#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c84 h MET 3 N 0.00 0.00 0.13 5.31 -0.00 -1.87 -1.79 114.93 116.70 1c84 h MET 3 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.39 1c84 h MET 3 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1c84 h MET 3 CO 0.00 0.00 -1.58 1.49 -0.00 0.00 0.00 176.91 176.82 1c84 h GLU 4 N 0.00 0.27 -0.43 -0.10 4.81 -1.98 0.18 114.58 117.32 1c84 h GLU 4 Ca 0.00 -0.46 0.07 0.00 -0.13 0.00 0.00 59.36 58.84 1c84 h GLU 4 Cb 0.45 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1c84 h GLU 4 CO 0.00 1.22 0.09 0.87 -0.73 0.00 0.00 179.01 180.46 1c84 h LYS 5 N -0.19 0.22 -0.24 1.92 1.57 -1.96 -1.88 116.57 116.02 1c84 h LYS 5 Ca -0.34 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1c84 h LYS 5 Cb 1.86 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.09 1c84 h LYS 5 CO 0.07 0.15 0.07 1.49 -0.57 0.00 0.00 179.45 180.66 1c84 h GLU 6 N 0.23 0.17 -0.53 3.15 4.81 -1.32 0.38 114.58 121.48 1c84 h GLU 6 Ca 0.21 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1c84 h GLU 6 Cb 0.26 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 1c84 h GLU 6 CO -0.27 0.11 -0.42 0.35 -0.73 0.00 0.00 179.01 178.06 1c84 h PHE 7 N 0.18 -1.21 -0.37 0.92 3.57 -0.69 0.24 116.94 119.57 1c84 h PHE 7 Ca 0.10 0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 1c84 h PHE 7 Cb 0.08 0.61 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1c84 h PHE 7 CO -0.13 -0.42 -0.14 0.93 -2.23 0.00 0.00 178.31 176.32 1c84 h GLU 8 N -0.25 0.76 -0.83 1.11 5.08 -1.09 0.22 114.58 119.58 1c84 h GLU 8 Ca 0.18 -0.31 0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1c84 h GLU 8 Cb 0.57 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.64 1c84 h GLU 8 CO -0.65 0.92 -0.35 1.96 -1.00 0.00 0.00 179.01 179.89 1c84 h GLN 9 N 0.55 -0.06 -0.00 2.33 4.20 0.08 0.49 115.11 122.70 1c84 h GLN 9 Ca 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1c84 h GLN 9 Cb 0.67 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1c84 h GLN 9 CO 0.05 -0.04 -0.00 0.82 -0.67 0.00 0.00 178.83 178.99 1c84 h ILE 10 N -0.06 1.29 0.15 2.54 2.04 -0.06 -1.68 117.51 121.72 1c84 h ILE 10 Ca 0.31 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1c84 h ILE 10 Cb 0.58 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1c84 h ILE 10 CO -0.86 0.22 -0.33 0.44 0.00 0.00 0.00 178.15 177.61 1c84 h ASP 11 N -0.36 -0.98 -1.00 1.72 5.19 -0.63 -0.27 116.42 120.09 1c84 h ASP 11 Ca 0.00 0.10 0.26 0.00 -0.62 0.00 0.00 57.03 56.77 1c84 h ASP 11 Cb 0.36 0.35 -0.07 0.00 0.18 0.00 0.00 39.33 40.15 1c84 h ASP 11 CO 0.00 -0.38 0.67 0.07 -3.12 0.00 0.00 179.24 176.49 1c84 h LYS 12 N -0.53 0.27 -1.38 3.56 2.10 -0.02 0.12 116.57 120.69 1c84 h LYS 12 Ca -0.01 -0.02 -0.62 0.00 -2.00 0.00 0.00 60.65 58.00 1c84 h LYS 12 Cb 0.51 -0.06 -0.38 0.00 -0.90 0.00 0.00 32.23 31.39 1c84 h LYS 12 CO -0.14 0.18 -0.28 -1.13 -2.00 0.00 0.00 179.45 176.08 1c84 n SER 13 N -4.48 5.54 0.00 7.07 3.41 -0.63 -4.99 113.62 119.54 1c84 n SER 13 Ca 0.23 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 1c84 n SER 13 Cb 0.90 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1c84 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c84 n GLY 14 N -0.58 0.00 0.70 5.00 0.00 0.41 -4.80 105.19 105.92 1c84 n GLY 14 Ca 0.45 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.52 1c84 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c84 n SER 15 N 0.00 1.14 -0.28 1.61 3.41 -0.26 -4.78 113.62 114.47 1c84 n SER 15 Ca 0.00 -2.63 0.01 0.00 -0.26 0.00 0.00 58.87 55.99 1c84 n SER 15 Cb 0.00 -0.35 0.08 0.00 -0.26 0.00 0.00 64.21 63.68 1c84 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1c84 h TRP 16 N 0.48 -0.55 -0.67 7.33 4.06 -1.87 -0.29 115.95 124.43 1c84 h TRP 16 Ca -0.06 0.07 -0.05 0.00 2.06 0.00 0.00 58.89 60.92 1c84 h TRP 16 Cb 1.37 0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 29.86 1c84 h TRP 16 CO 0.23 -0.36 0.23 0.00 -3.56 0.00 0.00 178.44 174.99 1c84 h ALA 17 N 1.65 1.15 0.44 1.49 0.00 -1.91 -0.35 119.26 121.73 1c84 h ALA 17 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1c84 h ALA 17 Cb 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1c84 h ALA 17 CO -0.82 0.60 -0.21 0.00 0.00 0.00 0.00 179.25 178.82 1c84 h ALA 18 N 1.27 -0.83 -0.59 0.00 0.00 -1.78 0.56 119.26 117.89 1c84 h ALA 18 Ca 0.22 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1c84 h ALA 18 Cb 0.24 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1c84 h ALA 18 CO -0.01 -0.79 -0.34 -0.89 0.00 0.00 0.00 179.25 177.21 1c84 n ILE 19 N -4.18 -0.40 -0.16 0.00 2.08 -0.17 -0.28 119.36 116.26 1c84 n ILE 19 Ca -0.07 1.42 -0.08 0.00 0.56 0.00 0.00 62.75 64.58 1c84 n ILE 19 Cb 0.23 -1.76 0.01 0.00 -0.75 0.00 0.00 39.64 37.37 1c84 n ILE 19 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 1c84 h TYR 20 N 0.00 0.64 -0.86 1.39 3.20 -1.08 0.27 116.97 120.53 1c84 h TYR 20 Ca 0.10 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.06 1c84 h TYR 20 Cb 0.24 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.23 1c84 h TYR 20 CO -0.60 0.47 0.50 1.96 -1.64 0.00 0.00 178.16 178.85 1c84 h GLN 21 N 0.62 0.81 0.04 1.82 4.20 0.36 0.19 115.11 123.14 1c84 h GLN 21 Ca 0.17 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.86 1c84 h GLN 21 Cb 0.03 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1c84 h GLN 21 CO -0.03 0.53 -0.25 -0.44 -0.67 0.00 0.00 178.83 177.98 1c84 h ASP 22 N 0.83 -0.73 -0.82 1.46 3.32 0.16 0.41 116.42 121.05 1c84 h ASP 22 Ca 0.42 0.09 0.20 0.00 0.02 0.00 0.00 57.03 57.76 1c84 h ASP 22 Cb 0.39 0.29 -0.14 0.00 0.22 0.00 0.00 39.33 40.08 1c84 h ASP 22 CO -0.25 -0.32 0.05 0.40 -1.72 0.00 0.00 179.24 177.40 1c84 h ILE 23 N -0.41 0.28 -0.61 0.35 2.04 -0.12 0.20 117.51 119.24 1c84 h ILE 23 Ca 0.05 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 1c84 h ILE 23 Cb 0.47 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1c84 h ILE 23 CO -0.19 0.02 0.06 0.03 0.00 0.00 0.00 178.15 178.07 1c84 h ARG 24 N 0.11 1.03 -0.04 2.37 3.08 0.40 0.16 114.38 121.50 1c84 h ARG 24 Ca 0.47 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1c84 h ARG 24 Cb 0.89 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1c84 h ARG 24 CO -0.71 0.99 -0.02 0.72 -1.07 0.00 0.00 179.97 179.87 1c84 n HIS 25 N -4.25 -0.02 0.10 3.04 8.25 0.13 -3.55 115.22 118.93 1c84 n HIS 25 Ca 0.03 0.04 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1c84 n HIS 25 Cb 0.31 -0.43 0.05 0.00 1.12 0.00 0.00 29.99 31.04 1c84 n HIS 25 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1c84 h GLU 26 N 0.00 0.08 -6.39 -0.41 5.08 -0.61 -3.48 114.58 108.85 1c84 h GLU 26 Ca 0.01 -0.07 -0.61 0.00 -1.00 0.00 0.00 59.36 57.69 1c84 h GLU 26 Cb 0.01 0.02 0.14 0.00 0.50 0.00 0.00 28.75 29.42 1c84 h GLU 26 CO -0.03 0.81 -0.23 0.00 -1.00 0.00 0.00 179.01 178.55 1c84 n ALA 27 N -2.42 -1.11 -1.66 3.43 0.00 0.56 -4.93 120.51 114.38 1c84 n ALA 27 Ca -0.02 0.23 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 1c84 n ALA 27 Cb 0.74 -1.85 0.07 0.00 0.00 0.00 0.00 19.45 18.41 1c84 n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1c84 n SER 28 N 1.17 1.88 -3.84 0.00 7.64 -1.26 -5.03 113.62 114.17 1c84 n SER 28 Ca 0.11 0.80 -0.29 0.00 1.01 0.00 0.00 58.87 60.51 1c84 n SER 28 Cb 0.37 -1.54 -0.16 0.00 -1.01 0.00 0.00 64.21 61.87 1c84 n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1c84 s ASP 29 N -1.44 3.42 0.28 6.43 2.15 -1.26 -4.92 116.67 121.33 1c84 s ASP 29 Ca 0.82 -1.04 0.11 0.00 0.43 0.00 0.00 52.55 52.87 1c84 s ASP 29 Cb -0.37 -0.89 -0.05 0.00 -0.30 0.00 0.00 42.92 41.30 1c84 s ASP 29 CO 0.42 -0.28 -0.11 -0.36 -0.17 0.00 0.00 175.17 174.67 1c84 s PHE 30 N 1.62 2.47 0.33 -5.34 0.08 -1.26 -5.09 117.98 110.78 1c84 s PHE 30 Ca -0.03 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.45 1c84 s PHE 30 Cb -0.18 -1.09 -0.13 0.00 -0.57 0.00 0.00 43.02 41.05 1c84 s PHE 30 CO -0.08 0.67 1.23 -0.35 -0.10 0.00 0.00 175.22 176.59 1c84 n PRO 31 N -0.75 1.95 -1.70 0.24 -0.04 -1.26 -4.84 135.00 128.61 1c84 n PRO 31 Ca -0.06 0.69 -0.16 0.00 -0.04 0.00 0.00 63.50 63.93 1c84 n PRO 31 Cb 0.60 -2.22 0.07 0.00 -0.04 0.00 0.00 33.50 31.90 1c84 n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c84 h ARG 33 N 1.90 0.21 -0.64 0.00 -0.00 -1.92 -2.26 114.38 111.68 1c84 h ARG 33 Ca 0.27 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.72 1c84 h ARG 33 Cb 1.41 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 31.30 1c84 h ARG 33 CO 0.56 0.14 0.35 0.28 0.00 0.00 0.00 179.97 181.30 1c84 h VAL 34 N 0.22 1.20 -0.53 2.04 2.07 -1.91 -2.54 116.25 116.79 1c84 h VAL 34 Ca 0.45 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1c84 h VAL 34 Cb 0.82 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1c84 h VAL 34 CO -0.58 0.22 0.35 0.00 0.02 0.00 0.00 177.57 177.58 1c84 h ALA 35 N 1.17 1.67 -0.39 1.67 0.00 -1.71 -0.80 119.26 120.88 1c84 h ALA 35 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1c84 h ALA 35 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1c84 h ALA 35 CO -0.04 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.13 1c84 n LYS 36 N -4.46 2.07 -2.09 0.00 4.76 -0.98 -4.62 118.16 112.83 1c84 n LYS 36 Ca 0.05 -1.64 -0.41 0.00 -2.87 0.00 0.00 58.31 53.45 1c84 n LYS 36 Cb 0.09 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 1c84 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1c84 s LEU 37 N -1.22 4.41 0.48 -0.35 2.01 -0.31 -4.88 118.68 118.83 1c84 s LEU 37 Ca 0.33 2.67 0.27 0.00 0.01 0.00 0.00 54.13 57.41 1c84 s LEU 37 Cb 0.18 -3.64 1.12 0.00 0.01 0.00 0.00 46.19 43.86 1c84 s LEU 37 CO 0.24 -0.58 1.91 1.55 1.01 0.00 0.00 176.35 180.48 1c84 h PRO 38 N 3.93 0.00 -0.05 1.29 0.13 -1.90 0.41 132.00 135.81 1c84 h PRO 38 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1c84 h PRO 38 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c84 h PRO 38 CO 0.69 0.16 0.36 -0.22 -0.23 0.00 0.00 178.00 178.77 1c84 h LYS 39 N 0.00 0.00 -0.40 0.86 3.64 -1.95 -3.01 116.57 115.71 1c84 h LYS 39 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1c84 h LYS 39 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1c84 h LYS 39 CO 0.02 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.29 1c84 n ASN 40 N -2.98 3.08 0.04 4.20 3.02 0.14 -4.65 115.26 118.11 1c84 n ASN 40 Ca -0.01 -1.98 -0.12 0.00 -0.03 0.00 0.00 54.58 52.45 1c84 n ASN 40 Cb 0.43 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1c84 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1c84 h LYS 41 N 2.51 -0.46 0.00 3.52 3.64 -1.58 0.17 116.57 124.36 1c84 h LYS 41 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1c84 h LYS 41 Cb 0.77 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1c84 h LYS 41 CO 0.00 -0.31 0.00 0.27 -2.27 0.00 0.00 179.45 177.14 1c84 n ASN 42 N -5.43 0.00 -0.75 4.20 6.94 -1.26 -1.27 115.26 117.69 1c84 n ASN 42 Ca -0.05 -1.78 0.12 0.00 -0.02 0.00 0.00 54.58 52.86 1c84 n ASN 42 Cb 0.34 0.00 0.20 0.00 -2.36 0.00 0.00 39.78 37.96 1c84 n ASN 42 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1c84 n ARG 43 N -0.55 1.95 -5.04 -3.83 1.74 0.59 -4.93 116.66 106.59 1c84 n ARG 43 Ca 0.02 -1.51 -0.32 0.00 -0.77 0.00 0.00 57.85 55.28 1c84 n ARG 43 Cb 0.01 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 1c84 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1c84 s ASN 44 N -2.09 3.50 0.06 0.55 0.01 -0.40 -4.36 114.94 112.21 1c84 s ASN 44 Ca 0.29 -0.44 -0.06 0.00 -0.71 0.00 0.00 52.86 51.94 1c84 s ASN 44 Cb 0.20 -1.33 -0.30 0.00 0.41 0.00 0.00 41.25 40.24 1c84 s ASN 44 CO 0.36 0.19 1.09 -0.09 -1.51 0.00 0.00 177.10 177.14 1c84 h ARG 45 N 6.47 0.31 -4.84 -0.60 2.43 -1.86 -3.44 114.38 112.86 1c84 h ARG 45 Ca -0.26 -0.54 -0.62 0.00 -0.81 0.00 0.00 59.98 57.75 1c84 h ARG 45 Cb 1.21 0.20 -0.35 0.00 -0.42 0.00 0.00 29.97 30.61 1c84 h ARG 45 CO 0.50 1.25 -0.84 0.71 -1.51 0.00 0.00 179.97 180.08 1c84 s TYR 46 N -2.64 2.30 0.20 2.20 2.02 -1.26 -5.00 117.35 115.16 1c84 s TYR 46 Ca -0.05 -1.23 0.03 0.00 -0.37 0.00 0.00 57.07 55.45 1c84 s TYR 46 Cb 0.07 -1.64 0.53 0.00 -0.40 0.00 0.00 41.96 40.51 1c84 s TYR 46 CO 0.89 -0.63 0.96 -2.13 -1.57 0.00 0.00 175.55 173.07 1c84 n ARG 47 N 4.47 -0.05 -0.28 -0.62 0.63 -1.26 -1.26 116.66 118.28 1c84 n ARG 47 Ca -0.19 0.91 0.10 0.00 -0.92 0.00 0.00 57.85 57.75 1c84 n ARG 47 Cb 0.51 -1.47 0.25 0.00 0.45 0.00 0.00 32.46 32.20 1c84 n ARG 47 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1c84 n ASP 48 N -4.72 3.56 -3.93 6.15 8.00 -1.26 -4.76 116.55 119.59 1c84 n ASP 48 Ca 0.16 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.37 1c84 n ASP 48 Cb 0.52 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 41.09 1c84 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1c84 s VAL 49 N -1.06 1.49 0.04 2.53 1.01 -0.39 -5.10 120.40 118.92 1c84 s VAL 49 Ca 0.40 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1c84 s VAL 49 Cb 0.21 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1c84 s VAL 49 CO 0.28 -0.12 -0.08 -0.44 0.00 0.00 0.00 175.10 174.73 1c84 s SER 50 N 1.41 0.88 0.15 3.32 0.01 -1.26 -4.52 113.70 113.69 1c84 s SER 50 Ca -0.05 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1c84 s SER 50 Cb -0.19 0.02 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 1c84 s SER 50 CO -0.07 -0.16 1.19 -2.16 0.41 0.00 0.00 173.24 172.45 1c84 s PRO 51 N -1.41 4.49 0.64 12.44 0.04 -1.26 -4.59 135.00 145.34 1c84 s PRO 51 Ca -0.08 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 1c84 s PRO 51 Cb -0.09 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1c84 s PRO 51 CO 0.00 -0.12 1.26 -0.06 0.04 0.00 0.00 177.00 178.13 1c84 s PHE 52 N 0.22 2.16 0.18 0.56 0.08 -1.26 -4.59 117.98 115.33 1c84 s PHE 52 Ca 0.54 1.50 -0.04 0.00 0.12 0.00 0.00 56.93 59.05 1c84 s PHE 52 Cb -0.32 -3.62 0.08 0.00 -0.57 0.00 0.00 43.02 38.60 1c84 s PHE 52 CO 0.34 -2.71 1.49 -0.44 -0.10 0.00 0.00 175.22 173.80 1c84 h ASP 53 N 0.57 0.68 0.01 1.36 3.32 -0.94 -0.08 116.42 121.33 1c84 h ASP 53 Ca -0.51 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.18 1c84 h ASP 53 Cb 1.32 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1c84 h ASP 53 CO 0.53 1.09 -0.00 1.12 -1.72 0.00 0.00 179.24 180.26 1c84 h HIS 54 N 0.47 0.00 0.00 4.55 2.07 -1.92 -3.06 115.15 117.27 1c84 h HIS 54 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1c84 h HIS 54 Cb 1.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1c84 h HIS 54 CO 0.05 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.78 1c84 n SER 55 N -4.19 1.41 -4.75 3.10 3.41 -1.13 -5.06 113.62 106.42 1c84 n SER 55 Ca -0.03 -1.43 -0.38 0.00 -0.26 0.00 0.00 58.87 56.77 1c84 n SER 55 Cb 0.09 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1c84 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c84 s ARG 56 N -0.43 3.06 -0.15 4.33 1.70 -0.06 -0.90 118.95 126.50 1c84 s ARG 56 Ca 0.00 2.19 -0.29 0.00 -0.47 0.00 0.00 55.73 57.16 1c84 s ARG 56 Cb 0.00 -2.19 -0.02 0.00 -0.57 0.00 0.00 34.95 32.18 1c84 s ARG 56 CO 0.00 -1.24 1.24 0.42 -1.08 0.00 0.00 175.30 174.64 1c84 s ILE 57 N -1.33 4.30 0.02 4.99 -1.09 -0.80 -4.80 121.20 122.48 1c84 s ILE 57 Ca 0.73 1.58 -0.23 0.00 -2.23 0.00 0.00 60.65 60.50 1c84 s ILE 57 Cb -0.39 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 1c84 s ILE 57 CO 0.46 -0.12 0.70 -0.54 -1.23 0.00 0.00 174.94 174.21 1c84 s LYS 58 N 3.30 4.43 0.34 2.79 1.02 -1.26 -4.22 119.74 126.13 1c84 s LYS 58 Ca 0.54 0.93 -0.28 0.00 0.02 0.00 0.00 55.97 57.18 1c84 s LYS 58 Cb -0.22 -3.36 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 1c84 s LYS 58 CO 0.15 0.29 1.18 -0.51 -0.92 0.00 0.00 175.35 175.54 1c84 s LEU 59 N -0.01 4.39 -1.04 3.17 1.43 0.65 -4.93 118.68 122.34 1c84 s LEU 59 Ca 0.36 2.40 -0.08 0.00 -1.03 0.00 0.00 54.13 55.79 1c84 s LEU 59 Cb -0.19 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.17 1c84 s LEU 59 CO 0.20 -0.43 3.01 1.41 0.23 0.00 0.00 176.35 180.77 1c84 n HIS 60 N 0.68 1.76 -4.95 0.29 8.25 -1.26 -4.41 115.22 115.58 1c84 n HIS 60 Ca 0.01 -2.53 -0.29 0.00 -0.26 0.00 0.00 57.72 54.66 1c84 n HIS 60 Cb 0.45 -2.04 -0.15 0.00 1.12 0.00 0.00 29.99 29.37 1c84 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1c84 s GLN 61 N 0.85 1.74 0.38 -0.41 -2.07 -1.26 -5.03 119.66 113.87 1c84 s GLN 61 Ca 0.65 -0.97 0.20 0.00 -1.82 0.00 0.00 55.36 53.43 1c84 s GLN 61 Cb 0.24 -1.81 0.33 0.00 -1.09 0.00 0.00 33.01 30.67 1c84 s GLN 61 CO -0.07 0.48 1.58 0.93 -1.32 0.00 0.00 175.29 176.89 1c84 h GLU 62 N 5.11 0.00 -0.30 9.60 5.08 -2.03 -3.28 114.58 128.76 1c84 h GLU 62 Ca -0.43 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1c84 h GLU 62 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1c84 h GLU 62 CO 0.45 0.21 -0.01 0.22 -1.00 0.00 0.00 179.01 178.88 1c84 h ASP 63 N 0.00 0.52 -0.17 1.42 3.58 -1.97 -3.44 116.42 116.37 1c84 h ASP 63 Ca -0.00 -0.32 0.23 0.00 0.42 0.00 0.00 57.03 57.36 1c84 h ASP 63 Cb 1.11 -0.14 -0.18 0.00 1.72 0.00 0.00 39.33 41.83 1c84 h ASP 63 CO 0.03 0.72 0.01 0.21 -2.88 0.00 0.00 179.24 177.33 1c84 s ASN 64 N -6.05 -0.27 0.00 2.28 3.84 -1.26 -5.04 114.94 108.44 1c84 s ASN 64 Ca -0.13 0.01 0.03 0.00 0.21 0.00 0.00 52.86 52.98 1c84 s ASN 64 Cb 0.08 1.08 0.17 0.00 -0.55 0.00 0.00 41.25 42.03 1c84 s ASN 64 CO 0.76 -0.05 0.53 -0.90 -2.79 0.00 0.00 177.10 174.66 1c84 n ASP 65 N 4.91 0.00 -4.69 -4.21 5.68 -1.24 -4.84 116.55 112.16 1c84 n ASP 65 Ca 0.09 -0.18 -0.39 0.00 -0.50 0.00 0.00 54.79 53.81 1c84 n ASP 65 Cb 0.59 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.51 1c84 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1c84 s TYR 66 N -2.00 3.48 -0.01 2.11 5.04 -1.26 -0.25 117.35 124.46 1c84 s TYR 66 Ca 0.04 1.04 0.02 0.00 -2.44 0.00 0.00 57.07 55.73 1c84 s TYR 66 Cb 0.02 -2.75 -0.00 0.00 0.35 0.00 0.00 41.96 39.57 1c84 s TYR 66 CO 0.03 -0.01 -0.07 -1.50 -1.34 0.00 0.00 175.55 172.67 1c84 s ILE 67 N 1.24 0.53 -1.08 3.14 2.07 -1.26 -4.94 121.20 120.91 1c84 s ILE 67 Ca 0.31 -0.28 -0.22 0.00 -1.41 0.00 0.00 60.65 59.05 1c84 s ILE 67 Cb -0.16 -0.45 -0.01 0.00 0.13 0.00 0.00 42.46 41.96 1c84 s ILE 67 CO 0.13 0.15 1.78 0.21 -1.91 0.00 0.00 174.94 175.31 1c84 s ASN 68 N -0.10 5.78 -0.06 4.50 3.84 -1.26 -4.68 114.94 122.96 1c84 s ASN 68 Ca 0.02 -1.46 -0.17 0.00 0.21 0.00 0.00 52.86 51.45 1c84 s ASN 68 Cb -0.03 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1c84 s ASN 68 CO -0.00 -2.22 0.40 0.00 -2.79 0.00 0.00 177.10 172.48 1c84 s ALA 69 N 7.93 -1.01 0.05 1.71 0.00 -1.26 -2.69 121.76 126.49 1c84 s ALA 69 Ca 0.61 0.72 0.04 0.00 0.00 0.00 0.00 51.96 53.33 1c84 s ALA 69 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1c84 s ALA 69 CO 0.02 -0.26 -0.13 -1.12 0.00 0.00 0.00 175.76 174.27 1c84 s SER 70 N -0.87 1.53 -0.44 0.00 0.01 0.29 -1.91 113.70 112.30 1c84 s SER 70 Ca -0.09 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 56.45 1c84 s SER 70 Cb -0.04 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1c84 s SER 70 CO 0.04 -0.03 0.70 -0.22 0.41 0.00 0.00 173.24 174.14 1c84 s LEU 71 N -1.33 4.41 -0.38 2.44 2.96 -0.08 -1.04 118.68 125.67 1c84 s LEU 71 Ca -0.01 -0.26 -0.24 0.00 -0.22 0.00 0.00 54.13 53.41 1c84 s LEU 71 Cb -0.08 -2.82 0.01 0.00 0.50 0.00 0.00 46.19 43.80 1c84 s LEU 71 CO 0.01 -0.83 0.81 -0.63 -1.32 0.00 0.00 176.35 174.39 1c84 s ILE 72 N 3.00 4.69 -0.44 6.68 1.09 0.78 -4.90 121.20 132.10 1c84 s ILE 72 Ca 0.25 0.84 -0.01 0.00 -1.10 0.00 0.00 60.65 60.63 1c84 s ILE 72 Cb -0.13 -4.25 0.12 0.00 -1.06 0.00 0.00 42.46 37.13 1c84 s ILE 72 CO 0.20 -0.51 0.22 -0.75 -0.10 0.00 0.00 174.94 174.01 1c84 s LYS 73 N 3.21 2.01 -1.02 2.79 2.20 -1.26 -0.91 119.74 126.77 1c84 s LYS 73 Ca 0.32 -2.02 -0.17 0.00 -0.36 0.00 0.00 55.97 53.74 1c84 s LYS 73 Cb -0.13 -3.53 0.14 0.00 -1.51 0.00 0.00 37.83 32.81 1c84 s LYS 73 CO 0.19 -1.07 1.23 -1.64 -0.36 0.00 0.00 175.35 173.69 1c84 s MET 74 N 0.77 3.75 0.16 4.03 -1.94 -0.12 -4.93 119.30 121.03 1c84 s MET 74 Ca 0.11 -2.00 -0.14 0.00 -1.71 0.00 0.00 55.69 51.95 1c84 s MET 74 Cb -0.22 -4.97 0.05 0.00 2.01 0.00 0.00 34.83 31.69 1c84 s MET 74 CO -0.04 -1.78 1.74 1.49 -0.01 0.00 0.00 175.02 176.41 1c84 h GLU 75 N 8.33 0.74 0.37 2.03 4.81 -1.96 0.20 114.58 129.11 1c84 h GLU 75 Ca 0.21 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1c84 h GLU 75 Cb 0.98 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1c84 h GLU 75 CO 1.16 0.62 -0.18 1.49 -0.73 0.00 0.00 179.01 181.37 1c84 h GLU 76 N 0.69 -0.48 -0.94 1.92 4.81 -1.94 -2.64 114.58 115.99 1c84 h GLU 76 Ca 0.18 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.71 1c84 h GLU 76 Cb 0.13 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1c84 h GLU 76 CO -0.02 -0.16 0.86 0.00 -0.73 0.00 0.00 179.01 178.95 1c84 h ALA 77 N -0.46 2.80 -5.87 2.92 0.00 -1.91 -3.46 119.26 113.28 1c84 h ALA 77 Ca -0.05 -0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.43 1c84 h ALA 77 Cb 0.54 0.07 0.13 0.00 0.00 0.00 0.00 17.79 18.53 1c84 h ALA 77 CO 0.08 -1.34 -0.69 1.04 0.00 0.00 0.00 179.25 178.34 1c84 n GLN 78 N -3.75 -7.72 -3.94 0.00 1.13 0.66 -4.90 117.38 98.84 1c84 n GLN 78 Ca 0.20 0.81 -0.13 0.00 -1.94 0.00 0.00 57.00 55.94 1c84 n GLN 78 Cb 1.17 -5.86 -0.14 0.00 0.11 0.00 0.00 30.24 25.52 1c84 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1c84 s ARG 79 N -6.27 0.12 0.04 -1.09 3.52 -0.82 -4.98 118.95 109.48 1c84 s ARG 79 Ca 0.55 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 56.15 1c84 s ARG 79 Cb -0.24 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 32.99 1c84 s ARG 79 CO 0.74 0.02 -0.11 0.45 -0.81 0.00 0.00 175.30 175.58 1c84 s SER 80 N 0.03 1.33 0.01 -2.12 0.15 -1.26 -0.94 113.70 110.90 1c84 s SER 80 Ca -0.00 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.16 1c84 s SER 80 Cb -0.01 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1c84 s SER 80 CO -0.00 -0.06 -0.01 -0.31 1.20 0.00 0.00 173.24 174.06 1c84 s TYR 81 N -1.02 0.19 -0.35 3.44 1.51 -0.08 -4.23 117.35 116.80 1c84 s TYR 81 Ca -0.02 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.47 1c84 s TYR 81 Cb -0.08 -0.14 -0.00 0.00 -0.11 0.00 0.00 41.96 41.62 1c84 s TYR 81 CO 0.01 -0.16 0.50 0.42 -1.11 0.00 0.00 175.55 175.21 1c84 s ILE 82 N -1.15 5.03 -0.02 2.71 1.01 0.87 -0.16 121.20 129.50 1c84 s ILE 82 Ca -0.13 0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 1c84 s ILE 82 Cb -0.08 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1c84 s ILE 82 CO -0.01 -0.21 0.21 -0.76 0.00 0.00 0.00 174.94 174.17 1c84 s LEU 83 N 2.35 4.37 0.11 2.97 1.43 -0.20 0.14 118.68 129.85 1c84 s LEU 83 Ca 0.18 0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 1c84 s LEU 83 Cb -0.16 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.53 1c84 s LEU 83 CO 0.13 0.28 0.39 0.28 0.23 0.00 0.00 176.35 177.66 1c84 s THR 84 N -1.28 0.07 0.88 5.49 -1.32 -0.78 -0.55 115.64 118.16 1c84 s THR 84 Ca 0.26 -0.59 -0.12 0.00 -1.21 0.00 0.00 61.69 60.03 1c84 s THR 84 Cb -0.13 -1.14 0.12 0.00 -1.51 0.00 0.00 72.50 69.84 1c84 s THR 84 CO 0.16 -0.33 1.14 0.00 -2.21 0.00 0.00 174.62 173.38 1c84 s GLN 85 N -3.61 1.39 0.18 7.08 -2.07 -1.09 -3.23 119.66 118.30 1c84 s GLN 85 Ca 0.02 0.32 -0.30 0.00 -1.82 0.00 0.00 55.36 53.58 1c84 s GLN 85 Cb 0.02 -1.87 -0.08 0.00 -1.09 0.00 0.00 33.01 29.99 1c84 s GLN 85 CO -0.11 -2.03 1.16 0.20 -1.32 0.00 0.00 175.29 173.19 1c84 s GLY 86 N -4.07 2.74 0.24 2.60 0.00 0.27 -4.84 107.32 104.25 1c84 s GLY 86 Ca 0.63 0.90 -0.30 0.00 0.00 0.00 0.00 44.72 45.95 1c84 s GLY 86 CO 0.53 1.78 1.15 -1.05 0.00 0.00 0.00 173.10 175.51 1c84 n PRO 87 N 2.45 1.45 -2.23 2.90 -0.02 -1.26 -4.70 135.00 133.60 1c84 n PRO 87 Ca 0.04 0.51 -0.26 0.00 -2.02 0.00 0.00 63.50 61.77 1c84 n PRO 87 Cb 0.45 -1.99 0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1c84 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1c84 s LEU 88 N 0.38 2.90 0.59 2.45 1.43 -1.26 0.14 118.68 125.31 1c84 s LEU 88 Ca 0.65 0.53 0.35 0.00 -1.03 0.00 0.00 54.13 54.63 1c84 s LEU 88 Cb -0.74 -3.22 1.86 0.00 0.03 0.00 0.00 46.19 44.12 1c84 s LEU 88 CO 0.55 -1.48 2.21 -0.65 0.23 0.00 0.00 176.35 177.21 1c84 h PRO 89 N -0.52 0.00 -0.61 1.29 0.11 -1.95 -2.71 132.00 127.60 1c84 h PRO 89 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1c84 h PRO 89 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1c84 h PRO 89 CO 0.61 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.70 1c84 n ASN 90 N -3.44 3.75 0.00 -2.05 6.94 -1.26 -4.50 115.26 114.70 1c84 n ASN 90 Ca -0.02 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1c84 n ASN 90 Cb 0.15 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 1c84 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1c84 n THR 91 N 1.59 0.32 -0.09 5.53 -2.24 -1.03 -4.74 114.28 113.62 1c84 n THR 91 Ca 0.23 -0.40 0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1c84 n THR 91 Cb 0.61 1.01 0.37 0.00 -2.10 0.00 0.00 70.33 70.22 1c84 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c84 h GLY 93 N 0.70 0.38 0.88 0.00 0.00 -1.92 -2.53 103.07 100.59 1c84 h GLY 93 Ca 0.21 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.17 1c84 h GLY 93 CO -0.05 0.37 0.58 0.45 0.00 0.00 0.00 176.54 177.89 1c84 h HIS 94 N -0.04 1.09 -0.27 5.60 -0.00 -1.83 -0.35 115.15 119.35 1c84 h HIS 94 Ca 0.02 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 1c84 h HIS 94 Cb 0.71 -0.36 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 1c84 h HIS 94 CO 0.09 0.63 -0.06 0.35 -0.00 0.00 0.00 177.93 178.94 1c84 h PHE 95 N 1.13 -0.13 -0.13 2.45 3.04 -0.35 -0.60 116.94 122.36 1c84 h PHE 95 Ca 0.36 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 62.16 1c84 h PHE 95 Cb -0.00 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1c84 h PHE 95 CO -0.02 -0.11 -0.63 -1.49 -2.02 0.00 0.00 178.31 174.05 1c84 h TRP 96 N 0.01 0.59 -0.56 0.41 4.06 -1.29 -0.59 115.95 118.58 1c84 h TRP 96 Ca 0.13 -0.23 0.07 0.00 2.06 0.00 0.00 58.89 60.92 1c84 h TRP 96 Cb 0.20 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.19 1c84 h TRP 96 CO -0.26 0.96 0.23 1.49 -3.56 0.00 0.00 178.44 177.30 1c84 h GLU 97 N 0.33 0.42 -0.20 0.49 4.81 -0.93 -0.42 114.58 119.08 1c84 h GLU 97 Ca -0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1c84 h GLU 97 Cb 1.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1c84 h GLU 97 CO 0.11 0.28 0.12 1.98 -0.73 0.00 0.00 179.01 180.77 1c84 h MET 98 N 0.43 0.24 -0.31 1.92 4.05 -0.65 0.01 114.93 120.63 1c84 h MET 98 Ca 0.27 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.74 1c84 h MET 98 Cb 0.28 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 30.96 1c84 h MET 98 CO -0.25 0.16 -0.13 0.28 0.23 0.00 0.00 176.91 177.21 1c84 h VAL 99 N 0.25 0.59 -0.02 -5.77 2.07 -0.79 0.15 116.25 112.73 1c84 h VAL 99 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1c84 h VAL 99 Cb -0.01 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1c84 h VAL 99 CO -0.03 0.00 -0.24 -0.25 0.02 0.00 0.00 177.57 177.07 1c84 h TRP 100 N -0.07 -0.70 -0.46 1.57 2.91 -0.83 0.37 115.95 118.75 1c84 h TRP 100 Ca 0.16 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.16 1c84 h TRP 100 Cb 0.31 0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 1c84 h TRP 100 CO -0.33 -0.25 0.13 0.93 -1.03 0.00 0.00 178.44 177.88 1c84 h GLU 101 N -0.28 0.68 -0.00 2.65 5.08 -0.90 -1.37 114.58 120.43 1c84 h GLU 101 Ca 0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1c84 h GLU 101 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1c84 h GLU 101 CO -0.17 0.61 -0.04 1.04 -1.00 0.00 0.00 179.01 179.45 1c84 n GLN 102 N -4.32 0.47 -3.38 2.33 1.13 0.51 -4.95 117.38 109.17 1c84 n GLN 102 Ca 0.03 -0.06 -0.24 0.00 -1.94 0.00 0.00 57.00 54.79 1c84 n GLN 102 Cb 0.20 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.09 1c84 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1c84 n LYS 103 N -1.22 -5.60 -2.63 -1.09 5.02 0.13 -3.99 118.16 108.77 1c84 n LYS 103 Ca 0.14 0.77 -0.33 0.00 -2.02 0.00 0.00 58.31 56.87 1c84 n LYS 103 Cb 0.26 -5.67 -0.05 0.00 -0.02 0.00 0.00 35.03 29.55 1c84 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c84 s SER 104 N -2.97 6.67 -0.22 4.39 0.01 -0.88 -0.36 113.70 120.33 1c84 s SER 104 Ca 0.46 1.73 0.13 0.00 1.31 0.00 0.00 55.95 59.58 1c84 s SER 104 Cb -0.21 -2.54 -0.22 0.00 0.21 0.00 0.00 66.02 63.25 1c84 s SER 104 CO 0.56 -0.55 -0.03 -1.14 0.41 0.00 0.00 173.24 172.49 1c84 n ARG 105 N -0.97 0.69 -4.37 12.44 0.63 -1.26 -4.87 116.66 118.95 1c84 n ARG 105 Ca 0.08 0.04 -0.29 0.00 -0.92 0.00 0.00 57.85 56.76 1c84 n ARG 105 Cb 0.54 -1.52 -0.12 0.00 0.45 0.00 0.00 32.46 31.80 1c84 n ARG 105 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1c84 s GLY 106 N -5.82 1.62 -0.04 5.14 0.00 -1.26 -0.80 107.32 106.16 1c84 s GLY 106 Ca -0.18 -1.42 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 1c84 s GLY 106 CO 0.75 -1.40 0.01 0.14 0.00 0.00 0.00 173.10 172.60 1c84 s VAL 107 N -1.09 0.19 -0.23 1.40 1.01 -0.18 -2.11 120.40 119.39 1c84 s VAL 107 Ca 0.15 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1c84 s VAL 107 Cb -0.10 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.98 1c84 s VAL 107 CO 0.07 0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 174.58 1c84 s VAL 108 N 1.41 2.83 -0.22 2.92 1.01 0.29 -0.04 120.40 128.60 1c84 s VAL 108 Ca -0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1c84 s VAL 108 Cb -0.13 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1c84 s VAL 108 CO -0.03 0.29 0.05 -0.32 0.00 0.00 0.00 175.10 175.09 1c84 s MET 109 N 1.34 3.70 -0.03 2.72 0.00 0.98 -0.59 119.30 127.42 1c84 s MET 109 Ca 0.02 -0.47 0.15 0.00 0.00 0.00 0.00 55.69 55.40 1c84 s MET 109 Cb -0.16 -3.24 0.47 0.00 0.00 0.00 0.00 34.83 31.90 1c84 s MET 109 CO -0.06 -0.06 1.39 1.28 0.00 0.00 0.00 175.02 177.58 1c84 n LEU 110 N 4.51 3.53 -4.40 4.11 4.77 -0.06 -0.93 117.00 128.53 1c84 n LEU 110 Ca -0.16 -2.15 -0.20 0.00 -0.03 0.00 0.00 56.01 53.47 1c84 n LEU 110 Cb 0.52 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1c84 n LEU 110 CO 0.32 0.81 -0.31 0.54 -1.33 0.00 0.00 177.39 177.41 1c84 s ASN 111 N -1.07 2.23 0.19 -1.43 2.20 -1.25 -4.61 114.94 111.19 1c84 s ASN 111 Ca 0.35 -1.27 0.03 0.00 -0.94 0.00 0.00 52.86 51.03 1c84 s ASN 111 Cb 0.20 -0.06 -0.03 0.00 -2.00 0.00 0.00 41.25 39.36 1c84 s ASN 111 CO 0.21 -0.51 0.32 -0.13 -2.94 0.00 0.00 177.10 174.05 1c84 s ARG 112 N -3.85 3.45 0.25 3.55 0.52 -1.26 -4.84 118.95 116.77 1c84 s ARG 112 Ca 0.32 -0.62 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1c84 s ARG 112 Cb 0.06 -2.92 0.25 0.00 0.52 0.00 0.00 34.95 32.86 1c84 s ARG 112 CO 0.12 0.47 1.92 0.28 0.02 0.00 0.00 175.30 178.12 1c84 h VAL 113 N 1.45 1.26 -3.43 3.52 2.07 -1.93 -3.39 116.25 115.80 1c84 h VAL 113 Ca -0.50 -0.48 -0.66 0.00 0.82 0.00 0.00 66.70 65.88 1c84 h VAL 113 Cb 1.21 -0.20 -0.28 0.00 -1.52 0.00 0.00 31.29 30.50 1c84 h VAL 113 CO 0.66 0.25 -0.71 -0.32 0.02 0.00 0.00 177.57 177.47 1c84 s MET 114 N -6.10 3.35 -0.04 1.57 -2.45 -1.26 0.68 119.30 115.04 1c84 s MET 114 Ca -0.13 -0.65 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1c84 s MET 114 Cb 0.18 -3.05 0.02 0.00 1.25 0.00 0.00 34.83 33.23 1c84 s MET 114 CO 0.82 -0.22 -0.05 -1.21 1.05 0.00 0.00 175.02 175.41 1c84 s GLU 115 N 1.48 0.82 -1.48 4.11 2.02 -0.67 -4.81 118.70 120.17 1c84 s GLU 115 Ca 0.05 -0.12 -0.09 0.00 0.02 0.00 0.00 54.97 54.84 1c84 s GLU 115 Cb -0.15 -0.82 0.06 0.00 0.10 0.00 0.00 34.13 33.33 1c84 s GLU 115 CO -0.03 -0.06 0.78 1.63 0.02 0.00 0.00 175.26 177.60 1c84 n LYS 116 N 3.94 -4.60 0.00 1.61 5.02 -1.26 -1.99 118.16 120.88 1c84 n LYS 116 Ca -0.25 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1c84 n LYS 116 Cb 0.51 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 1c84 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c84 n GLY 117 N -1.67 2.68 3.36 0.72 0.00 -1.26 -4.97 105.19 104.04 1c84 n GLY 117 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1c84 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c84 s SER 118 N -3.69 2.89 -0.51 1.61 0.01 -0.84 -5.09 113.70 108.09 1c84 s SER 118 Ca 0.00 -0.89 -0.24 0.00 1.31 0.00 0.00 55.95 56.14 1c84 s SER 118 Cb 0.00 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.08 1c84 s SER 118 CO 0.00 -0.01 0.88 -0.76 0.41 0.00 0.00 173.24 173.77 1c84 s LEU 119 N -2.77 4.17 0.37 2.44 1.43 -1.26 -1.68 118.68 121.38 1c84 s LEU 119 Ca 0.18 -0.24 0.24 0.00 -1.03 0.00 0.00 54.13 53.28 1c84 s LEU 119 Cb -0.06 -2.91 0.39 0.00 0.03 0.00 0.00 46.19 43.64 1c84 s LEU 119 CO 0.08 -1.10 1.57 0.11 0.23 0.00 0.00 176.35 177.24 1c84 h LYS 120 N 9.17 0.00 -1.36 1.70 1.79 0.02 -3.48 116.57 124.41 1c84 h LYS 120 Ca -0.25 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.35 1c84 h LYS 120 Cb 1.08 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.46 1c84 h LYS 120 CO 1.04 0.00 0.68 0.00 -1.08 0.00 0.00 179.45 180.09 1c84 s ALA 122 N -0.63 2.39 -0.97 0.00 0.00 0.12 -4.75 121.76 117.93 1c84 s ALA 122 Ca 0.03 0.51 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1c84 s ALA 122 Cb -0.02 -3.32 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1c84 s ALA 122 CO -0.05 -1.43 1.21 -1.14 0.00 0.00 0.00 175.76 174.35 1c84 s GLN 123 N -4.24 3.64 0.00 0.00 2.00 -1.26 -4.81 119.66 114.98 1c84 s GLN 123 Ca 0.66 -1.72 0.22 0.00 -2.00 0.00 0.00 55.36 52.53 1c84 s GLN 123 Cb -0.20 -5.01 0.55 0.00 0.80 0.00 0.00 33.01 29.14 1c84 s GLN 123 CO 0.45 -1.85 1.45 2.48 -0.50 0.00 0.00 175.29 177.32 1c84 n TYR 124 N 6.89 0.36 -4.16 1.67 0.18 -1.26 -4.88 117.16 115.95 1c84 n TYR 124 Ca 0.27 -0.18 -0.17 0.00 1.88 0.00 0.00 57.90 59.70 1c84 n TYR 124 Cb 0.49 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.33 1c84 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1c84 s TRP 125 N -1.64 1.14 0.11 -3.48 -2.14 -1.26 -5.07 118.94 106.60 1c84 s TRP 125 Ca 0.35 -0.50 -0.31 0.00 2.66 0.00 0.00 56.10 58.31 1c84 s TRP 125 Cb 0.20 -0.64 -0.10 0.00 -3.10 0.00 0.00 33.47 29.84 1c84 s TRP 125 CO 0.29 0.04 1.75 -1.25 -2.66 0.00 0.00 176.95 175.12 1c84 s PRO 126 N -1.93 4.16 0.04 3.25 0.04 -1.26 -4.91 135.00 134.39 1c84 s PRO 126 Ca -0.01 2.49 0.28 0.00 0.04 0.00 0.00 61.00 63.80 1c84 s PRO 126 Cb -0.09 -3.57 1.12 0.00 0.04 0.00 0.00 34.50 32.01 1c84 s PRO 126 CO 0.02 -0.79 1.87 1.04 0.04 0.00 0.00 177.00 179.18 1c84 n GLN 127 N 5.56 0.05 -3.70 4.56 6.02 -1.26 -4.57 117.38 124.03 1c84 n GLN 127 Ca 0.17 0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 57.06 1c84 n GLN 127 Cb 0.39 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 1c84 n GLN 127 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1c84 s LYS 128 N -3.02 0.62 0.47 -1.09 -2.85 -1.26 -5.05 119.74 107.56 1c84 s LYS 128 Ca 0.13 0.45 0.26 0.00 -1.00 0.00 0.00 55.97 55.81 1c84 s LYS 128 Cb 0.18 0.30 1.06 0.00 -2.06 0.00 0.00 37.83 37.31 1c84 s LYS 128 CO 0.55 -0.11 1.88 1.05 0.10 0.00 0.00 175.35 178.82 1c84 h GLU 129 N 4.86 0.00 0.00 1.78 9.09 -1.90 -2.41 114.58 126.00 1c84 h GLU 129 Ca -0.28 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.12 1c84 h GLU 129 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1c84 h GLU 129 CO 0.26 0.18 -0.07 0.93 0.05 0.00 0.00 179.01 180.36 1c84 h GLU 130 N 0.00 0.00 -2.50 1.06 3.07 -1.97 -3.38 114.58 110.85 1c84 h GLU 130 Ca -0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.20 1c84 h GLU 130 Cb 0.66 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 28.18 1c84 h GLU 130 CO 0.02 0.07 -0.25 1.63 -1.40 0.00 0.00 179.01 179.09 1c84 n LYS 131 N -3.36 2.92 -0.72 2.33 4.76 -0.91 -5.09 118.16 118.10 1c84 n LYS 131 Ca -0.01 -4.62 -0.32 0.00 -2.87 0.00 0.00 58.31 50.49 1c84 n LYS 131 Cb 0.24 -2.33 0.15 0.00 -1.84 0.00 0.00 35.03 31.26 1c84 n LYS 131 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1c84 n GLU 132 N 1.14 -0.40 -4.13 1.97 4.71 -1.26 -4.62 120.64 118.05 1c84 n GLU 132 Ca 0.28 -0.06 -0.35 0.00 -0.01 0.00 0.00 57.16 57.02 1c84 n GLU 132 Cb 0.39 -2.22 -0.08 0.00 -1.01 0.00 0.00 31.44 28.52 1c84 n GLU 132 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1c84 s MET 133 N -4.32 3.18 -0.05 3.49 -1.94 0.36 -5.01 119.30 115.01 1c84 s MET 133 Ca 0.64 -0.32 0.06 0.00 -1.71 0.00 0.00 55.69 54.36 1c84 s MET 133 Cb -0.23 -2.96 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 1c84 s MET 133 CO 0.61 0.72 -0.23 0.42 -0.01 0.00 0.00 175.02 176.53 1c84 s ILE 134 N -1.01 1.90 -0.48 2.53 1.01 -1.26 -0.46 121.20 123.43 1c84 s ILE 134 Ca 0.16 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 1c84 s ILE 134 Cb -0.12 -1.61 0.13 0.00 0.01 0.00 0.00 42.46 40.87 1c84 s ILE 134 CO 0.06 0.53 0.29 -0.36 0.00 0.00 0.00 174.94 175.46 1c84 s PHE 135 N -0.14 3.53 0.10 3.97 0.08 0.11 -4.96 117.98 120.67 1c84 s PHE 135 Ca -0.03 -2.42 -0.30 0.00 0.12 0.00 0.00 56.93 54.30 1c84 s PHE 135 Cb -0.13 -3.26 -0.12 0.00 -0.57 0.00 0.00 43.02 38.94 1c84 s PHE 135 CO 0.03 -0.94 1.62 0.93 -0.10 0.00 0.00 175.22 176.76 1c84 h GLU 136 N 7.84 -0.61 -0.83 0.44 5.08 -1.96 0.89 114.58 125.43 1c84 h GLU 136 Ca -0.11 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1c84 h GLU 136 Cb 1.03 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 1c84 h GLU 136 CO 0.72 -0.41 0.45 0.38 -1.00 0.00 0.00 179.01 179.15 1c84 h ASP 137 N -0.63 0.59 -0.35 1.42 2.03 -1.98 -2.71 116.42 114.78 1c84 h ASP 137 Ca -0.01 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1c84 h ASP 137 Cb 0.59 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1c84 h ASP 137 CO -0.08 0.30 0.00 0.35 -1.03 0.00 0.00 179.24 178.77 1c84 n THR 138 N -4.81 0.66 -3.12 1.15 -2.24 -1.17 -5.01 114.28 99.75 1c84 n THR 138 Ca 0.15 -0.83 -0.14 0.00 -2.27 0.00 0.00 64.05 60.96 1c84 n THR 138 Cb 0.35 0.79 0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1c84 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1c84 n ASN 139 N 0.99 -3.27 -4.14 3.42 4.05 0.30 -4.89 115.26 111.72 1c84 n ASN 139 Ca 0.15 -0.42 -0.25 0.00 0.45 0.00 0.00 54.58 54.52 1c84 n ASN 139 Cb 0.48 -3.75 -0.15 0.00 1.23 0.00 0.00 39.78 37.59 1c84 n ASN 139 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1c84 s LEU 140 N -5.24 1.99 -0.02 1.20 1.43 -0.85 0.02 118.68 117.22 1c84 s LEU 140 Ca 0.17 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1c84 s LEU 140 Cb -0.07 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1c84 s LEU 140 CO 0.52 0.19 0.26 -0.75 0.23 0.00 0.00 176.35 176.79 1c84 s LYS 141 N -0.26 3.59 -0.04 1.70 2.20 0.03 0.07 119.74 127.03 1c84 s LYS 141 Ca 0.03 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 1c84 s LYS 141 Cb -0.08 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 1c84 s LYS 141 CO 0.00 0.68 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.47 1c84 s LEU 142 N -1.54 1.25 -0.04 5.43 2.96 0.39 -0.38 118.68 126.74 1c84 s LEU 142 Ca 0.25 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1c84 s LEU 142 Cb -0.13 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 1c84 s LEU 142 CO 0.13 -0.07 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.00 1c84 s THR 143 N 0.98 1.65 0.02 3.68 2.01 -0.59 -0.49 115.64 122.91 1c84 s THR 143 Ca -0.10 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 1c84 s THR 143 Cb -0.14 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 1c84 s THR 143 CO -0.01 0.47 1.48 -0.22 -0.69 0.00 0.00 174.62 175.65 1c84 s LEU 144 N -0.14 4.33 -0.19 4.42 2.96 -1.26 -0.77 118.68 128.03 1c84 s LEU 144 Ca -0.01 2.23 0.16 0.00 -0.22 0.00 0.00 54.13 56.29 1c84 s LEU 144 Cb -0.11 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 1c84 s LEU 144 CO 0.02 -0.77 0.06 -0.38 -1.32 0.00 0.00 176.35 173.95 1c84 n ILE 145 N 4.70 1.32 0.00 6.68 2.08 0.12 -4.44 119.36 129.82 1c84 n ILE 145 Ca 0.14 -0.80 0.00 0.00 0.56 0.00 0.00 62.75 62.65 1c84 n ILE 145 Cb 0.43 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 1c84 n ILE 145 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1c84 n SER 146 N -2.73 0.00 -4.10 4.38 3.41 -1.02 -4.96 113.62 108.59 1c84 n SER 146 Ca -0.32 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.20 1c84 n SER 146 Cb 1.12 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.97 1c84 n SER 146 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1c84 s GLU 147 N -2.00 0.64 -0.31 4.33 -1.05 -1.26 -0.60 118.70 118.45 1c84 s GLU 147 Ca 0.00 -1.14 0.01 0.00 -0.15 0.00 0.00 54.97 53.69 1c84 s GLU 147 Cb 0.00 0.01 0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1c84 s GLU 147 CO 0.00 -0.06 0.05 0.34 0.95 0.00 0.00 175.26 176.55 1c84 s ASP 148 N -2.65 4.28 -0.16 0.83 2.15 -0.08 -4.97 116.67 116.07 1c84 s ASP 148 Ca 0.04 -1.76 -0.21 0.00 0.43 0.00 0.00 52.55 51.05 1c84 s ASP 148 Cb 0.03 -1.21 -0.03 0.00 -0.30 0.00 0.00 42.92 41.41 1c84 s ASP 148 CO -0.06 -0.37 0.64 -0.63 -0.17 0.00 0.00 175.17 174.58 1c84 s ILE 149 N 1.30 5.03 0.31 4.11 1.01 -1.26 -1.27 121.20 130.44 1c84 s ILE 149 Ca 0.08 1.26 0.09 0.00 0.00 0.00 0.00 60.65 62.07 1c84 s ILE 149 Cb -0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1c84 s ILE 149 CO -0.15 0.16 0.07 -0.54 0.00 0.00 0.00 174.94 174.48 1c84 s LYS 150 N 1.52 2.31 0.24 2.79 -0.14 0.48 -5.00 119.74 121.94 1c84 s LYS 150 Ca 0.31 -1.53 -0.07 0.00 -1.36 0.00 0.00 55.97 53.32 1c84 s LYS 150 Cb -0.16 -2.14 0.41 0.00 -1.68 0.00 0.00 37.83 34.26 1c84 s LYS 150 CO 0.12 0.21 1.66 1.79 -0.76 0.00 0.00 175.35 178.37 1c84 h THR 151 N 1.70 0.43 -0.01 2.17 1.35 -0.71 -3.21 112.91 114.63 1c84 h THR 151 Ca -0.44 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1c84 h THR 151 Cb 1.25 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1c84 h THR 151 CO 0.63 0.03 -0.02 0.00 -0.25 0.00 0.00 175.52 175.91 1c84 n TYR 152 N -5.27 0.00 -3.50 4.73 0.18 -1.26 -4.97 117.16 107.07 1c84 n TYR 152 Ca 0.13 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.80 1c84 n TYR 152 Cb 0.44 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.37 1c84 n TYR 152 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 1c84 s TYR 153 N -0.80 -0.44 -0.04 -3.48 1.13 -1.21 -0.87 117.35 111.63 1c84 s TYR 153 Ca 0.10 0.46 0.03 0.00 -1.41 0.00 0.00 57.07 56.25 1c84 s TYR 153 Cb 0.07 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.44 1c84 s TYR 153 CO 0.12 -0.59 -0.12 0.99 -2.51 0.00 0.00 175.55 173.45 1c84 s THR 154 N -2.61 1.01 -0.11 -3.49 2.01 -0.69 -0.39 115.64 111.37 1c84 s THR 154 Ca 0.00 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 1c84 s THR 154 Cb -0.01 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1c84 s THR 154 CO -0.05 0.31 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.49 1c84 s VAL 155 N 0.23 4.23 -0.02 3.82 1.01 -0.40 -2.17 120.40 127.10 1c84 s VAL 155 Ca -0.05 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1c84 s VAL 155 Cb -0.11 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1c84 s VAL 155 CO 0.01 0.57 -0.17 -0.13 0.00 0.00 0.00 175.10 175.38 1c84 s ARG 156 N -0.49 1.47 -0.30 2.72 0.52 -0.30 -0.91 118.95 121.66 1c84 s ARG 156 Ca 0.08 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 1c84 s ARG 156 Cb -0.12 -1.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.96 1c84 s ARG 156 CO 0.02 0.32 0.47 -1.14 0.02 0.00 0.00 175.30 174.99 1c84 s GLN 157 N -0.24 3.86 -0.10 3.54 0.74 0.23 -1.36 119.66 126.34 1c84 s GLN 157 Ca 0.03 0.02 -0.02 0.00 0.05 0.00 0.00 55.36 55.45 1c84 s GLN 157 Cb -0.08 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 1c84 s GLN 157 CO 0.00 -0.45 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.75 1c84 s LEU 158 N 2.26 3.39 -0.10 3.68 1.43 -0.10 0.15 118.68 129.39 1c84 s LEU 158 Ca 0.18 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 1c84 s LEU 158 Cb -0.16 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1c84 s LEU 158 CO 0.11 0.32 0.39 -0.70 0.23 0.00 0.00 176.35 176.70 1c84 s GLU 159 N -0.56 4.18 -0.14 1.70 2.12 0.06 -1.28 118.70 124.78 1c84 s GLU 159 Ca 0.09 0.31 -0.00 0.00 0.36 0.00 0.00 54.97 55.73 1c84 s GLU 159 Cb -0.12 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1c84 s GLU 159 CO 0.02 0.34 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.78 1c84 s LEU 160 N 0.08 2.66 -0.16 2.70 2.96 0.27 -1.54 118.68 125.65 1c84 s LEU 160 Ca 0.22 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1c84 s LEU 160 Cb -0.15 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1c84 s LEU 160 CO 0.09 0.14 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.38 1c84 s GLU 161 N 0.50 3.12 -0.70 1.98 2.12 0.48 0.38 118.70 126.57 1c84 s GLU 161 Ca -0.09 -0.79 -0.27 0.00 0.36 0.00 0.00 54.97 54.18 1c84 s GLU 161 Cb -0.16 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.65 1c84 s GLU 161 CO 0.04 -0.07 1.45 1.21 -0.54 0.00 0.00 175.26 177.35 1c84 s ASN 162 N 1.01 5.91 0.58 -1.70 3.84 0.09 -0.79 114.94 123.88 1c84 s ASN 162 Ca -0.02 -0.21 0.28 0.00 0.21 0.00 0.00 52.86 53.13 1c84 s ASN 162 Cb -0.15 -2.55 1.61 0.00 -0.55 0.00 0.00 41.25 39.61 1c84 s ASN 162 CO -0.04 -1.99 2.07 -0.07 -2.79 0.00 0.00 177.10 174.27 1c84 h LEU 163 N 14.00 0.00 -0.21 3.21 3.38 -0.71 0.68 115.31 135.67 1c84 h LEU 163 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1c84 h LEU 163 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1c84 h LEU 163 CO 1.26 0.00 -0.12 0.74 0.09 0.00 0.00 178.44 180.41 1c84 h THR 164 N 0.00 1.31 -0.00 0.22 2.02 -1.89 -3.16 112.91 111.41 1c84 h THR 164 Ca 0.11 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1c84 h THR 164 Cb 0.59 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1c84 h THR 164 CO -0.00 0.37 -0.74 0.35 0.37 0.00 0.00 175.52 175.87 1c84 n THR 165 N -4.52 0.00 -2.92 3.16 -2.24 -0.93 -4.97 114.28 101.85 1c84 n THR 165 Ca -0.05 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1c84 n THR 165 Cb 0.35 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.44 1c84 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c84 n GLN 166 N -1.11 -2.65 -3.07 -0.78 6.02 0.23 -4.98 117.38 111.05 1c84 n GLN 166 Ca 0.06 0.28 -0.33 0.00 -0.01 0.00 0.00 57.00 57.00 1c84 n GLN 166 Cb 0.36 -4.86 -0.06 0.00 1.02 0.00 0.00 30.24 26.70 1c84 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1c84 s GLU 167 N -5.50 4.10 -0.05 -1.09 2.12 -1.24 -4.89 118.70 112.15 1c84 s GLU 167 Ca 0.19 0.80 0.05 0.00 0.36 0.00 0.00 54.97 56.37 1c84 s GLU 167 Cb -0.11 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 1c84 s GLU 167 CO 0.23 0.18 -0.20 0.99 -0.54 0.00 0.00 175.26 175.92 1c84 s THR 168 N -1.91 1.68 0.07 -1.70 2.01 -1.26 -0.73 115.64 113.79 1c84 s THR 168 Ca 0.53 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1c84 s THR 168 Cb -0.12 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1c84 s THR 168 CO 0.18 0.47 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.34 1c84 s ARG 169 N -0.02 0.72 -0.19 4.92 0.52 0.16 -4.98 118.95 120.07 1c84 s ARG 169 Ca -0.04 -0.94 -0.16 0.00 -0.52 0.00 0.00 55.73 54.07 1c84 s ARG 169 Cb -0.13 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.75 1c84 s ARG 169 CO 0.03 0.11 0.41 -2.00 0.02 0.00 0.00 175.30 173.87 1c84 s GLU 170 N -1.96 4.19 -0.07 3.54 2.12 -1.26 -0.56 118.70 124.70 1c84 s GLU 170 Ca -0.03 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.56 1c84 s GLU 170 Cb -0.08 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 1c84 s GLU 170 CO 0.01 -0.02 -0.16 0.42 -0.54 0.00 0.00 175.26 174.97 1c84 s ILE 171 N 1.25 2.88 -0.08 -3.70 -1.09 -0.40 -4.79 121.20 115.27 1c84 s ILE 171 Ca 0.20 -0.77 -0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1c84 s ILE 171 Cb -0.15 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1c84 s ILE 171 CO 0.08 0.57 0.06 -0.76 -1.23 0.00 0.00 174.94 173.66 1c84 s LEU 172 N -0.35 3.89 -0.20 2.97 1.43 0.02 -0.93 118.68 125.52 1c84 s LEU 172 Ca 0.03 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1c84 s LEU 172 Cb -0.12 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.16 1c84 s LEU 172 CO 0.02 0.37 -0.07 -2.28 0.23 0.00 0.00 176.35 174.62 1c84 s HIS 173 N -0.99 2.15 -0.34 0.29 2.46 -0.46 -1.01 115.29 117.39 1c84 s HIS 173 Ca 0.16 -1.44 -0.10 0.00 0.47 0.00 0.00 55.06 54.14 1c84 s HIS 173 Cb -0.12 -1.51 0.01 0.00 -0.13 0.00 0.00 32.58 30.83 1c84 s HIS 173 CO 0.05 -0.71 0.17 -0.06 -2.47 0.00 0.00 174.74 171.73 1c84 s PHE 174 N 1.48 3.21 -0.41 3.88 0.40 0.94 -1.15 117.98 126.33 1c84 s PHE 174 Ca -0.02 -0.76 -0.06 0.00 -0.60 0.00 0.00 56.93 55.49 1c84 s PHE 174 Cb -0.16 -2.39 0.10 0.00 0.51 0.00 0.00 43.02 41.07 1c84 s PHE 174 CO -0.08 -0.55 0.23 -1.58 0.70 0.00 0.00 175.22 173.95 1c84 s HIS 175 N 1.58 3.44 -0.08 0.36 2.46 -0.92 -0.02 115.29 122.12 1c84 s HIS 175 Ca 0.03 -1.96 -0.30 0.00 0.47 0.00 0.00 55.06 53.31 1c84 s HIS 175 Cb -0.18 -3.09 -0.02 0.00 -0.13 0.00 0.00 32.58 29.17 1c84 s HIS 175 CO 0.06 -0.92 1.00 -0.47 -2.47 0.00 0.00 174.74 171.94 1c84 s TYR 176 N 1.29 3.55 -0.21 3.88 6.14 -0.11 -1.70 117.35 130.20 1c84 s TYR 176 Ca 0.05 1.62 0.02 0.00 0.64 0.00 0.00 57.07 59.40 1c84 s TYR 176 Cb -0.23 -3.17 0.05 0.00 0.42 0.00 0.00 41.96 39.03 1c84 s TYR 176 CO -0.01 -0.17 0.92 0.25 0.64 0.00 0.00 175.55 177.19 1c84 n THR 177 N 4.37 0.73 -2.27 4.34 -2.24 -0.05 -3.85 114.28 115.31 1c84 n THR 177 Ca 0.08 -0.87 0.01 0.00 -2.27 0.00 0.00 64.05 61.00 1c84 n THR 177 Cb 0.49 0.64 0.08 0.00 -2.10 0.00 0.00 70.33 69.44 1c84 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1c84 n THR 178 N -0.19 1.11 -3.65 4.28 -2.24 -1.22 -4.90 114.28 107.46 1c84 n THR 178 Ca 0.02 -2.31 -0.38 0.00 -2.27 0.00 0.00 64.05 59.10 1c84 n THR 178 Cb 0.22 0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 1c84 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1c84 s TRP 179 N -1.97 3.49 0.28 4.78 -0.11 -1.26 -4.46 118.94 119.69 1c84 s TRP 179 Ca 0.36 -2.41 -0.30 0.00 1.22 0.00 0.00 56.10 54.97 1c84 s TRP 179 Cb 0.37 -3.33 -0.13 0.00 -1.50 0.00 0.00 33.47 28.88 1c84 s TRP 179 CO -0.10 -0.92 1.36 -2.30 -4.62 0.00 0.00 176.95 170.38 1c84 n PRO 180 N 4.04 2.08 -1.58 5.86 -0.02 -1.26 -4.74 135.00 139.38 1c84 n PRO 180 Ca 0.03 0.73 -0.50 0.00 -2.02 0.00 0.00 63.50 61.74 1c84 n PRO 180 Cb 0.40 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1c84 n PRO 180 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1c84 n ASP 181 N 1.63 1.46 -1.60 2.55 -0.08 -1.26 -0.06 116.55 119.19 1c84 n ASP 181 Ca 0.09 1.13 -0.19 0.00 -1.51 0.00 0.00 54.79 54.31 1c84 n ASP 181 Cb 0.33 -1.20 -0.08 0.00 2.34 0.00 0.00 41.12 42.52 1c84 n ASP 181 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1c84 n PHE 182 N 1.99 -0.16 -4.34 -0.67 3.72 -1.26 -4.96 117.46 111.78 1c84 n PHE 182 Ca 0.17 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.38 1c84 n PHE 182 Cb 0.22 -3.27 -0.03 0.00 -0.94 0.00 0.00 39.48 35.46 1c84 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c84 n GLY 183 N -0.39 3.66 3.62 1.37 0.00 0.91 -4.91 105.19 109.46 1c84 n GLY 183 Ca -0.19 -2.30 -0.24 0.00 0.00 0.00 0.00 46.02 43.29 1c84 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c84 s VAL 184 N -2.02 2.80 0.89 1.61 -7.23 -1.26 -4.77 120.40 110.41 1c84 s VAL 184 Ca 0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1c84 s VAL 184 Cb -0.00 -2.75 0.13 0.00 0.56 0.00 0.00 36.38 34.31 1c84 s VAL 184 CO 0.02 -0.26 1.11 -2.16 -0.31 0.00 0.00 175.10 173.49 1c84 s PRO 185 N -3.69 1.28 0.47 4.82 0.05 -1.26 -4.42 135.00 132.25 1c84 s PRO 185 Ca 0.34 1.24 0.22 0.00 0.05 0.00 0.00 61.00 62.84 1c84 s PRO 185 Cb -0.02 -1.78 1.24 0.00 0.05 0.00 0.00 34.50 33.99 1c84 s PRO 185 CO 0.19 -2.35 1.91 0.93 0.05 0.00 0.00 177.00 177.73 1c84 h GLU 186 N -1.65 0.22 -2.58 4.56 3.07 -2.00 -3.44 114.58 112.76 1c84 h GLU 186 Ca -0.46 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.45 1c84 h GLU 186 Cb 1.26 -0.05 -0.13 0.00 -0.84 0.00 0.00 28.75 28.99 1c84 h GLU 186 CO 0.48 0.14 0.38 -1.54 -1.40 0.00 0.00 179.01 177.07 1c84 s SER 187 N -5.85 -0.43 0.55 1.42 1.04 -1.26 -5.00 113.70 104.18 1c84 s SER 187 Ca -0.07 -0.05 0.23 0.00 0.48 0.00 0.00 55.95 56.54 1c84 s SER 187 Cb 0.21 0.49 1.48 0.00 0.10 0.00 0.00 66.02 68.30 1c84 s SER 187 CO 0.76 -0.80 2.13 -0.65 0.98 0.00 0.00 173.24 175.67 1c84 h PRO 188 N 2.00 0.00 -0.56 4.02 0.11 -1.94 -2.81 132.00 132.82 1c84 h PRO 188 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 1c84 h PRO 188 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1c84 h PRO 188 CO 0.33 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.07 1c84 h ALA 189 N 1.90 0.85 -0.43 -0.75 0.00 -1.94 -1.77 119.26 117.12 1c84 h ALA 189 Ca 0.07 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1c84 h ALA 189 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1c84 h ALA 189 CO -0.00 0.66 -0.22 0.77 0.00 0.00 0.00 179.25 180.46 1c84 h SER 190 N 0.92 0.93 0.05 0.00 0.02 -1.78 0.12 113.55 113.80 1c84 h SER 190 Ca 0.16 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1c84 h SER 190 Cb 0.60 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1c84 h SER 190 CO 0.04 1.13 -0.02 0.15 -1.14 0.00 0.00 176.83 176.99 1c84 h PHE 191 N 0.73 -0.06 -0.72 3.45 3.57 -1.47 0.43 116.94 122.87 1c84 h PHE 191 Ca 0.09 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1c84 h PHE 191 Cb 0.79 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1c84 h PHE 191 CO 0.06 0.26 0.42 -0.07 -2.23 0.00 0.00 178.31 176.75 1c84 h LEU 192 N -0.38 0.88 0.37 0.59 3.38 -1.33 0.63 115.31 119.45 1c84 h LEU 192 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1c84 h LEU 192 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1c84 h LEU 192 CO 0.01 0.70 -0.36 -1.13 0.09 0.00 0.00 178.44 177.75 1c84 h ASN 193 N 0.99 -0.97 -0.51 -0.43 -1.24 -0.71 -0.40 115.58 112.31 1c84 h ASN 193 Ca 0.26 0.08 0.10 0.00 0.71 0.00 0.00 56.30 57.45 1c84 h ASN 193 Cb -0.01 0.32 -0.10 0.00 0.73 0.00 0.00 38.32 39.27 1c84 h ASN 193 CO -0.05 -0.50 -0.17 0.15 -1.29 0.00 0.00 177.43 175.57 1c84 h PHE 194 N -0.75 -0.41 -0.81 0.67 3.57 -0.47 -0.88 116.94 117.86 1c84 h PHE 194 Ca -0.03 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1c84 h PHE 194 Cb 0.67 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 1c84 h PHE 194 CO -0.20 -0.26 0.51 1.25 -2.23 0.00 0.00 178.31 177.37 1c84 h LEU 195 N -0.05 0.81 -0.51 0.59 6.46 0.67 -1.79 115.31 121.48 1c84 h LEU 195 Ca 0.24 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.85 1c84 h LEU 195 Cb 0.43 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1c84 h LEU 195 CO -0.56 0.54 -0.70 -0.26 -0.62 0.00 0.00 178.44 176.85 1c84 h PHE 196 N 0.95 0.33 -0.66 1.25 -1.00 -0.83 0.48 116.94 117.47 1c84 h PHE 196 Ca 0.34 -0.15 0.09 0.00 2.81 0.00 0.00 57.97 61.06 1c84 h PHE 196 Cb 0.10 -0.05 -0.07 0.00 3.61 0.00 0.00 35.95 39.54 1c84 h PHE 196 CO -0.03 0.86 0.30 0.87 -1.61 0.00 0.00 178.31 178.70 1c84 h LYS 197 N 0.17 0.52 0.22 1.51 1.79 -0.72 -0.47 116.57 119.59 1c84 h LYS 197 Ca -0.02 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1c84 h LYS 197 Cb 1.25 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1c84 h LYS 197 CO 0.11 0.34 -0.10 0.28 -1.08 0.00 0.00 179.45 179.00 1c84 h VAL 198 N 0.53 0.81 -0.26 0.50 2.07 -0.65 -2.37 116.25 116.88 1c84 h VAL 198 Ca 0.32 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.78 1c84 h VAL 198 Cb 0.34 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1c84 h VAL 198 CO -0.27 0.03 -0.31 0.03 0.02 0.00 0.00 177.57 177.07 1c84 h ARG 199 N -0.35 -0.31 -0.99 1.57 3.08 -0.73 -1.32 114.38 115.34 1c84 h ARG 199 Ca -0.03 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.30 1c84 h ARG 199 Cb 0.27 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 1c84 h ARG 199 CO 0.05 -0.20 0.67 0.93 -1.07 0.00 0.00 179.97 180.35 1c84 h GLU 200 N -0.32 0.22 0.00 0.04 5.08 -1.08 -1.03 114.58 117.50 1c84 h GLU 200 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1c84 h GLU 200 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1c84 h GLU 200 CO -0.43 0.15 0.00 -1.13 -1.00 0.00 0.00 179.01 176.59 1c84 n SER 201 N -4.43 0.00 0.00 1.42 3.41 -0.50 -4.84 113.62 108.69 1c84 n SER 201 Ca 0.22 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1c84 n SER 201 Cb 0.91 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1c84 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c84 n GLY 202 N 0.28 1.61 0.05 5.00 0.00 -0.39 -4.93 105.19 106.81 1c84 n GLY 202 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1c84 n GLY 202 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c84 n SER 203 N 0.00 0.41 -1.63 1.61 7.64 -1.21 -2.53 113.62 117.91 1c84 n SER 203 Ca 0.00 0.47 0.09 0.00 1.01 0.00 0.00 58.87 60.44 1c84 n SER 203 Cb 0.00 -0.54 0.36 0.00 -1.01 0.00 0.00 64.21 63.02 1c84 n SER 203 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1c84 n LEU 204 N -1.85 4.84 -4.73 -3.43 4.77 -1.26 -4.14 117.00 111.19 1c84 n LEU 204 Ca 0.06 -2.44 -0.30 0.00 -0.03 0.00 0.00 56.01 53.30 1c84 n LEU 204 Cb 0.38 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 1c84 n LEU 204 CO 0.29 0.76 -0.30 -0.44 -1.33 0.00 0.00 177.39 176.38 1c84 s SER 205 N -0.86 5.29 0.00 -1.43 0.01 -1.05 -5.00 113.70 110.66 1c84 s SER 205 Ca 0.51 -0.10 0.28 0.00 1.31 0.00 0.00 55.95 57.95 1c84 s SER 205 Cb 0.34 -1.34 1.61 0.00 0.21 0.00 0.00 66.02 66.83 1c84 s SER 205 CO 0.23 0.17 2.04 -0.81 0.41 0.00 0.00 173.24 175.28 1c84 n PRO 206 N 0.46 1.10 0.00 12.44 -0.04 -1.26 -1.53 135.00 146.16 1c84 n PRO 206 Ca -0.10 -0.14 0.15 0.00 -0.04 0.00 0.00 63.50 63.37 1c84 n PRO 206 Cb 0.52 -1.45 0.69 0.00 -0.04 0.00 0.00 33.50 33.22 1c84 n PRO 206 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1c84 n GLU 207 N -0.78 0.77 -4.14 0.54 0.00 -1.26 -4.87 120.64 110.90 1c84 n GLU 207 Ca 0.21 -0.20 -0.22 0.00 0.00 0.00 0.00 57.16 56.95 1c84 n GLU 207 Cb 0.13 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.03 1c84 n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1c84 s HIS 208 N -2.37 3.06 1.40 -1.84 3.76 -0.59 -5.12 115.29 113.60 1c84 s HIS 208 Ca 0.33 -0.12 -0.23 0.00 -0.15 0.00 0.00 55.06 54.89 1c84 s HIS 208 Cb 0.21 -1.38 0.36 0.00 1.11 0.00 0.00 32.58 32.87 1c84 s HIS 208 CO 0.44 0.53 0.97 0.20 -0.85 0.00 0.00 174.74 176.03 1c84 s GLY 209 N -3.76 1.45 0.33 -2.22 0.00 0.51 -4.90 107.32 98.74 1c84 s GLY 209 Ca 0.32 -0.92 -0.28 0.00 0.00 0.00 0.00 44.72 43.85 1c84 s GLY 209 CO 0.24 0.09 1.22 -4.14 0.00 0.00 0.00 173.10 170.51 1c84 s PRO 210 N -5.22 4.36 0.28 2.90 0.02 -1.26 -4.46 135.00 131.62 1c84 s PRO 210 Ca 0.69 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 63.44 1c84 s PRO 210 Cb -0.11 -3.01 -0.14 0.00 0.02 0.00 0.00 34.50 31.26 1c84 s PRO 210 CO 0.57 -0.11 1.19 1.55 -0.33 0.00 0.00 177.00 179.87 1c84 n VAL 211 N 0.73 1.66 -3.01 3.83 3.14 -1.26 -4.54 118.33 118.88 1c84 n VAL 211 Ca 0.01 -0.42 -0.42 0.00 -2.96 0.00 0.00 64.34 60.55 1c84 n VAL 211 Cb 0.44 -1.25 -0.06 0.00 -1.06 0.00 0.00 33.84 31.91 1c84 n VAL 211 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1c84 s VAL 212 N -0.77 4.80 -0.06 1.55 1.01 -0.90 -0.09 120.40 125.94 1c84 s VAL 212 Ca 0.61 0.79 0.02 0.00 0.00 0.00 0.00 61.98 63.41 1c84 s VAL 212 Cb -0.67 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 31.53 1c84 s VAL 212 CO 0.58 -0.37 -0.11 -0.69 0.00 0.00 0.00 175.10 174.50 1c84 s VAL 213 N 2.94 3.33 -0.03 2.92 1.01 0.12 -0.54 120.40 130.15 1c84 s VAL 213 Ca 0.29 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1c84 s VAL 213 Cb -0.14 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1c84 s VAL 213 CO 0.16 0.59 0.25 -1.38 0.00 0.00 0.00 175.10 174.72 1c84 s HIS 214 N -0.72 -0.14 0.00 5.22 -3.43 0.24 -1.86 115.29 114.60 1c84 s HIS 214 Ca 0.11 0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.63 1c84 s HIS 214 Cb -0.11 0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 1c84 s HIS 214 CO 0.01 -0.30 0.00 0.00 -2.00 0.00 0.00 174.74 172.45 1c84 h SER 216 N 0.00 -0.37 1.21 0.00 0.87 -1.89 -0.83 113.55 112.54 1c84 h SER 216 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1c84 h SER 216 Cb 0.00 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1c84 h SER 216 CO 0.00 0.02 -0.65 0.00 -0.53 0.00 0.00 176.83 175.67 1c84 h ALA 217 N -0.35 0.65 0.00 6.23 0.00 -1.89 0.77 119.26 124.66 1c84 h ALA 217 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1c84 h ALA 217 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1c84 h ALA 217 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1c84 n GLY 218 N 1.20 0.54 1.92 0.00 0.00 -1.20 -3.80 105.19 103.86 1c84 n GLY 218 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1c84 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1c84 n ILE 219 N -3.31 0.05 0.00 -0.61 -5.35 -1.26 -4.42 119.36 104.46 1c84 n ILE 219 Ca 0.00 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1c84 n ILE 219 Cb 0.26 -0.58 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 1c84 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c84 n GLY 220 N 1.64 -1.69 0.25 3.28 0.00 -1.26 -1.26 105.19 106.15 1c84 n GLY 220 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1c84 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c84 h ARG 221 N 0.00 0.23 -0.48 1.61 3.08 -1.95 -1.89 114.38 114.99 1c84 h ARG 221 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1c84 h ARG 221 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1c84 h ARG 221 CO 0.00 0.15 0.17 0.77 -1.07 0.00 0.00 179.97 179.99 1c84 h SER 222 N 0.24 0.68 -0.57 7.04 0.02 -1.88 -1.58 113.55 117.50 1c84 h SER 222 Ca 0.36 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1c84 h SER 222 Cb 0.58 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1c84 h SER 222 CO -0.47 0.69 0.28 1.23 -1.14 0.00 0.00 176.83 177.42 1c84 h GLY 223 N 0.64 0.81 0.55 -3.77 0.00 -0.88 -1.55 103.07 98.87 1c84 h GLY 223 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1c84 h GLY 223 CO -0.01 0.09 -0.07 -0.84 0.00 0.00 0.00 176.54 175.71 1c84 h THR 224 N 0.53 0.74 -0.19 4.70 2.02 -1.14 0.54 112.91 120.11 1c84 h THR 224 Ca 0.26 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1c84 h THR 224 Cb 0.20 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 1c84 h THR 224 CO -0.20 0.00 -0.33 0.15 0.37 0.00 0.00 175.52 175.51 1c84 h PHE 225 N -0.04 -0.93 -0.18 3.16 3.57 -0.95 -2.23 116.94 119.34 1c84 h PHE 225 Ca 0.10 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1c84 h PHE 225 Cb 0.19 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1c84 h PHE 225 CO -0.23 -0.40 -0.20 0.00 -2.23 0.00 0.00 178.31 175.25 1c84 h LEU 227 N 0.11 -0.54 -0.21 0.00 5.85 0.08 -1.07 115.31 119.54 1c84 h LEU 227 Ca 0.03 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1c84 h LEU 227 Cb 0.74 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1c84 h LEU 227 CO 0.05 -0.20 0.09 0.00 -0.34 0.00 0.00 178.44 178.03 1c84 h ALA 228 N 1.00 0.25 -0.50 1.25 0.00 -1.36 -1.23 119.26 118.66 1c84 h ALA 228 Ca 0.14 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1c84 h ALA 228 Cb 0.36 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1c84 h ALA 228 CO -0.34 -0.33 0.17 0.22 0.00 0.00 0.00 179.25 178.97 1c84 h ASP 229 N 0.20 0.16 -0.35 0.00 3.58 -0.45 -1.56 116.42 117.99 1c84 h ASP 229 Ca 0.09 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 1c84 h ASP 229 Cb 0.04 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1c84 h ASP 229 CO -0.08 0.12 -0.26 0.74 -2.88 0.00 0.00 179.24 176.87 1c84 h THR 230 N 0.34 1.29 -0.94 2.25 2.02 -1.17 0.14 112.91 116.84 1c84 h THR 230 Ca 0.24 -1.42 0.07 0.00 0.77 0.00 0.00 66.41 66.07 1c84 h THR 230 Cb 0.27 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1c84 h THR 230 CO -0.26 0.47 0.59 0.00 0.37 0.00 0.00 175.52 176.69 1c84 h LEU 232 N 1.07 0.46 -0.52 0.00 3.38 -1.03 -1.10 115.31 117.57 1c84 h LEU 232 Ca 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1c84 h LEU 232 Cb 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1c84 h LEU 232 CO -0.18 0.84 0.31 0.25 0.09 0.00 0.00 178.44 179.75 1c84 h LEU 233 N 0.36 0.64 -0.13 1.67 5.85 -0.06 -0.53 115.31 123.10 1c84 h LEU 233 Ca 0.03 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1c84 h LEU 233 Cb 0.91 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1c84 h LEU 233 CO 0.08 0.52 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.58 1c84 h LEU 234 N 0.70 0.26 -1.26 2.25 3.38 -0.57 -0.53 115.31 119.54 1c84 h LEU 234 Ca 0.19 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1c84 h LEU 234 Cb 0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1c84 h LEU 234 CO -0.03 0.59 0.27 0.00 0.09 0.00 0.00 178.44 179.36 1c84 h MET 235 N -0.08 0.78 -0.87 1.13 -0.00 -1.15 -2.17 114.93 112.57 1c84 h MET 235 Ca 0.03 -0.09 0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1c84 h MET 235 Cb 0.49 -0.15 -0.04 0.00 -0.00 0.00 0.00 31.60 31.89 1c84 h MET 235 CO 0.02 0.60 0.58 0.22 -0.00 0.00 0.00 176.91 178.33 1c84 h ASP 236 N 0.78 1.00 0.50 -0.10 3.58 -0.76 1.04 116.42 122.47 1c84 h ASP 236 Ca 0.19 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 1c84 h ASP 236 Cb 0.08 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1c84 h ASP 236 CO -0.03 0.73 -0.34 0.07 -2.88 0.00 0.00 179.24 176.79 1c84 h LYS 237 N 1.19 0.00 -0.00 0.28 2.10 -0.43 -3.08 116.57 116.62 1c84 h LYS 237 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1c84 h LYS 237 Cb -0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.19 1c84 h LYS 237 CO -0.07 0.34 -0.48 2.89 -2.00 0.00 0.00 179.45 180.13 1c84 n ARG 238 N -3.86 2.85 -2.76 0.07 1.85 -1.03 -4.94 116.66 108.85 1c84 n ARG 238 Ca -0.01 -0.16 -0.18 0.00 -1.00 0.00 0.00 57.85 56.49 1c84 n ARG 238 Cb 0.41 -1.08 0.00 0.00 -1.05 0.00 0.00 32.46 30.75 1c84 n ARG 238 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1c84 n LYS 239 N -1.02 -2.93 -3.77 2.89 4.76 0.36 -4.92 118.16 113.53 1c84 n LYS 239 Ca 0.03 0.70 -0.28 0.00 -2.87 0.00 0.00 58.31 55.89 1c84 n LYS 239 Cb 0.20 -5.39 -0.12 0.00 -1.84 0.00 0.00 35.03 27.88 1c84 n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1c84 s ASP 240 N -2.32 3.85 0.51 4.39 2.15 -0.99 -4.96 116.67 119.30 1c84 s ASP 240 Ca 0.15 -3.37 0.32 0.00 0.43 0.00 0.00 52.55 50.08 1c84 s ASP 240 Cb -0.07 -1.28 1.44 0.00 -0.30 0.00 0.00 42.92 42.71 1c84 s ASP 240 CO 0.18 -0.15 1.81 -0.65 -0.17 0.00 0.00 175.17 176.19 1c84 h PRO 241 N 5.82 0.08 0.00 4.34 0.11 -1.91 -2.77 132.00 137.67 1c84 h PRO 241 Ca 0.12 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1c84 h PRO 241 Cb 0.83 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1c84 h PRO 241 CO 0.60 0.05 -1.00 0.77 -0.21 0.00 0.00 178.00 178.21 1c84 h SER 242 N 0.08 0.00 0.00 -2.05 0.02 -1.99 -2.51 113.55 107.11 1c84 h SER 242 Ca 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1c84 h SER 242 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1c84 h SER 242 CO -0.07 0.35 0.00 -1.54 -1.14 0.00 0.00 176.83 174.43 1c84 n SER 243 N -2.91 0.68 -4.19 3.07 3.41 -1.04 -4.72 113.62 107.91 1c84 n SER 243 Ca -0.03 -1.38 -0.35 0.00 -0.26 0.00 0.00 58.87 56.84 1c84 n SER 243 Cb 0.71 -0.34 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1c84 n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1c84 s VAL 244 N -1.02 3.05 -0.54 -3.33 1.01 -0.95 -5.02 120.40 113.60 1c84 s VAL 244 Ca 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 1c84 s VAL 244 Cb 0.00 -2.72 0.13 0.00 0.00 0.00 0.00 36.38 33.79 1c84 s VAL 244 CO 0.00 -0.07 0.48 -0.62 0.00 0.00 0.00 175.10 174.90 1c84 s ASP 245 N 1.28 6.11 0.19 3.32 -1.08 -1.26 -4.82 116.67 120.41 1c84 s ASP 245 Ca -0.04 -1.88 -0.12 0.00 -0.52 0.00 0.00 52.55 49.99 1c84 s ASP 245 Cb -0.19 -2.16 0.21 0.00 -1.46 0.00 0.00 42.92 39.31 1c84 s ASP 245 CO -0.01 -0.80 1.74 0.40 0.52 0.00 0.00 175.17 177.01 1c84 h ILE 246 N 5.87 0.78 -0.34 4.11 2.04 -1.97 0.24 117.51 128.23 1c84 h ILE 246 Ca -0.25 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1c84 h ILE 246 Cb 1.09 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1c84 h ILE 246 CO 0.98 0.06 -0.24 0.11 0.00 0.00 0.00 178.15 179.06 1c84 h LYS 247 N 0.33 0.69 -0.89 2.37 1.57 -1.99 0.99 116.57 119.63 1c84 h LYS 247 Ca 0.26 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1c84 h LYS 247 Cb 0.32 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1c84 h LYS 247 CO -0.29 0.86 0.55 0.87 -0.57 0.00 0.00 179.45 180.87 1c84 h LYS 248 N 0.60 1.20 -0.67 3.15 1.57 -1.51 -2.27 116.57 118.65 1c84 h LYS 248 Ca 0.08 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1c84 h LYS 248 Cb 0.73 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1c84 h LYS 248 CO 0.06 0.83 0.37 0.28 -0.57 0.00 0.00 179.45 180.42 1c84 h VAL 249 N 1.22 1.21 -0.72 0.50 2.07 0.01 0.70 116.25 121.24 1c84 h VAL 249 Ca 0.32 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1c84 h VAL 249 Cb -0.07 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 1c84 h VAL 249 CO -0.06 0.23 0.39 0.25 0.02 0.00 0.00 177.57 178.39 1c84 h LEU 250 N 0.91 0.54 -0.30 2.57 5.85 -0.56 -1.19 115.31 123.13 1c84 h LEU 250 Ca 0.24 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.83 1c84 h LEU 250 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1c84 h LEU 250 CO -0.04 0.33 -0.82 -0.07 -0.34 0.00 0.00 178.44 177.50 1c84 h LEU 251 N 0.68 0.00 -0.73 2.25 3.38 -0.64 -0.42 115.31 119.82 1c84 h LEU 251 Ca 0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1c84 h LEU 251 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1c84 h LEU 251 CO -0.23 0.82 0.47 -0.78 0.09 0.00 0.00 178.44 178.81 1c84 h ASP 252 N 0.00 0.78 -0.30 -0.43 3.58 -0.49 -2.11 116.42 117.44 1c84 h ASP 252 Ca -0.01 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 1c84 h ASP 252 Cb 1.48 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 1c84 h ASP 252 CO 0.11 0.54 -0.15 0.24 -2.88 0.00 0.00 179.24 177.10 1c84 h MET 253 N 0.92 0.75 -1.19 0.28 2.86 -0.69 -2.67 114.93 115.19 1c84 h MET 253 Ca 0.29 -0.26 0.45 0.00 -2.06 0.00 0.00 59.70 58.12 1c84 h MET 253 Cb -0.01 -0.06 -0.16 0.00 0.06 0.00 0.00 31.60 31.43 1c84 h MET 253 CO -0.10 0.85 0.71 2.89 1.06 0.00 0.00 176.91 182.32 1c84 n ARG 254 N -4.15 -0.05 0.31 1.72 1.85 -0.22 -1.27 116.66 114.85 1c84 n ARG 254 Ca 0.01 1.32 0.21 0.00 -1.00 0.00 0.00 57.85 58.39 1c84 n ARG 254 Cb 0.38 -2.48 1.03 0.00 -1.05 0.00 0.00 32.46 30.33 1c84 n ARG 254 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1c84 h LYS 255 N 0.00 0.00 0.00 2.89 1.57 -1.08 -3.25 116.57 116.70 1c84 h LYS 255 Ca 0.87 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.64 1c84 h LYS 255 Cb 2.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.85 1c84 h LYS 255 CO -0.63 0.00 -1.18 1.19 -0.57 0.00 0.00 179.45 178.26 1c84 n PHE 256 N -3.03 0.00 -3.65 -1.35 3.72 -0.40 -4.94 117.46 107.80 1c84 n PHE 256 Ca -0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1c84 n PHE 256 Cb 0.14 -0.10 -0.08 0.00 -0.94 0.00 0.00 39.48 38.51 1c84 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1c84 s ARG 257 N -2.24 0.76 0.53 -1.08 3.52 -0.95 -4.58 118.95 114.91 1c84 s ARG 257 Ca -0.01 0.98 -0.21 0.00 -0.13 0.00 0.00 55.73 56.35 1c84 s ARG 257 Cb 0.02 0.33 -0.05 0.00 -1.56 0.00 0.00 34.95 33.69 1c84 s ARG 257 CO 0.15 -0.10 1.26 0.00 -0.81 0.00 0.00 175.30 175.80 1c84 s MET 258 N 0.61 3.27 -0.00 5.12 0.23 -1.26 -4.18 119.30 123.09 1c84 s MET 258 Ca -0.02 1.99 0.00 0.00 -1.03 0.00 0.00 55.69 56.63 1c84 s MET 258 Cb -0.05 -2.21 0.00 0.00 -1.53 0.00 0.00 34.83 31.04 1c84 s MET 258 CO -0.03 -1.01 0.00 0.41 -2.03 0.00 0.00 175.02 172.36 1c84 n GLY 259 N 0.59 0.43 3.69 3.16 0.00 -1.26 -4.86 105.19 106.94 1c84 n GLY 259 Ca 0.10 -0.01 -0.52 0.00 0.00 0.00 0.00 46.02 45.60 1c84 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c84 n LEU 260 N -0.00 2.97 -1.78 0.99 4.77 -1.26 -3.72 117.00 118.97 1c84 n LEU 260 Ca -0.00 1.02 -0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1c84 n LEU 260 Cb 0.07 -1.28 -0.00 0.00 -2.33 0.00 0.00 43.42 39.87 1c84 n LEU 260 CO 0.00 -0.25 -0.28 -0.38 -1.33 0.00 0.00 177.39 175.15 1c84 n ILE 261 N 4.74 -8.38 0.01 -0.08 5.41 -0.39 -4.93 119.36 115.73 1c84 n ILE 261 Ca 0.24 1.75 0.10 0.00 1.00 0.00 0.00 62.75 65.83 1c84 n ILE 261 Cb 0.23 -4.77 -0.14 0.00 -0.71 0.00 0.00 39.64 34.25 1c84 n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1c84 n GLN 262 N 1.01 0.65 -4.13 0.38 1.13 -1.24 -4.91 117.38 110.27 1c84 n GLN 262 Ca -0.02 -0.13 -0.14 0.00 -1.94 0.00 0.00 57.00 54.77 1c84 n GLN 262 Cb 0.03 -1.57 -0.11 0.00 0.11 0.00 0.00 30.24 28.70 1c84 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1c84 s THR 263 N -3.44 0.79 0.51 5.09 -4.23 -1.26 -5.05 115.64 108.05 1c84 s THR 263 Ca -0.07 -1.43 0.18 0.00 -1.18 0.00 0.00 61.69 59.19 1c84 s THR 263 Cb 0.13 -1.09 0.26 0.00 1.34 0.00 0.00 72.50 73.14 1c84 s THR 263 CO 0.89 -0.49 2.13 0.00 -0.54 0.00 0.00 174.62 176.61 1c84 h ALA 264 N 3.93 1.85 0.00 3.99 0.00 -1.93 -2.24 119.26 124.85 1c84 h ALA 264 Ca -0.37 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1c84 h ALA 264 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1c84 h ALA 264 CO 0.48 0.06 -0.78 0.22 0.00 0.00 0.00 179.25 179.23 1c84 h ASP 265 N 0.00 0.00 -0.73 0.00 3.58 -1.96 0.55 116.42 117.86 1c84 h ASP 265 Ca -0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1c84 h ASP 265 Cb 0.08 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 1c84 h ASP 265 CO 0.01 0.78 0.48 1.56 -2.88 0.00 0.00 179.24 179.19 1c84 h GLN 266 N 0.00 0.97 0.07 0.28 4.20 -1.80 0.72 115.11 119.54 1c84 h GLN 266 Ca -0.01 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1c84 h GLN 266 Cb 1.46 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 1c84 h GLN 266 CO 0.10 0.65 -0.16 1.25 -0.67 0.00 0.00 178.83 180.00 1c84 h LEU 267 N 1.00 -0.44 0.08 1.46 5.85 -0.95 0.39 115.31 122.69 1c84 h LEU 267 Ca 0.27 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1c84 h LEU 267 Cb -0.11 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1c84 h LEU 267 CO -0.06 -0.23 -0.04 -0.09 -0.34 0.00 0.00 178.44 177.69 1c84 h ARG 268 N -0.30 -0.11 -0.81 1.25 2.43 -0.70 -1.66 114.38 114.48 1c84 h ARG 268 Ca 0.03 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.40 1c84 h ARG 268 Cb 0.33 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.78 1c84 h ARG 268 CO -0.10 -0.03 0.20 0.35 -1.51 0.00 0.00 179.97 178.87 1c84 h PHE 269 N -0.15 0.30 -0.56 2.20 3.57 0.74 -1.43 116.94 121.61 1c84 h PHE 269 Ca -0.01 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1c84 h PHE 269 Cb 0.12 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1c84 h PHE 269 CO -0.06 -0.15 0.33 0.77 -2.23 0.00 0.00 178.31 176.97 1c84 h SER 270 N 0.24 0.51 -0.07 0.41 0.02 0.66 0.81 113.55 116.14 1c84 h SER 270 Ca 0.48 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.48 1c84 h SER 270 Cb 0.89 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 1c84 h SER 270 CO -0.59 0.36 -0.24 1.88 -1.14 0.00 0.00 176.83 177.10 1c84 h TYR 271 N 0.64 -0.63 -0.48 3.45 -1.99 -0.58 -1.27 116.97 116.11 1c84 h TYR 271 Ca 0.23 0.03 0.10 0.00 2.00 0.00 0.00 58.73 61.08 1c84 h TYR 271 Cb 0.06 0.29 -0.10 0.00 2.00 0.00 0.00 36.73 38.98 1c84 h TYR 271 CO -0.07 -0.32 -0.24 -0.07 -0.00 0.00 0.00 178.16 177.46 1c84 h LEU 272 N -0.33 -0.83 -0.38 3.88 3.38 -0.87 0.23 115.31 120.37 1c84 h LEU 272 Ca 0.08 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1c84 h LEU 272 Cb 0.45 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1c84 h LEU 272 CO -0.26 -0.26 0.23 0.00 0.09 0.00 0.00 178.44 178.24 1c84 h ALA 273 N 1.13 0.48 -0.39 1.53 0.00 -0.54 -1.11 119.26 120.36 1c84 h ALA 273 Ca 0.22 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1c84 h ALA 273 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1c84 h ALA 273 CO -0.56 -0.10 -0.33 0.28 0.00 0.00 0.00 179.25 178.53 1c84 h VAL 274 N 0.47 1.27 -0.17 0.00 2.07 -0.75 -1.03 116.25 118.12 1c84 h VAL 274 Ca 0.15 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.20 1c84 h VAL 274 Cb -0.01 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1c84 h VAL 274 CO -0.06 0.50 -0.06 0.40 0.02 0.00 0.00 177.57 178.37 1c84 h ILE 275 N 0.74 0.78 0.32 4.57 2.04 -0.44 0.81 117.51 126.33 1c84 h ILE 275 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1c84 h ILE 275 Cb 0.92 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1c84 h ILE 275 CO 0.09 0.00 -0.15 -0.08 0.00 0.00 0.00 178.15 178.00 1c84 h GLU 276 N -0.03 -0.42 -0.11 2.37 4.57 -1.15 -2.64 114.58 117.17 1c84 h GLU 276 Ca 0.09 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1c84 h GLU 276 Cb 0.16 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1c84 h GLU 276 CO -0.19 -0.27 0.12 0.78 -1.18 0.00 0.00 179.01 178.26 1c84 h GLY 277 N -0.44 0.00 0.86 1.92 0.00 -1.18 -0.70 103.07 103.53 1c84 h GLY 277 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.43 1c84 h GLY 277 CO 0.07 0.00 0.43 0.00 0.00 0.00 0.00 176.54 177.04 1c84 h ALA 278 N 1.88 2.36 0.33 3.60 0.00 -0.44 -1.15 119.26 125.83 1c84 h ALA 278 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1c84 h ALA 278 Cb 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1c84 h ALA 278 CO -0.00 -0.69 -0.33 0.87 0.00 0.00 0.00 179.25 179.10 1c84 h LYS 279 N 0.00 -0.66 0.55 0.00 1.57 -1.23 0.24 116.57 117.04 1c84 h LYS 279 Ca 0.24 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1c84 h LYS 279 Cb 1.09 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1c84 h LYS 279 CO -0.00 -0.44 -0.39 0.35 -0.57 0.00 0.00 179.45 178.40 1c84 h PHE 280 N -0.68 -1.05 -0.68 -1.35 3.57 -1.60 -2.44 116.94 112.71 1c84 h PHE 280 Ca -0.02 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.67 1c84 h PHE 280 Cb 0.62 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1c84 h PHE 280 CO -0.19 -0.58 0.49 0.82 -2.23 0.00 0.00 178.31 176.62 1c84 h ILE 281 N -0.92 0.66 -0.43 1.41 5.03 -1.09 -1.28 117.51 120.90 1c84 h ILE 281 Ca -0.06 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1c84 h ILE 281 Cb 0.77 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1c84 h ILE 281 CO 0.03 0.00 0.00 0.23 -0.68 0.00 0.00 178.15 177.73 1c84 n MET 282 N -4.34 3.37 0.00 2.37 2.81 0.82 -4.86 117.12 117.29 1c84 n MET 282 Ca 0.13 -2.11 0.00 0.00 -1.81 0.00 0.00 57.70 53.91 1c84 n MET 282 Cb 0.75 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1c84 n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c84 n GLY 283 N 0.64 1.06 3.00 3.03 0.00 -0.48 -5.03 105.19 107.40 1c84 n GLY 283 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1c84 n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c84 n ASP 284 N 0.00 6.37 0.13 1.61 -0.08 -0.93 -4.87 116.55 118.78 1c84 n ASP 284 Ca 0.00 -3.41 0.18 0.00 -1.51 0.00 0.00 54.79 50.05 1c84 n ASP 284 Cb 0.00 -1.26 0.76 0.00 2.34 0.00 0.00 41.12 42.96 1c84 n ASP 284 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1c84 h SER 285 N 5.42 0.00 0.95 1.67 0.02 -1.83 -1.74 113.55 118.04 1c84 h SER 285 Ca 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1c84 h SER 285 Cb 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1c84 h SER 285 CO 1.32 0.00 -0.05 0.77 -1.14 0.00 0.00 176.83 177.73 1c84 h SER 286 N 0.00 0.00 -1.16 3.07 4.64 -1.96 0.27 113.55 118.41 1c84 h SER 286 Ca 0.15 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.80 1c84 h SER 286 Cb 0.71 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 1c84 h SER 286 CO -0.00 0.05 0.80 1.62 -0.87 0.00 0.00 176.83 178.43 1c84 h VAL 287 N 0.00 0.42 -0.47 0.95 3.04 -1.69 -2.65 116.25 115.86 1c84 h VAL 287 Ca -0.00 -0.05 -0.11 0.00 -1.01 0.00 0.00 66.70 65.53 1c84 h VAL 287 Cb 0.54 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 1c84 h VAL 287 CO 0.01 0.03 -0.15 -0.61 -1.01 0.00 0.00 177.57 175.84 1c84 h GLN 288 N 0.15 0.93 -0.37 4.17 4.15 -1.13 0.54 115.11 123.54 1c84 h GLN 288 Ca 0.60 -0.37 0.06 0.00 0.77 0.00 0.00 58.65 59.71 1c84 h GLN 288 Cb 2.06 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 29.62 1c84 h GLN 288 CO -0.14 1.03 -0.49 -0.44 -1.93 0.00 0.00 178.83 176.86 1c84 h ASP 289 N 0.77 -1.61 -0.72 -0.69 3.32 -1.64 -1.66 116.42 114.18 1c84 h ASP 289 Ca 0.11 0.23 0.16 0.00 0.02 0.00 0.00 57.03 57.55 1c84 h ASP 289 Cb 0.71 0.68 -0.12 0.00 0.22 0.00 0.00 39.33 40.81 1c84 h ASP 289 CO 0.05 -0.40 0.03 1.56 -1.72 0.00 0.00 179.24 178.77 1c84 h GLN 290 N -0.38 0.12 -0.36 3.56 4.20 -1.29 0.15 115.11 121.11 1c84 h GLN 290 Ca 0.10 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.87 1c84 h GLN 290 Cb 0.60 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.29 1c84 h GLN 290 CO -0.57 0.08 -0.03 -1.49 -0.67 0.00 0.00 178.83 176.15 1c84 h TRP 291 N 0.13 -0.08 -0.57 2.96 6.55 -0.39 -0.23 115.95 124.31 1c84 h TRP 291 Ca 0.40 0.03 0.02 0.00 0.95 0.00 0.00 58.89 60.29 1c84 h TRP 291 Cb 0.69 0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 29.04 1c84 h TRP 291 CO -0.39 -0.10 0.35 -0.22 -1.05 0.00 0.00 178.44 177.03 1c84 h LYS 292 N 0.06 0.68 0.18 0.49 3.64 0.14 -1.13 116.57 120.63 1c84 h LYS 292 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1c84 h LYS 292 Cb 0.26 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1c84 h LYS 292 CO -0.32 0.45 -0.15 1.49 -2.27 0.00 0.00 179.45 178.65 1c84 h GLU 293 N 0.70 -0.31 -0.25 1.90 4.57 -0.86 -2.96 114.58 117.38 1c84 h GLU 293 Ca 0.23 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.50 1c84 h GLU 293 Cb 0.00 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1c84 h GLU 293 CO -0.09 -0.21 0.34 -0.07 -1.18 0.00 0.00 179.01 177.81 1c84 h LEU 294 N -0.32 0.00 0.00 1.64 3.38 -0.93 -0.93 115.31 118.16 1c84 h LEU 294 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1c84 h LEU 294 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1c84 h LEU 294 CO -0.00 0.00 -0.11 0.77 0.09 0.00 0.00 178.44 179.19 1c84 h SER 295 N 0.00 0.00 -5.80 -0.43 4.64 -1.04 -3.47 113.55 107.44 1c84 h SER 295 Ca 0.12 -0.03 -0.34 0.00 -0.47 0.00 0.00 61.79 61.07 1c84 h SER 295 Cb 0.80 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.02 1c84 h SER 295 CO -0.00 0.01 -0.85 1.41 -0.87 0.00 0.00 176.83 176.53 1c84 n HIS 296 N -2.44 -2.16 -0.11 4.77 8.25 -0.35 -4.91 115.22 118.27 1c84 n HIS 296 Ca 0.05 0.79 -0.11 0.00 -0.26 0.00 0.00 57.72 58.18 1c84 n HIS 296 Cb 0.46 -4.23 -0.03 0.00 1.12 0.00 0.00 29.99 27.31 1c84 n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1c84 h GLU 297 N -1.59 0.62 -0.00 -0.41 4.11 -1.80 -3.42 114.58 112.09 1c84 h GLU 297 Ca -0.62 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 58.59 1c84 h GLU 297 Cb 1.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1c84 h GLU 297 CO 0.49 0.77 0.00 -0.25 0.07 0.00 0.00 179.01 180.09