.52 0.00 2.01 -1.26 -0.54 115.64 116.42 3i55 s THR 214 Ca 0.05 -0.42 0.37 0.00 0.31 0.00 0.00 61.69 62.00 3i55 s THR 214 Cb -0.02 -2.62 0.57 0.00 0.01 0.00 0.00 72.50 70.44 3i55 s THR 214 CO -0.06 0.51 1.72 0.00 -0.69 0.00 0.00 174.62 176.10 3i55 h ALA 215 N 6.53 3.16 0.00 7.40 0.00 -1.58 0.44 119.26 135.21 3i55 h ALA 215 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i55 h ALA 215 Cb 1.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i55 h ALA 215 CO 0.61 -1.60 0.00 0.66 0.00 0.00 0.00 179.25 178.92 3i55 h SER 216 N 0.06 0.00 0.00 0.00 4.64 -1.87 -3.34 113.55 113.04 3i55 h SER 216 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 3i55 h SER 216 Cb 2.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.68 3i55 h SER 216 CO -0.09 0.00 -0.06 -1.84 -0.87 0.00 0.00 176.83 173.97 3i55 n GLU 217 N -2.44 0.00 -1.78 4.77 0.28 -0.01 -5.09 120.64 116.38 3i55 n GLU 217 Ca 0.02 -0.42 -0.41 0.00 -0.16 0.00 0.00 57.16 56.18 3i55 n GLU 217 Cb 0.25 -0.36 -0.00 0.00 1.43 0.00 0.00 31.44 32.75 3i55 n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i55 s VAL 218 N 0.00 2.01 0.30 3.84 0.11 -0.32 -4.93 120.40 121.41 3i55 s VAL 218 Ca 0.00 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 3i55 s VAL 218 Cb 0.00 -3.01 0.01 0.00 -1.53 0.00 0.00 36.38 31.85 3i55 s VAL 218 CO 0.00 0.00 0.06 -0.46 -3.33 0.00 0.00 175.10 171.37 3i55 n ASN 219 N 0.94 2.62 -0.16 3.54 0.23 -1.26 -5.02 115.26 116.15 3i55 n ASN 219 Ca 0.03 -2.25 -0.05 0.00 -0.53 0.00 0.00 54.58 51.78 3i55 n ASN 219 Cb 0.38 0.15 0.04 0.00 -2.08 0.00 0.00 39.78 38.27 3i55 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3i55 h THR 220 N 1.01 0.99 -0.06 5.53 2.02 -1.93 -1.29 112.91 119.19 3i55 h THR 220 Ca -0.24 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3i55 h THR 220 Cb 0.74 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3i55 h THR 220 CO 0.39 0.09 0.04 -0.33 0.37 0.00 0.00 175.52 176.07 3i55 h GLU 221 N 0.50 0.07 0.32 6.66 5.08 -1.91 1.80 114.58 127.10 3i55 h GLU 221 Ca 0.20 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3i55 h GLU 221 Cb 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i55 h GLU 221 CO -0.13 0.04 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.33 3i55 h ASP 222 N 0.07 -0.37 -0.14 1.42 3.45 -1.66 -2.16 116.42 117.03 3i55 h ASP 222 Ca 0.02 -0.16 -0.11 0.00 0.43 0.00 0.00 57.03 57.21 3i55 h ASP 222 Cb 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3i55 h ASP 222 CO -0.00 -0.01 -0.35 -0.07 -1.57 0.00 0.00 179.24 177.24 3i55 h LEU 223 N -0.78 0.56 -6.44 1.55 -0.00 -0.88 -3.37 115.31 105.95 3i55 h LEU 223 Ca -0.04 -0.57 -0.65 0.00 -0.00 0.00 0.00 57.88 56.61 3i55 h LEU 223 Cb 0.51 -0.16 -0.39 0.00 -0.00 0.00 0.00 40.66 40.62 3i55 h LEU 223 CO 0.07 1.03 -0.26 0.00 -0.00 0.00 0.00 178.44 179.28 3i55 n ALA 224 N -2.50 4.28 -1.74 1.53 0.00 0.61 -3.13 120.51 119.56 3i55 n ALA 224 Ca -0.07 -4.77 -0.42 0.00 0.00 0.00 0.00 53.44 48.19 3i55 n ALA 224 Cb 0.51 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 3i55 n ALA 224 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i55 s PRO 225 N -2.46 4.13 -1.02 0.00 0.04 -0.81 -0.73 135.00 134.14 3i55 s PRO 225 Ca 0.37 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.00 3i55 s PRO 225 Cb 0.11 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3i55 s PRO 225 CO 0.00 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.72 3i55 n GLY 226 N 3.86 0.81 2.96 0.56 0.00 -1.26 -2.13 105.19 109.99 3i55 n GLY 226 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3i55 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 227 N -1.52 0.38 3.64 -0.02 0.00 0.09 -4.98 105.19 102.79 3i55 n GLY 227 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3i55 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 s ALA 228 N -2.01 3.57 0.70 4.61 0.00 -0.90 -4.24 121.76 123.47 3i55 s ALA 228 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3i55 s ALA 228 Cb 0.00 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.42 3i55 s ALA 228 CO 0.00 -0.50 1.06 -2.14 0.00 0.00 0.00 175.76 174.18 3i55 s PRO 229 N 1.75 2.91 0.00 0.00 0.02 -1.26 -3.31 135.00 135.11 3i55 s PRO 229 Ca 0.18 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.19 3i55 s PRO 229 Cb -0.15 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3i55 s PRO 229 CO 0.09 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.04 3i55 n GLY 230 N -1.87 0.77 3.72 0.52 0.00 -1.26 -4.56 105.19 102.51 3i55 n GLY 230 Ca 0.08 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3i55 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i55 s ARG 231 N -3.17 4.40 -0.50 1.61 3.52 -1.18 -4.01 118.95 119.60 3i55 s ARG 231 Ca 0.00 0.71 -0.26 0.00 -0.13 0.00 0.00 55.73 56.05 3i55 s ARG 231 Cb 0.00 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 3i55 s ARG 231 CO 0.00 0.11 2.43 -0.11 -0.81 0.00 0.00 175.30 176.92 3i55 n LEU 232 N 3.70 2.26 -4.95 -0.88 7.94 -1.26 -4.85 117.00 118.96 3i55 n LEU 232 Ca -0.04 -0.48 -0.20 0.00 -1.11 0.00 0.00 56.01 54.19 3i55 n LEU 232 Cb 0.51 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.90 3i55 n LEU 232 CO 0.45 -1.54 0.12 -0.89 -1.11 0.00 0.00 177.39 174.43 3i55 s THR 233 N 12.08 2.51 -0.26 1.96 2.01 -1.26 -2.59 115.64 130.09 3i55 s THR 233 Ca 1.00 -1.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 3i55 s THR 233 Cb -0.22 -2.71 0.14 0.00 0.01 0.00 0.00 72.50 69.72 3i55 s THR 233 CO 0.27 0.00 0.39 0.54 -0.69 0.00 0.00 174.62 175.13 3i55 s VAL 234 N -2.52 -0.62 0.45 3.82 0.11 -0.71 -2.60 120.40 118.34 3i55 s VAL 234 Ca 0.51 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.42 3i55 s VAL 234 Cb -0.05 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 3i55 s VAL 234 CO 0.31 -0.16 0.70 -0.36 -3.33 0.00 0.00 175.10 172.25 3i55 s PHE 235 N 2.55 3.35 0.01 1.54 0.40 -0.42 -1.51 117.98 123.90 3i55 s PHE 235 Ca 0.12 0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 56.85 3i55 s PHE 235 Cb -0.15 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 3i55 s PHE 235 CO -0.19 -0.31 0.20 -0.08 0.70 0.00 0.00 175.22 175.54 3i55 s THR 236 N -2.60 5.41 0.21 0.64 -1.32 -0.74 -1.43 115.64 115.80 3i55 s THR 236 Ca 0.47 -0.19 -0.18 0.00 -1.21 0.00 0.00 61.69 60.58 3i55 s THR 236 Cb -0.10 -3.57 0.18 0.00 -1.51 0.00 0.00 72.50 67.50 3i55 s THR 236 CO 0.40 0.27 1.58 -0.08 -2.21 0.00 0.00 174.62 174.58 3i55 h GLU 237 N 3.60 -0.10 -0.39 7.08 4.81 -0.83 0.93 114.58 129.68 3i55 h GLU 237 Ca -0.48 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3i55 h GLU 237 Cb 1.18 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3i55 h GLU 237 CO 0.71 -0.06 0.26 0.77 -0.73 0.00 0.00 179.01 179.95 3i55 h SER 238 N -0.10 0.43 0.41 1.04 0.02 -1.94 -2.41 113.55 111.00 3i55 h SER 238 Ca 0.28 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3i55 h SER 238 Cb 0.56 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3i55 h SER 238 CO -0.77 0.31 -0.20 0.00 -1.14 0.00 0.00 176.83 175.03 3i55 h ALA 239 N 1.76 -0.96 -1.54 3.77 0.00 0.34 0.29 119.26 122.93 3i55 h ALA 239 Ca 0.15 -0.12 0.48 0.00 0.00 0.00 0.00 54.91 55.41 3i55 h ALA 239 Cb -0.03 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3i55 h ALA 239 CO -0.03 -0.92 1.07 -0.11 0.00 0.00 0.00 179.25 179.26 3i55 n LEU 240 N -3.77 0.08 -0.08 0.00 0.00 0.14 0.99 117.00 114.37 3i55 n LEU 240 Ca -0.07 1.04 -0.16 0.00 0.00 0.00 0.00 56.01 56.83 3i55 n LEU 240 Cb 0.22 -0.52 -0.10 0.00 0.00 0.00 0.00 43.42 43.02 3i55 n LEU 240 CO 0.17 -1.09 -0.11 0.00 0.00 0.00 0.00 177.39 176.36 3i55 h ALA 241 N 1.12 0.12 -0.68 1.96 0.00 -1.30 -3.34 119.26 117.14 3i55 h ALA 241 Ca 0.82 -0.78 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3i55 h ALA 241 Cb 3.02 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 21.14 3i55 h ALA 241 CO -0.19 0.36 0.45 1.49 0.00 0.00 0.00 179.25 181.36 3i55 h GLU 242 N -1.00 0.70 0.00 0.00 4.81 0.25 0.42 114.58 119.75 3i55 h GLU 242 Ca -0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3i55 h GLU 242 Cb 1.02 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3i55 h GLU 242 CO -0.10 0.46 0.00 1.55 -0.73 0.00 0.00 179.01 180.20 3i55 n VAL 243 N -4.47 0.00 0.11 0.32 3.14 0.28 -3.20 118.33 114.50 3i55 n VAL 243 Ca 0.10 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.53 3i55 n VAL 243 Cb 0.21 -0.65 0.01 0.00 -1.06 0.00 0.00 33.84 32.34 3i55 n VAL 243 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i55 h ALA 244 N 3.13 0.67 -0.70 1.55 0.00 -1.02 -3.33 119.26 119.57 3i55 h ALA 244 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3i55 h ALA 244 Cb 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 3i55 h ALA 244 CO 0.00 0.46 0.26 0.39 0.00 0.00 0.00 179.25 180.36 3i55 n GLU 245 N -2.96 3.45 0.00 0.00 1.02 -1.19 -4.78 120.64 116.18 3i55 n GLU 245 Ca -0.02 -3.08 0.15 0.00 -0.02 0.00 0.00 57.16 54.19 3i55 n GLU 245 Cb 0.69 -2.17 0.91 0.00 -0.02 0.00 0.00 31.44 30.85 3i55 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85