#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i39 s ARG 3 N 0.00 3.32 0.13 0.00 0.52 -1.26 -4.86 118.95 116.80 3i39 s ARG 3 Ca 0.00 -0.77 0.24 0.00 -0.52 0.00 0.00 55.73 54.68 3i39 s ARG 3 Cb 0.00 -5.08 0.93 0.00 0.52 0.00 0.00 34.95 31.32 3i39 s ARG 3 CO 0.00 -2.41 1.74 1.04 0.02 0.00 0.00 175.30 175.70 3i39 n GLN 4 N 8.98 0.13 0.23 3.54 1.13 -1.26 -1.88 117.38 128.24 3i39 n GLN 4 Ca 0.29 0.21 0.15 0.00 -1.94 0.00 0.00 57.00 55.72 3i39 n GLN 4 Cb 0.50 -1.68 0.57 0.00 0.11 0.00 0.00 30.24 29.74 3i39 n GLN 4 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 3i39 h ASN 5 N 0.00 0.00 1.17 1.08 -1.07 -1.90 0.06 115.58 114.92 3i39 h ASN 5 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 3i39 h ASN 5 Cb 0.50 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.74 3i39 h ASN 5 CO 0.00 0.00 -0.17 -0.07 0.07 0.00 0.00 177.43 177.26 3i39 h LEU 6 N 0.00 0.00 0.02 6.14 3.38 -1.79 -3.35 115.31 119.71 3i39 h LEU 6 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3i39 h LEU 6 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3i39 h LEU 6 CO 0.00 0.17 -1.40 0.11 0.09 0.00 0.00 178.44 177.41 3i39 h LYS 7 N 0.00 0.05 -3.50 1.13 1.57 -1.17 -3.40 116.57 111.25 3i39 h LYS 7 Ca -0.00 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 3i39 h LYS 7 Cb 0.80 0.03 -0.28 0.00 0.08 0.00 0.00 32.23 32.87 3i39 h LYS 7 CO 0.02 1.04 -0.62 0.45 -0.57 0.00 0.00 179.45 179.78 3i39 s SER 8 N -6.90 -0.09 0.00 0.86 0.15 -0.71 -1.08 113.70 105.93 3i39 s SER 8 Ca -0.28 0.18 0.30 0.00 0.70 0.00 0.00 55.95 56.85 3i39 s SER 8 Cb 0.06 0.18 1.42 0.00 -1.71 0.00 0.00 66.02 65.96 3i39 s SER 8 CO 0.62 -0.04 1.98 0.35 1.20 0.00 0.00 173.24 177.36 3i39 n THR 9 N 3.13 0.00 -2.85 6.45 -2.24 -0.75 -4.09 114.28 113.93 3i39 n THR 9 Ca -0.13 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3i39 n THR 9 Cb 0.59 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 3i39 n THR 9 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i39 s ASP 10 N -2.54 6.89 0.37 3.42 -1.08 -1.26 -4.96 116.67 117.51 3i39 s ASP 10 Ca 0.29 1.11 0.11 0.00 -0.52 0.00 0.00 52.55 53.53 3i39 s ASP 10 Cb 0.20 -2.46 0.74 0.00 -1.46 0.00 0.00 42.92 39.94 3i39 s ASP 10 CO 0.47 -0.53 1.86 0.03 0.52 0.00 0.00 175.17 177.52 3i39 h ARG 11 N 7.60 0.13 -0.32 4.34 3.08 -1.97 -0.01 114.38 127.23 3i39 h ARG 11 Ca -0.23 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3i39 h ARG 11 Cb 1.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3i39 h ARG 11 CO 0.89 0.39 0.07 0.00 -1.07 0.00 0.00 179.97 180.25 3i39 h ALA 12 N 1.62 0.43 -0.11 0.04 0.00 -1.94 -1.68 119.26 117.61 3i39 h ALA 12 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3i39 h ALA 12 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3i39 h ALA 12 CO 0.04 0.10 -0.04 0.28 0.00 0.00 0.00 179.25 179.62 3i39 h VAL 13 N 0.36 0.85 -0.96 0.00 2.07 -1.80 -2.18 116.25 114.58 3i39 h VAL 13 Ca 0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.77 3i39 h VAL 13 Cb 0.31 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3i39 h VAL 13 CO 0.00 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.76 3i39 h GLN 14 N -0.03 0.78 -0.54 1.57 4.20 -0.90 0.15 115.11 120.35 3i39 h GLN 14 Ca 0.06 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3i39 h GLN 14 Cb 0.12 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3i39 h GLN 14 CO -0.13 0.52 -0.04 0.37 -0.67 0.00 0.00 178.83 178.87 3i39 h GLN 15 N 0.81 0.95 0.00 1.46 4.15 -0.95 -1.62 115.11 119.91 3i39 h GLN 15 Ca 0.50 -0.30 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 3i39 h GLN 15 Cb 0.71 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 3i39 h GLN 15 CO -0.27 0.96 -0.35 0.52 -1.93 0.00 0.00 178.83 177.76 3i39 h MET 16 N 0.87 0.00 -0.58 1.69 2.86 -0.76 -2.23 114.93 116.79 3i39 h MET 16 Ca 0.15 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 3i39 h MET 16 Cb 0.57 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3i39 h MET 16 CO 0.03 0.35 -0.01 -0.07 1.06 0.00 0.00 176.91 178.27 3i39 h LEU 17 N 0.00 1.01 -0.69 1.22 3.38 -0.16 0.19 115.31 120.25 3i39 h LEU 17 Ca -0.00 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3i39 h LEU 17 Cb 1.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3i39 h LEU 17 CO 0.05 1.08 0.16 0.44 0.09 0.00 0.00 178.44 180.25 3i39 h ASP 18 N 0.92 1.06 -0.09 -0.43 3.32 -0.91 -1.22 116.42 119.07 3i39 h ASP 18 Ca 0.16 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3i39 h ASP 18 Cb 0.57 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3i39 h ASP 18 CO 0.03 1.03 0.03 0.50 -1.72 0.00 0.00 179.24 179.11 3i39 h LYS 19 N 1.05 0.14 -0.90 3.56 3.64 -0.97 -1.07 116.57 122.02 3i39 h LYS 19 Ca 0.22 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 3i39 h LYS 19 Cb 0.39 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 3i39 h LYS 19 CO 0.00 0.29 0.54 0.00 -2.27 0.00 0.00 179.45 178.01 3i39 h ALA 20 N 0.85 1.31 -0.36 5.00 0.00 -0.57 -1.08 119.26 124.41 3i39 h ALA 20 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3i39 h ALA 20 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i39 h ALA 20 CO -0.00 0.16 -0.18 -0.22 0.00 0.00 0.00 179.25 179.01 3i39 h LYS 21 N 0.88 0.76 -0.39 0.00 3.64 -0.89 0.52 116.57 121.09 3i39 h LYS 21 Ca 0.44 -0.33 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3i39 h LYS 21 Cb 0.40 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 3i39 h LYS 21 CO -0.25 0.95 0.03 0.00 -2.27 0.00 0.00 179.45 177.91 3i39 h ARG 22 N 0.55 0.14 0.00 1.90 3.08 -0.81 -2.40 114.38 116.83 3i39 h ARG 22 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3i39 h ARG 22 Cb 0.72 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3i39 h ARG 22 CO 0.05 0.09 0.00 0.39 -1.07 0.00 0.00 179.97 179.44 3i39 n GLU 23 N -5.15 0.30 -1.09 0.04 1.02 -0.44 -4.94 120.64 110.37 3i39 n GLU 23 Ca 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.13 3i39 n GLU 23 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 3i39 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i39 n GLY 24 N 1.34 0.63 3.61 0.62 0.00 -0.44 -4.99 105.19 105.97 3i39 n GLY 24 Ca 0.12 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3i39 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i39 s ILE 25 N -2.11 4.93 0.27 -0.61 1.01 0.04 -5.03 121.20 119.71 3i39 s ILE 25 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.42 3i39 s ILE 25 Cb 0.00 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 3i39 s ILE 25 CO 0.00 -0.08 1.19 -1.58 0.00 0.00 0.00 174.94 174.47 3i39 s GLN 26 N 2.63 4.51 0.47 2.79 0.74 -1.26 -4.54 119.66 125.00 3i39 s GLN 26 Ca 0.27 1.95 0.05 0.00 0.05 0.00 0.00 55.36 57.69 3i39 s GLN 26 Cb -0.15 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 3i39 s GLN 26 CO 0.10 0.01 0.18 0.95 -0.55 0.00 0.00 175.29 175.98 3i39 s THR 27 N -0.84 1.82 0.35 -0.34 -4.23 -1.26 -5.00 115.64 106.14 3i39 s THR 27 Ca 0.48 -1.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 3i39 s THR 27 Cb -0.35 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.24 3i39 s THR 27 CO 0.43 0.00 1.93 1.62 -0.54 0.00 0.00 174.62 178.06 3i39 h VAL 28 N 1.25 0.98 -0.41 2.29 3.04 -1.96 -0.54 116.25 120.91 3i39 h VAL 28 Ca -0.42 -0.27 -0.12 0.00 -1.01 0.00 0.00 66.70 64.89 3i39 h VAL 28 Cb 1.28 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 3i39 h VAL 28 CO 0.68 0.14 -0.22 -0.50 -1.01 0.00 0.00 177.57 176.67 3i39 h TRP 29 N 0.79 0.92 -0.61 3.17 6.55 -1.95 -0.31 115.95 124.51 3i39 h TRP 29 Ca 0.36 -0.21 -0.09 0.00 0.95 0.00 0.00 58.89 59.90 3i39 h TRP 29 Cb 0.36 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.42 3i39 h TRP 29 CO -0.00 0.95 0.04 -0.44 -1.05 0.00 0.00 178.44 177.94 3i39 h ASP 30 N 0.71 1.00 0.21 -3.49 3.32 -1.60 -1.31 116.42 115.26 3i39 h ASP 30 Ca 0.10 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.76 3i39 h ASP 30 Cb 0.74 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3i39 h ASP 30 CO 0.06 1.03 -0.47 0.03 -1.72 0.00 0.00 179.24 178.17 3i39 h ARG 31 N 0.95 0.31 -0.07 3.56 3.08 -0.87 -1.30 114.38 120.04 3i39 h ARG 31 Ca 0.18 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i39 h ARG 31 Cb 0.50 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3i39 h ARG 31 CO 0.02 0.72 0.04 -0.92 -1.07 0.00 0.00 179.97 178.76 3i39 h TYR 32 N 0.25 0.10 -0.98 3.04 3.20 -0.93 -2.48 116.97 119.17 3i39 h TYR 32 Ca 0.02 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.97 3i39 h TYR 32 Cb 0.92 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 3i39 h TYR 32 CO 0.02 0.18 0.62 0.93 -1.64 0.00 0.00 178.16 178.26 3i39 h GLU 33 N 0.00 1.02 0.00 1.82 4.39 -0.93 0.05 114.58 120.93 3i39 h GLU 33 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3i39 h GLU 33 Cb 0.11 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3i39 h GLU 33 CO -0.00 0.68 -0.01 0.00 -1.16 0.00 0.00 179.01 178.51 3i39 h ALA 34 N 1.48 1.01 0.00 3.43 0.00 -1.11 -2.71 119.26 121.37 3i39 h ALA 34 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3i39 h ALA 34 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i39 h ALA 34 CO -0.22 0.01 -0.42 1.98 0.00 0.00 0.00 179.25 180.61 3i39 h MET 35 N 0.00 0.00 -6.85 0.00 1.85 -0.52 -3.47 114.93 105.94 3i39 h MET 35 Ca -0.00 0.00 -0.49 0.00 -0.61 0.00 0.00 59.70 58.60 3i39 h MET 35 Cb 0.35 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.40 3i39 h MET 35 CO 0.00 0.00 0.44 0.15 -0.40 0.00 0.00 176.91 177.10 3i39 s LYS 36 N -3.26 4.51 0.24 0.39 1.02 -1.02 -3.17 119.74 118.46 3i39 s LYS 36 Ca 0.04 1.66 -0.30 0.00 0.02 0.00 0.00 55.97 57.40 3i39 s LYS 36 Cb 0.08 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.31 3i39 s LYS 36 CO 0.71 0.14 0.97 -1.25 -0.92 0.00 0.00 175.35 175.00 3i39 s PRO 37 N -1.77 4.81 0.58 -1.68 0.04 -1.26 -5.06 135.00 130.67 3i39 s PRO 37 Ca 0.48 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 3i39 s PRO 37 Cb -0.28 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 3i39 s PRO 37 CO 0.35 0.45 1.04 -0.65 0.04 0.00 0.00 177.00 178.23 3i39 s GLN 38 N -1.20 3.45 0.08 4.56 -0.21 -1.19 -4.95 119.66 120.20 3i39 s GLN 38 Ca 0.42 1.10 -0.31 0.00 0.02 0.00 0.00 55.36 56.59 3i39 s GLN 38 Cb -0.27 -2.06 -0.09 0.00 1.00 0.00 0.00 33.01 31.59 3i39 s GLN 38 CO 0.34 -0.69 1.82 0.00 -2.12 0.00 0.00 175.29 174.64 3i39 h GLY 40 N 9.27 0.00 0.60 0.00 0.00 -1.99 -1.83 103.07 109.12 3i39 h GLY 40 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3i39 h GLY 40 CO 0.94 0.00 -0.06 0.74 0.00 0.00 0.00 176.54 178.16 3i39 h PHE 41 N 0.00 -0.16 -0.49 5.60 0.04 -1.91 -2.78 116.94 117.24 3i39 h PHE 41 Ca -0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3i39 h PHE 41 Cb 0.66 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 3i39 h PHE 41 CO 0.00 0.22 0.15 0.78 -0.60 0.00 0.00 178.31 178.86 3i39 h GLY 42 N -0.57 0.79 1.11 -1.45 0.00 -1.83 0.26 103.07 101.38 3i39 h GLY 42 Ca -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3i39 h GLY 42 CO 0.03 0.40 0.34 0.83 0.00 0.00 0.00 176.54 178.13 3i39 h GLU 43 N 0.72 1.14 -0.01 4.80 5.08 -1.34 -2.49 114.58 122.47 3i39 h GLU 43 Ca 0.17 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i39 h GLU 43 Cb 0.22 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3i39 h GLU 43 CO -0.01 0.90 -0.18 0.25 -1.00 0.00 0.00 179.01 178.98 3i39 n THR 44 N -4.30 0.00 -0.61 1.13 -2.24 -1.01 -4.35 114.28 102.90 3i39 n THR 44 Ca 0.07 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3i39 n THR 44 Cb 0.16 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3i39 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i39 n GLY 45 N 1.30 0.87 2.59 3.38 0.00 -0.68 -0.69 105.19 111.95 3i39 n GLY 45 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3i39 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i39 n LEU 46 N 0.00 7.57 -3.76 0.99 4.77 -0.01 -4.14 117.00 122.42 3i39 n LEU 46 Ca 0.00 -4.99 -0.12 0.00 -0.03 0.00 0.00 56.01 50.87 3i39 n LEU 46 Cb 0.00 -1.24 -0.12 0.00 -2.33 0.00 0.00 43.42 39.72 3i39 n LEU 46 CO 0.00 1.99 -0.10 0.00 -1.33 0.00 0.00 177.39 177.96 3i39 n ARG 49 N 3.08 0.86 0.00 0.00 1.74 -1.26 -0.98 116.66 120.10 3i39 n ARG 49 Ca -0.16 -2.68 0.16 0.00 -0.77 0.00 0.00 57.85 54.40 3i39 n ARG 49 Cb 0.55 -0.82 0.88 0.00 -1.02 0.00 0.00 32.46 32.06 3i39 n ARG 49 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i39 n HIS 50 N -0.25 0.00 -4.02 -1.55 8.25 -1.26 -4.82 115.22 111.57 3i39 n HIS 50 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.49 3i39 n HIS 50 Cb 0.94 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.90 3i39 n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i39 n LEU 52 N -0.40 0.21 0.15 0.00 4.77 -1.26 -1.96 117.00 118.50 3i39 n LEU 52 Ca -0.01 -0.09 0.03 0.00 -0.03 0.00 0.00 56.01 55.90 3i39 n LEU 52 Cb 0.62 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.79 3i39 n LEU 52 CO 0.24 0.05 0.51 1.56 -1.33 0.00 0.00 177.39 178.42 3i39 h GLN 53 N 0.25 0.00 0.00 3.23 4.20 -1.97 -3.46 115.11 117.35 3i39 h GLN 53 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3i39 h GLN 53 Cb 0.06 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.88 3i39 h GLN 53 CO 0.00 0.50 0.04 0.41 -0.67 0.00 0.00 178.83 179.11 3i39 n GLY 54 N 0.97 -2.28 3.75 3.46 0.00 -0.83 -4.78 105.19 105.48 3i39 n GLY 54 Ca 0.01 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 3i39 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i39 s PRO 55 N -3.53 4.68 0.11 1.61 0.04 -1.26 -5.04 135.00 131.61 3i39 s PRO 55 Ca 0.15 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.93 3i39 s PRO 55 Cb -0.01 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3i39 s PRO 55 CO 0.11 0.26 0.15 0.00 0.04 0.00 0.00 177.00 177.56 3i39 s ARG 57 N -2.75 0.89 -0.06 0.00 1.70 -1.26 -0.68 118.95 116.79 3i39 s ARG 57 Ca 0.32 -0.93 0.02 0.00 -0.47 0.00 0.00 55.73 54.66 3i39 s ARG 57 Cb -0.12 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 3i39 s ARG 57 CO 0.25 -0.29 -0.11 0.42 -1.08 0.00 0.00 175.30 174.48 3i39 s ILE 58 N -3.86 1.02 0.19 4.99 1.01 -0.88 -4.67 121.20 118.99 3i39 s ILE 58 Ca 0.05 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 59.98 3i39 s ILE 58 Cb 0.04 -0.94 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 3i39 s ILE 58 CO -0.11 0.33 1.56 0.20 0.00 0.00 0.00 174.94 176.92 3i39 s ASN 59 N 0.70 6.57 0.41 3.58 0.01 -0.45 -4.82 114.94 120.93 3i39 s ASN 59 Ca -0.14 2.66 0.09 0.00 -0.71 0.00 0.00 52.86 54.77 3i39 s ASN 59 Cb -0.15 -2.60 0.90 0.00 0.41 0.00 0.00 41.25 39.81 3i39 s ASN 59 CO 0.03 -0.82 2.02 -0.65 -1.51 0.00 0.00 177.10 176.16 3i39 h PRO 60 N 6.43 0.52 -3.37 -0.60 0.11 -1.94 -3.43 132.00 129.71 3i39 h PRO 60 Ca -0.43 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3i39 h PRO 60 Cb 1.21 -0.12 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 3i39 h PRO 60 CO 0.89 0.34 -0.34 -0.06 -0.21 0.00 0.00 178.00 178.62 3i39 s PHE 61 N -5.48 -0.04 0.00 0.65 0.08 -1.26 -5.10 117.98 106.83 3i39 s PHE 61 Ca -0.08 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 56.89 3i39 s PHE 61 Cb 0.18 0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.66 3i39 s PHE 61 CO 0.74 -0.42 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 3i39 n GLY 62 N 0.88 0.39 0.00 4.36 0.00 -1.26 -5.04 105.19 104.51 3i39 n GLY 62 Ca -0.20 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3i39 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i39 n ASP 63 N 0.00 1.23 -4.74 1.61 8.00 -1.26 -5.07 116.55 116.32 3i39 n ASP 63 Ca 0.00 -0.86 -0.38 0.00 0.71 0.00 0.00 54.79 54.26 3i39 n ASP 63 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 3i39 n ASP 63 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3i39 s GLU 64 N -1.49 2.84 0.32 -1.24 -1.05 -1.26 -4.42 118.70 112.41 3i39 s GLU 64 Ca 0.00 2.18 -0.26 0.00 -0.15 0.00 0.00 54.97 56.74 3i39 s GLU 64 Cb 0.00 -2.06 -0.10 0.00 -0.44 0.00 0.00 34.13 31.53 3i39 s GLU 64 CO 0.00 -1.41 0.98 -1.25 0.95 0.00 0.00 175.26 174.53 3i39 s PRO 65 N -3.13 4.54 -0.01 -4.83 0.04 -1.26 -4.91 135.00 125.45 3i39 s PRO 65 Ca 0.77 1.42 0.07 0.00 0.04 0.00 0.00 61.00 63.30 3i39 s PRO 65 Cb -0.40 -2.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 3i39 s PRO 65 CO 0.45 0.22 0.22 1.63 0.04 0.00 0.00 177.00 179.56 3i39 n LYS 66 N 0.59 2.35 -3.64 4.56 5.02 -1.26 -1.35 118.16 124.43 3i39 n LYS 66 Ca 0.02 -0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 3i39 n LYS 66 Cb 0.49 -1.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.43 3i39 n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i39 s VAL 67 N -2.09 0.04 0.94 -0.18 1.01 -1.26 -4.65 120.40 114.20 3i39 s VAL 67 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3i39 s VAL 67 Cb 0.05 -0.87 0.16 0.00 0.00 0.00 0.00 36.38 35.71 3i39 s VAL 67 CO 0.29 -0.18 1.09 -0.83 0.00 0.00 0.00 175.10 175.47 3i39 s GLY 68 N -1.63 1.63 0.25 4.51 0.00 0.19 -4.90 107.32 107.36 3i39 s GLY 68 Ca -0.09 0.12 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 3i39 s GLY 68 CO 0.02 0.62 1.81 -2.22 0.00 0.00 0.00 173.10 173.34 3i39 h ILE 69 N -1.79 1.24 0.00 0.90 2.04 -1.95 -0.32 117.51 117.63 3i39 h ILE 69 Ca -0.50 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3i39 h ILE 69 Cb 1.28 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3i39 h ILE 69 CO 0.50 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.97 3i39 n GLY 71 N 0.61 0.59 3.69 0.00 0.00 -0.13 -5.06 105.19 104.89 3i39 n GLY 71 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3i39 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i39 s ALA 72 N -2.00 3.65 0.85 4.61 0.00 -1.25 -4.66 121.76 122.96 3i39 s ALA 72 Ca 0.00 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 3i39 s ALA 72 Cb 0.00 -3.65 0.11 0.00 0.00 0.00 0.00 23.12 19.58 3i39 s ALA 72 CO 0.00 -0.98 1.16 0.95 0.00 0.00 0.00 175.76 176.89 3i39 s THR 73 N 2.35 2.00 0.27 0.00 -4.23 -1.26 -0.64 115.64 114.13 3i39 s THR 73 Ca 0.70 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.20 3i39 s THR 73 Cb -0.37 -2.90 0.27 0.00 1.34 0.00 0.00 72.50 70.85 3i39 s THR 73 CO 0.30 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.23 3i39 h ALA 74 N -1.25 1.44 -0.08 3.99 0.00 -1.92 -0.35 119.26 121.09 3i39 h ALA 74 Ca -0.48 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3i39 h ALA 74 Cb 1.33 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3i39 h ALA 74 CO 0.64 0.27 -0.09 0.93 0.00 0.00 0.00 179.25 181.00 3i39 h GLU 75 N 1.02 -0.11 0.02 0.00 5.08 -1.92 -0.63 114.58 118.04 3i39 h GLU 75 Ca 0.47 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3i39 h GLU 75 Cb 0.38 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3i39 h GLU 75 CO -0.24 -0.08 -0.01 0.28 -1.00 0.00 0.00 179.01 177.97 3i39 h VAL 76 N -0.12 1.14 -0.46 3.13 2.07 -1.82 -1.73 116.25 118.47 3i39 h VAL 76 Ca 0.06 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3i39 h VAL 76 Cb 0.21 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3i39 h VAL 76 CO -0.15 0.13 0.23 0.40 0.02 0.00 0.00 177.57 178.20 3i39 h ILE 77 N -0.24 0.97 -0.35 4.57 2.04 -1.00 -0.28 117.51 123.22 3i39 h ILE 77 Ca -0.00 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3i39 h ILE 77 Cb 0.23 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3i39 h ILE 77 CO 0.00 0.08 0.10 0.58 0.00 0.00 0.00 178.15 178.92 3i39 h VAL 78 N 0.47 1.22 -0.43 1.67 2.07 -1.13 -1.87 116.25 118.25 3i39 h VAL 78 Ca 0.20 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 3i39 h VAL 78 Cb 0.10 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3i39 h VAL 78 CO -0.13 0.24 -0.20 0.00 0.02 0.00 0.00 177.57 177.50 3i39 h ALA 79 N 0.94 0.84 -0.40 1.67 0.00 -0.91 -1.77 119.26 119.62 3i39 h ALA 79 Ca 0.11 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3i39 h ALA 79 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i39 h ALA 79 CO -0.00 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 3i39 h ARG 80 N 0.74 0.73 -0.31 0.00 3.08 -0.92 -0.21 114.38 117.49 3i39 h ARG 80 Ca 0.10 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.94 3i39 h ARG 80 Cb 0.73 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3i39 h ARG 80 CO 0.06 0.82 0.14 0.78 -1.07 0.00 0.00 179.97 180.70 3i39 h GLY 81 N 0.55 0.41 0.98 0.04 0.00 -1.20 -1.84 103.07 102.01 3i39 h GLY 81 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3i39 h GLY 81 CO 0.02 0.07 0.20 -2.00 0.00 0.00 0.00 176.54 174.83 3i39 h LEU 82 N 0.30 0.74 -0.90 3.11 5.85 -1.18 -2.04 115.31 121.20 3i39 h LEU 82 Ca 0.13 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.78 3i39 h LEU 82 Cb 0.06 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 3i39 h LEU 82 CO -0.10 0.72 0.53 0.44 -0.34 0.00 0.00 178.44 179.69 3i39 h ASP 83 N 0.72 0.76 0.31 1.25 5.19 -0.84 -1.64 116.42 122.16 3i39 h ASP 83 Ca 0.17 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.54 3i39 h ASP 83 Cb 0.22 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3i39 h ASP 83 CO -0.01 0.41 -0.42 0.03 -3.12 0.00 0.00 179.24 176.13 3i39 h ARG 84 N 0.85 0.14 -0.62 3.56 3.08 -0.94 -0.94 114.38 119.51 3i39 h ARG 84 Ca 0.45 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 3i39 h ARG 84 Cb 0.45 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3i39 h ARG 84 CO -0.27 0.54 0.26 0.77 -1.07 0.00 0.00 179.97 180.20 3i39 h SER 85 N 0.12 0.84 -0.23 7.04 0.02 -0.62 -0.64 113.55 120.08 3i39 h SER 85 Ca 0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3i39 h SER 85 Cb 0.79 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3i39 h SER 85 CO 0.06 0.77 0.08 0.40 -1.14 0.00 0.00 176.83 177.00 3i39 h ILE 86 N 0.86 1.18 -0.70 3.27 2.04 -0.84 -1.28 117.51 122.03 3i39 h ILE 86 Ca 0.21 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.53 3i39 h ILE 86 Cb 0.18 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3i39 h ILE 86 CO -0.02 0.18 0.43 0.00 0.00 0.00 0.00 178.15 178.75 3i39 h ALA 87 N 0.91 0.92 -0.50 1.87 0.00 -0.92 -0.39 119.26 121.16 3i39 h ALA 87 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i39 h ALA 87 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3i39 h ALA 87 CO -0.00 0.20 0.32 0.00 0.00 0.00 0.00 179.25 179.76 3i39 h ALA 88 N 1.31 0.63 -0.72 0.00 0.00 -0.89 0.92 119.26 120.51 3i39 h ALA 88 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i39 h ALA 88 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3i39 h ALA 88 CO -0.12 0.04 0.46 0.78 0.00 0.00 0.00 179.25 180.42 3i39 h GLY 89 N 0.64 1.02 1.55 0.00 0.00 -0.84 -2.29 103.07 103.15 3i39 h GLY 89 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3i39 h GLY 89 CO -0.06 0.39 0.21 0.00 0.00 0.00 0.00 176.54 177.08 3i39 h ALA 90 N 1.25 1.57 -0.39 3.60 0.00 -0.77 -1.62 119.26 122.90 3i39 h ALA 90 Ca 0.26 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3i39 h ALA 90 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3i39 h ALA 90 CO -0.05 0.35 -0.23 0.00 0.00 0.00 0.00 179.25 179.32 3i39 h ALA 91 N 1.64 0.85 0.03 0.00 0.00 -0.40 -0.88 119.26 120.48 3i39 h ALA 91 Ca 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3i39 h ALA 91 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i39 h ALA 91 CO -0.02 0.64 -0.01 0.78 0.00 0.00 0.00 179.25 180.63 3i39 h GLY 92 N 0.95 -0.04 0.93 0.00 0.00 -0.78 -1.82 103.07 102.32 3i39 h GLY 92 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3i39 h GLY 92 CO 0.06 -0.01 0.07 0.45 0.00 0.00 0.00 176.54 177.11 3i39 h HIS 93 N -0.49 0.68 0.00 5.60 -0.00 -1.32 -1.99 115.15 117.62 3i39 h HIS 93 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 3i39 h HIS 93 Cb 0.46 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 3i39 h HIS 93 CO 0.08 0.67 0.00 0.66 -0.00 0.00 0.00 177.93 179.34 3i39 h SER 94 N 0.49 0.00 -0.17 2.45 4.64 -1.28 -2.15 113.55 117.53 3i39 h SER 94 Ca 0.12 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3i39 h SER 94 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3i39 h SER 94 CO 0.01 0.00 -0.22 1.23 -0.87 0.00 0.00 176.83 176.98 3i39 h GLY 95 N 3.67 0.50 0.33 -0.77 0.00 -1.09 0.13 103.07 105.84 3i39 h GLY 95 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 47.33 46.87 3i39 h GLY 95 CO 0.00 0.48 -0.03 0.84 0.00 0.00 0.00 176.54 177.84 3i39 h HIS 96 N 0.10 -0.07 -0.26 5.60 6.17 -1.31 -1.61 115.15 123.76 3i39 h HIS 96 Ca 0.02 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 3i39 h HIS 96 Cb 0.78 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.79 3i39 h HIS 96 CO 0.09 -0.10 0.09 0.00 0.71 0.00 0.00 177.93 178.71 3i39 h ALA 97 N 1.35 0.35 -0.68 5.26 0.00 -1.03 -2.44 119.26 122.07 3i39 h ALA 97 Ca 0.19 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3i39 h ALA 97 Cb 0.28 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3i39 h ALA 97 CO -0.34 -0.03 0.30 -0.22 0.00 0.00 0.00 179.25 178.96 3i39 h LYS 98 N 0.27 0.49 -0.78 0.00 3.64 -0.68 -0.26 116.57 119.25 3i39 h LYS 98 Ca 0.09 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3i39 h LYS 98 Cb 0.23 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3i39 h LYS 98 CO -0.00 0.32 0.49 1.25 -2.27 0.00 0.00 179.45 179.24 3i39 h HIS 99 N 0.50 0.92 -0.31 1.91 2.76 -1.01 -1.48 115.15 118.44 3i39 h HIS 99 Ca 0.34 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.45 3i39 h HIS 99 Cb 0.42 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3i39 h HIS 99 CO -0.14 0.53 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.74 3i39 h LEU 100 N 0.96 0.57 -0.48 0.26 3.38 -0.92 -1.26 115.31 117.83 3i39 h LEU 100 Ca 0.31 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3i39 h LEU 100 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3i39 h LEU 100 CO -0.12 0.78 0.08 0.00 0.09 0.00 0.00 178.44 179.28 3i39 h ALA 101 N 1.27 0.63 -0.52 1.53 0.00 -0.41 -0.46 119.26 121.29 3i39 h ALA 101 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3i39 h ALA 101 Cb 0.64 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3i39 h ALA 101 CO 0.05 0.35 0.21 0.45 0.00 0.00 0.00 179.25 180.30 3i39 h HIS 102 N 0.65 0.80 -0.46 0.00 3.86 -1.03 -2.04 115.15 116.93 3i39 h HIS 102 Ca 0.15 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3i39 h HIS 102 Cb 0.38 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 3i39 h HIS 102 CO 0.03 0.66 0.25 1.15 0.86 0.00 0.00 177.93 180.88 3i39 h THR 103 N 0.71 1.00 -0.36 2.45 2.02 -0.81 -1.59 112.91 116.33 3i39 h THR 103 Ca 0.17 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i39 h THR 103 Cb 0.20 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3i39 h THR 103 CO -0.01 0.09 0.23 0.25 0.37 0.00 0.00 175.52 176.44 3i39 h LEU 104 N 0.50 0.42 -0.11 2.58 5.85 -0.86 -0.35 115.31 123.34 3i39 h LEU 104 Ca 0.20 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3i39 h LEU 104 Cb 0.07 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3i39 h LEU 104 CO -0.12 0.32 -0.18 0.11 -0.34 0.00 0.00 178.44 178.23 3i39 h LYS 105 N 0.47 -0.24 -0.31 1.25 1.57 -1.22 -1.89 116.57 116.22 3i39 h LYS 105 Ca 0.13 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3i39 h LYS 105 Cb -0.03 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 3i39 h LYS 105 CO -0.03 -0.16 -0.13 0.87 -0.57 0.00 0.00 179.45 179.44 3i39 h LYS 106 N -0.24 -0.07 -0.42 3.15 1.57 -1.04 -1.47 116.57 118.05 3i39 h LYS 106 Ca 0.09 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3i39 h LYS 106 Cb 0.38 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 3i39 h LYS 106 CO -0.25 -0.05 -0.34 0.00 -0.57 0.00 0.00 179.45 178.25 3i39 h ALA 107 N 1.19 -0.20 -0.00 3.86 0.00 -0.64 -0.15 119.26 123.32 3i39 h ALA 107 Ca 0.16 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i39 h ALA 107 Cb 0.31 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i39 h ALA 107 CO -0.36 -0.74 -0.36 1.33 0.00 0.00 0.00 179.25 179.12 3i39 n VAL 108 N -5.42 0.00 1.38 0.00 0.24 -0.75 -2.30 118.33 111.48 3i39 n VAL 108 Ca 0.01 -0.03 0.14 0.00 -2.04 0.00 0.00 64.34 62.42 3i39 n VAL 108 Cb 0.34 0.16 0.51 0.00 -1.47 0.00 0.00 33.84 33.39 3i39 n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i39 n GLN 109 N -1.29 0.92 -0.98 7.34 6.02 -0.59 -4.93 117.38 123.87 3i39 n GLN 109 Ca 0.08 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 3i39 n GLN 109 Cb 0.33 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3i39 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i39 n GLY 110 N 1.28 0.40 0.88 1.08 0.00 -0.97 -4.95 105.19 102.91 3i39 n GLY 110 Ca 0.15 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.25 3i39 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i39 n LYS 111 N -2.98 2.19 -2.75 1.61 5.02 -0.09 -4.67 118.16 116.50 3i39 n LYS 111 Ca 0.00 -1.76 -0.04 0.00 -2.02 0.00 0.00 58.31 54.49 3i39 n LYS 111 Cb 0.00 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.55 3i39 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i39 n ALA 112 N 1.04 -2.18 1.58 7.82 0.00 -1.22 -4.34 120.51 123.22 3i39 n ALA 112 Ca 0.17 -0.86 0.12 0.00 0.00 0.00 0.00 53.44 52.87 3i39 n ALA 112 Cb 0.52 -1.78 0.73 0.00 0.00 0.00 0.00 19.45 18.92 3i39 n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i39 n ALA 113 N 2.84 2.44 0.84 0.00 0.00 -1.26 -1.54 120.51 123.83 3i39 n ALA 113 Ca 0.17 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3i39 n ALA 113 Cb 0.58 -1.40 0.53 0.00 0.00 0.00 0.00 19.45 19.16 3i39 n ALA 113 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i39 n SER 114 N -0.98 0.06 -4.38 0.00 7.64 -1.26 -4.76 113.62 109.93 3i39 n SER 114 Ca 0.18 0.51 -0.27 0.00 1.01 0.00 0.00 58.87 60.30 3i39 n SER 114 Cb 0.08 -0.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 3i39 n SER 114 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3i39 s TYR 115 N -3.01 2.19 0.21 1.43 1.51 -0.59 -5.04 117.35 114.05 3i39 s TYR 115 Ca 0.12 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.56 3i39 s TYR 115 Cb 0.16 -1.15 0.05 0.00 -0.11 0.00 0.00 41.96 40.91 3i39 s TYR 115 CO 0.46 0.37 0.87 0.00 -1.11 0.00 0.00 175.55 176.15 3i39 s MET 116 N -2.29 1.47 -0.70 -0.62 0.23 -1.26 -4.76 119.30 111.37 3i39 s MET 116 Ca 0.15 -0.83 -0.27 0.00 -1.03 0.00 0.00 55.69 53.71 3i39 s MET 116 Cb -0.09 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.73 3i39 s MET 116 CO 0.07 -0.68 1.29 0.42 -2.03 0.00 0.00 175.02 174.09 3i39 s ILE 117 N -3.40 3.77 -0.06 3.16 1.01 -1.26 -4.38 121.20 120.03 3i39 s ILE 117 Ca 0.13 0.51 -0.07 0.00 0.00 0.00 0.00 60.65 61.22 3i39 s ILE 117 Cb -0.03 -4.83 -0.28 0.00 0.01 0.00 0.00 42.46 37.33 3i39 s ILE 117 CO 0.05 -1.70 0.60 0.11 0.00 0.00 0.00 174.94 174.00 3i39 h LYS 118 N 10.15 0.30 -3.72 2.79 1.57 -1.24 -3.43 116.57 123.00 3i39 h LYS 118 Ca -0.27 -0.52 -0.73 0.00 -1.87 0.00 0.00 60.65 57.26 3i39 h LYS 118 Cb 1.06 0.19 -0.31 0.00 0.08 0.00 0.00 32.23 33.24 3i39 h LYS 118 CO 1.26 1.19 -0.20 0.34 -0.57 0.00 0.00 179.45 181.47 3i39 s ASP 119 N -7.08 5.83 0.25 0.86 -1.08 -0.76 -4.86 116.67 109.84 3i39 s ASP 119 Ca -0.16 -2.74 0.07 0.00 -0.52 0.00 0.00 52.55 49.21 3i39 s ASP 119 Cb 0.06 -2.00 0.27 0.00 -1.46 0.00 0.00 42.92 39.80 3i39 s ASP 119 CO 0.82 -0.46 1.56 -0.09 0.52 0.00 0.00 175.17 177.52 3i39 h ARG 120 N 7.40 0.12 -0.51 4.34 2.43 -1.87 -2.20 114.38 124.08 3i39 h ARG 120 Ca 0.02 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3i39 h ARG 120 Cb 0.99 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3i39 h ARG 120 CO 0.74 0.72 -0.01 1.15 -1.51 0.00 0.00 179.97 181.05 3i39 h THR 121 N 0.08 1.25 -0.42 0.20 2.02 -2.00 -1.27 112.91 112.77 3i39 h THR 121 Ca -0.01 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 3i39 h THR 121 Cb 1.15 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3i39 h THR 121 CO 0.09 0.38 -0.04 0.50 0.37 0.00 0.00 175.52 176.82 3i39 h LYS 122 N 0.81 0.78 -0.00 6.66 1.63 -1.89 -1.63 116.57 122.93 3i39 h LYS 122 Ca 0.15 -0.27 0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3i39 h LYS 122 Cb 0.50 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 3i39 h LYS 122 CO 0.02 0.87 -0.13 1.25 -3.45 0.00 0.00 179.45 178.02 3i39 h LEU 123 N 0.61 -0.38 -0.98 5.20 5.85 -1.08 -0.28 115.31 124.25 3i39 h LEU 123 Ca 0.11 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3i39 h LEU 123 Cb 0.55 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3i39 h LEU 123 CO 0.03 -0.18 -0.02 0.45 -0.34 0.00 0.00 178.44 178.37 3i39 h HIS 124 N -0.22 0.76 -0.36 1.25 3.86 -0.96 -1.39 115.15 118.08 3i39 h HIS 124 Ca 0.05 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 59.03 3i39 h HIS 124 Cb 0.28 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3i39 h HIS 124 CO -0.19 0.73 -0.26 0.66 0.86 0.00 0.00 177.93 179.72 3i39 h SER 125 N 0.67 0.85 0.04 2.45 4.64 -0.87 -1.09 113.55 120.24 3i39 h SER 125 Ca 0.13 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3i39 h SER 125 Cb 0.45 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3i39 h SER 125 CO 0.02 1.11 -0.05 0.40 -0.87 0.00 0.00 176.83 177.44 3i39 h ILE 126 N 0.60 0.89 -0.87 0.95 2.04 -0.98 -1.61 117.51 118.52 3i39 h ILE 126 Ca 0.07 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.10 3i39 h ILE 126 Cb 0.83 0.89 -0.10 0.00 -0.74 0.00 0.00 36.82 37.70 3i39 h ILE 126 CO 0.07 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.66 3i39 h ALA 127 N 0.86 1.35 -0.03 1.87 0.00 -1.06 -1.38 119.26 120.87 3i39 h ALA 127 Ca 0.01 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3i39 h ALA 127 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3i39 h ALA 127 CO -0.02 -0.15 -0.55 -0.22 0.00 0.00 0.00 179.25 178.32 3i39 h LYS 128 N 0.58 0.07 -0.13 0.00 3.64 -0.89 0.34 116.57 120.19 3i39 h LYS 128 Ca 0.50 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.71 3i39 h LYS 128 Cb 0.77 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3i39 h LYS 128 CO -0.40 0.60 -0.43 -0.09 -2.27 0.00 0.00 179.45 176.86 3i39 h ARG 129 N 0.06 0.31 0.00 1.90 2.43 -0.29 -1.95 114.38 116.84 3i39 h ARG 129 Ca -0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3i39 h ARG 129 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3i39 h ARG 129 CO 0.08 0.69 -0.26 1.28 -1.51 0.00 0.00 179.97 180.25 3i39 n LEU 130 N -4.01 0.47 0.00 3.80 4.77 -0.71 -4.91 117.00 116.41 3i39 n LEU 130 Ca -0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3i39 n LEU 130 Cb 0.50 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3i39 n LEU 130 CO 0.43 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3i39 n GLY 131 N 1.41 0.44 3.70 -0.72 0.00 -0.73 -5.03 105.19 104.27 3i39 n GLY 131 Ca 0.05 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 3i39 n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i39 s ILE 132 N -2.00 5.05 0.34 -0.61 1.01 0.11 -5.00 121.20 120.10 3i39 s ILE 132 Ca 0.00 1.33 -0.26 0.00 0.00 0.00 0.00 60.65 61.71 3i39 s ILE 132 Cb 0.00 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 3i39 s ILE 132 CO 0.00 0.21 1.05 -2.84 0.00 0.00 0.00 174.94 173.36 3i39 s PRO 133 N 1.14 4.42 -0.00 2.79 0.02 -1.26 -4.16 135.00 137.95 3i39 s PRO 133 Ca 0.34 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3i39 s PRO 133 Cb -0.17 -2.84 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 3i39 s PRO 133 CO 0.15 0.07 0.00 0.25 -0.33 0.00 0.00 177.00 177.14 3i39 n THR 134 N 0.53 0.01 -1.68 0.99 -2.24 -1.26 -4.88 114.28 105.75 3i39 n THR 134 Ca 0.02 -0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.33 3i39 n THR 134 Cb 0.48 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 3i39 n THR 134 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i39 n GLU 135 N -2.04 2.27 -0.99 -0.78 2.13 -1.26 -1.13 120.64 118.84 3i39 n GLU 135 Ca -0.00 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3i39 n GLU 135 Cb 0.50 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.56 3i39 n GLU 135 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i39 n GLY 136 N 3.98 0.42 3.82 8.31 0.00 -1.26 -5.03 105.19 115.44 3i39 n GLY 136 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3i39 n GLY 136 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i39 s GLN 137 N -0.40 3.19 0.56 1.61 -1.52 -0.28 -5.08 119.66 117.74 3i39 s GLN 137 Ca 0.00 -0.42 -0.19 0.00 -1.95 0.00 0.00 55.36 52.79 3i39 s GLN 137 Cb 0.00 -2.94 -0.05 0.00 -0.22 0.00 0.00 33.01 29.80 3i39 s GLN 137 CO 0.00 0.66 1.17 0.15 -0.25 0.00 0.00 175.29 177.02 3i39 s LYS 138 N -1.78 3.22 0.23 2.91 1.02 -1.26 -4.89 119.74 119.19 3i39 s LYS 138 Ca 0.24 1.72 -0.07 0.00 0.02 0.00 0.00 55.97 57.89 3i39 s LYS 138 Cb -0.12 -2.00 0.39 0.00 -0.52 0.00 0.00 37.83 35.57 3i39 s LYS 138 CO 0.15 -0.98 1.72 -0.44 -0.92 0.00 0.00 175.35 174.88 3i39 h ASP 139 N 1.13 0.17 0.06 2.83 3.32 -1.98 -0.07 116.42 121.88 3i39 h ASP 139 Ca -0.50 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 3i39 h ASP 139 Cb 1.28 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 3i39 h ASP 139 CO 0.56 0.07 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.68 3i39 h GLU 140 N 0.38 0.19 -0.08 3.56 3.07 -1.92 -0.20 114.58 119.58 3i39 h GLU 140 Ca 0.37 -0.04 -0.23 0.00 -0.50 0.00 0.00 59.36 58.96 3i39 h GLU 140 Cb 0.55 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3i39 h GLU 140 CO -0.40 0.34 -0.84 -0.44 -1.40 0.00 0.00 179.01 176.28 3i39 h ASP 141 N 0.18 0.88 -0.33 1.42 5.19 -1.42 0.19 116.42 122.53 3i39 h ASP 141 Ca 0.04 -0.68 -0.02 0.00 -0.62 0.00 0.00 57.03 55.74 3i39 h ASP 141 Cb 0.37 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 3i39 h ASP 141 CO 0.02 1.43 0.12 0.40 -3.12 0.00 0.00 179.24 178.09 3i39 h ILE 142 N 0.40 1.20 -0.14 0.35 2.04 -1.16 -1.26 117.51 118.93 3i39 h ILE 142 Ca -0.08 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.17 3i39 h ILE 142 Cb 1.49 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3i39 h ILE 142 CO 0.17 0.22 0.02 0.00 0.00 0.00 0.00 178.15 178.55 3i39 h ALA 143 N 0.96 0.13 -0.61 1.87 0.00 -0.88 0.69 119.26 121.42 3i39 h ALA 143 Ca 0.11 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3i39 h ALA 143 Cb 0.22 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 3i39 h ALA 143 CO -0.01 -0.43 0.13 1.25 0.00 0.00 0.00 179.25 180.19 3i39 h LEU 144 N 0.07 -0.00 -0.92 0.00 5.85 -0.38 0.01 115.31 119.94 3i39 h LEU 144 Ca 0.06 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3i39 h LEU 144 Cb 0.07 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3i39 h LEU 144 CO -0.10 0.00 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.37 3i39 h GLU 145 N 0.26 0.43 -0.33 1.25 4.39 -0.45 0.34 114.58 120.47 3i39 h GLU 145 Ca 0.32 -0.18 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 3i39 h GLU 145 Cb 0.48 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3i39 h GLU 145 CO -0.41 0.69 -0.38 0.28 -1.16 0.00 0.00 179.01 178.03 3i39 h VAL 146 N 0.38 1.28 -0.48 3.13 2.07 -0.20 -0.22 116.25 122.21 3i39 h VAL 146 Ca 0.05 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 3i39 h VAL 146 Cb 0.72 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3i39 h VAL 146 CO 0.06 0.51 -0.11 0.00 0.02 0.00 0.00 177.57 178.05 3i39 h ALA 147 N 0.92 0.66 -0.46 1.67 0.00 -0.73 -0.15 119.26 121.16 3i39 h ALA 147 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3i39 h ALA 147 Cb 0.93 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3i39 h ALA 147 CO 0.09 0.55 0.26 0.87 0.00 0.00 0.00 179.25 181.02 3i39 h LYS 148 N 0.76 0.64 -0.83 0.00 1.57 -0.68 -1.28 116.57 116.75 3i39 h LYS 148 Ca 0.12 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3i39 h LYS 148 Cb 0.66 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3i39 h LYS 148 CO 0.05 0.50 0.54 0.00 -0.57 0.00 0.00 179.45 179.97 3i39 h ALA 149 N 1.11 1.05 -0.24 3.86 0.00 -0.70 -0.06 119.26 124.29 3i39 h ALA 149 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i39 h ALA 149 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3i39 h ALA 149 CO -0.03 0.44 0.14 0.00 0.00 0.00 0.00 179.25 179.80 3i39 h ALA 150 N 1.31 0.30 -0.30 0.00 0.00 -0.73 -2.53 119.26 117.31 3i39 h ALA 150 Ca 0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3i39 h ALA 150 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i39 h ALA 150 CO -0.07 -0.18 -0.13 -0.07 0.00 0.00 0.00 179.25 178.79 3i39 h LEU 151 N 0.28 0.50 -2.03 0.00 3.38 -0.99 -2.55 115.31 113.90 3i39 h LEU 151 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3i39 h LEU 151 Cb 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i39 h LEU 151 CO -0.01 0.66 -0.09 0.00 0.09 0.00 0.00 178.44 179.09 3i39 h ALA 152 N 1.39 1.54 0.00 1.53 0.00 -0.61 -2.37 119.26 120.74 3i39 h ALA 152 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i39 h ALA 152 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i39 h ALA 152 CO 0.03 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 3i39 n ASP 153 N -3.97 0.00 0.09 0.00 8.00 -0.96 -2.44 116.55 117.27 3i39 n ASP 153 Ca -0.02 0.40 0.13 0.00 0.71 0.00 0.00 54.79 56.01 3i39 n ASP 153 Cb 0.18 -0.46 0.43 0.00 -0.02 0.00 0.00 41.12 41.25 3i39 n ASP 153 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i39 n PHE 154 N -1.46 0.82 -4.36 1.24 3.72 -0.89 -0.38 117.46 116.15 3i39 n PHE 154 Ca 0.06 0.24 -0.18 0.00 -0.05 0.00 0.00 57.45 57.52 3i39 n PHE 154 Cb 0.23 -0.90 -0.10 0.00 -0.94 0.00 0.00 39.48 37.77 3i39 n PHE 154 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 3i39 s HIS 155 N -3.10 1.66 0.55 1.38 -3.43 -1.02 -0.88 115.29 110.45 3i39 s HIS 155 Ca 0.11 -1.02 -0.21 0.00 -0.80 0.00 0.00 55.06 53.14 3i39 s HIS 155 Cb 0.13 -1.01 -0.05 0.00 -1.43 0.00 0.00 32.58 30.22 3i39 s HIS 155 CO 0.57 -0.13 1.27 -1.21 -2.00 0.00 0.00 174.74 173.24 3i39 s GLU 156 N -3.93 3.17 0.00 -0.38 2.02 -1.26 -4.45 118.70 113.87 3i39 s GLU 156 Ca 0.34 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.33 3i39 s GLU 156 Cb 0.07 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3i39 s GLU 156 CO 0.12 -1.09 0.00 0.36 0.02 0.00 0.00 175.26 174.67 3i39 n LYS 157 N -1.15 0.00 0.00 1.61 2.85 -1.26 -5.03 118.16 115.17 3i39 n LYS 157 Ca 0.11 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.51 3i39 n LYS 157 Cb 0.47 0.00 0.58 0.00 -0.65 0.00 0.00 35.03 35.44 3i39 n LYS 157 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3i39 n ASP 158 N -0.33 0.22 -4.45 -5.58 3.85 -1.26 -4.71 116.55 104.29 3i39 n ASP 158 Ca 0.00 -0.06 -0.23 0.00 -0.71 0.00 0.00 54.79 53.78 3i39 n ASP 158 Cb 0.00 -0.21 -0.10 0.00 -1.35 0.00 0.00 41.12 39.46 3i39 n ASP 158 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3i39 s THR 159 N -2.76 2.38 0.99 2.12 -4.23 -1.26 -5.15 115.64 107.73 3i39 s THR 159 Ca 0.21 -2.37 -0.17 0.00 -1.18 0.00 0.00 61.69 58.18 3i39 s THR 159 Cb 0.19 -2.26 0.24 0.00 1.34 0.00 0.00 72.50 72.01 3i39 s THR 159 CO 0.53 -0.41 1.05 -0.81 -0.54 0.00 0.00 174.62 174.43 3i39 n PRO 160 N -0.56 -2.18 -1.83 3.99 -0.04 -1.26 -4.91 135.00 128.22 3i39 n PRO 160 Ca -0.06 -1.65 -0.43 0.00 -0.04 0.00 0.00 63.50 61.33 3i39 n PRO 160 Cb 0.60 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 3i39 n PRO 160 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i39 s VAL 161 N -3.07 3.28 0.37 0.52 1.01 -1.04 -4.86 120.40 116.61 3i39 s VAL 161 Ca 0.64 0.31 0.11 0.00 0.00 0.00 0.00 61.98 63.04 3i39 s VAL 161 Cb -0.04 -3.33 0.10 0.00 0.00 0.00 0.00 36.38 33.11 3i39 s VAL 161 CO 0.47 -0.17 1.83 -0.07 0.00 0.00 0.00 175.10 177.16 3i39 h LEU 162 N 13.30 0.09 0.00 3.92 3.38 -1.92 -1.21 115.31 132.86 3i39 h LEU 162 Ca -0.39 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3i39 h LEU 162 Cb 1.20 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3i39 h LEU 162 CO 0.98 0.41 0.00 0.79 0.09 0.00 0.00 178.44 180.71 3i39 n TRP 163 N -4.13 0.00 -0.05 1.13 8.01 -1.26 -0.89 117.44 120.25 3i39 n TRP 163 Ca -0.02 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.12 3i39 n TRP 163 Cb 0.38 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.66 3i39 n TRP 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 3i39 n VAL 164 N -0.67 1.14 0.27 -0.99 0.31 -0.70 -4.24 118.33 113.45 3i39 n VAL 164 Ca 0.07 0.24 0.14 0.00 -0.01 0.00 0.00 64.34 64.78 3i39 n VAL 164 Cb 0.03 -2.03 0.72 0.00 -0.91 0.00 0.00 33.84 31.65 3i39 n VAL 164 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3i39 h THR 165 N -0.63 0.42 -0.01 2.52 1.35 -1.13 -2.59 112.91 112.83 3i39 h THR 165 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3i39 h THR 165 Cb 0.63 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3i39 h THR 165 CO 0.00 0.11 -0.18 0.35 -0.25 0.00 0.00 175.52 175.55 3i39 n THR 166 N -3.45 0.00 0.31 6.82 -2.24 -0.06 -4.31 114.28 111.34 3i39 n THR 166 Ca -0.01 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.58 3i39 n THR 166 Cb 0.27 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 3i39 n THR 166 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3i39 n VAL 167 N -0.08 0.00 -4.02 2.28 0.24 -0.99 -4.99 118.33 110.78 3i39 n VAL 167 Ca 0.14 -0.32 -0.22 0.00 -2.04 0.00 0.00 64.34 61.90 3i39 n VAL 167 Cb 0.39 0.95 -0.05 0.00 -1.47 0.00 0.00 33.84 33.66 3i39 n VAL 167 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i39 s LEU 168 N -2.42 3.50 0.62 1.34 1.43 -1.14 -4.86 118.68 117.15 3i39 s LEU 168 Ca 0.02 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 3i39 s LEU 168 Cb 0.05 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 3i39 s LEU 168 CO 0.29 -0.23 1.28 -2.84 0.23 0.00 0.00 176.35 175.09 3i39 s PRO 169 N -3.88 2.72 0.39 1.29 0.02 -1.26 -4.72 135.00 129.55 3i39 s PRO 169 Ca 0.37 2.03 0.08 0.00 0.02 0.00 0.00 61.00 63.50 3i39 s PRO 169 Cb -0.05 -1.91 0.83 0.00 0.02 0.00 0.00 34.50 33.39 3i39 s PRO 169 CO 0.24 -1.46 1.98 -1.35 -0.33 0.00 0.00 177.00 176.08 3i39 h PRO 170 N 0.73 0.62 -0.54 5.54 0.11 -1.99 -0.63 132.00 135.84 3i39 h PRO 170 Ca -0.51 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 3i39 h PRO 170 Cb 1.32 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3i39 h PRO 170 CO 0.54 0.41 0.05 0.66 -0.21 0.00 0.00 178.00 179.45 3i39 h SER 171 N 0.64 0.84 -0.46 -2.05 4.64 -1.98 0.49 113.55 115.68 3i39 h SER 171 Ca 0.28 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 3i39 h SER 171 Cb 0.29 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3i39 h SER 171 CO -0.09 0.88 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.65 3i39 h ARG 172 N 0.83 0.81 -0.82 4.77 9.65 -1.52 -1.94 114.38 126.15 3i39 h ARG 172 Ca 0.17 -0.26 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 3i39 h ARG 172 Cb 0.42 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.89 3i39 h ARG 172 CO 0.01 0.87 0.55 0.28 2.80 0.00 0.00 179.97 184.48 3i39 h VAL 173 N 0.66 1.21 -0.35 0.20 2.07 -0.72 -0.53 116.25 118.79 3i39 h VAL 173 Ca 0.13 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3i39 h VAL 173 Cb 0.51 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3i39 h VAL 173 CO 0.03 0.20 -0.38 0.50 0.02 0.00 0.00 177.57 177.94 3i39 h LYS 174 N 1.11 0.83 -0.63 1.57 3.64 -0.79 0.18 116.57 122.47 3i39 h LYS 174 Ca 0.30 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 3i39 h LYS 174 Cb -0.12 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3i39 h LYS 174 CO -0.07 1.06 0.06 0.28 -2.27 0.00 0.00 179.45 178.51 3i39 h VAL 175 N 0.68 1.26 -0.17 2.00 2.07 -0.82 -1.21 116.25 120.07 3i39 h VAL 175 Ca 0.06 -1.09 -0.20 0.00 0.82 0.00 0.00 66.70 66.29 3i39 h VAL 175 Cb 0.95 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3i39 h VAL 175 CO 0.09 0.40 -0.69 -0.07 0.02 0.00 0.00 177.57 177.32 3i39 h LEU 176 N 0.99 0.89 -0.80 2.57 3.38 -0.73 -2.79 115.31 118.82 3i39 h LEU 176 Ca 0.19 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.58 3i39 h LEU 176 Cb 0.50 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3i39 h LEU 176 CO 0.02 1.36 0.51 -1.28 0.09 0.00 0.00 178.44 179.14 3i39 h SER 177 N 0.48 0.83 -0.08 -0.43 0.87 -0.47 -0.33 113.55 114.43 3i39 h SER 177 Ca -0.04 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3i39 h SER 177 Cb 1.31 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3i39 h SER 177 CO 0.14 0.57 0.06 0.00 -0.53 0.00 0.00 176.83 177.07 3i39 h ALA 178 N 1.34 1.97 -0.19 6.23 0.00 -0.95 -1.39 119.26 126.27 3i39 h ALA 178 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i39 h ALA 178 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i39 h ALA 178 CO -0.12 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.74 3i39 n HIS 179 N -4.36 0.23 -2.26 0.00 -0.00 -0.60 -4.96 115.22 103.28 3i39 n HIS 179 Ca -0.01 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.72 57.50 3i39 n HIS 179 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.16 3i39 n HIS 179 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i39 n GLY 180 N 1.37 -0.00 0.01 -1.41 0.00 -0.53 -4.94 105.19 99.68 3i39 n GLY 180 Ca 0.17 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.84 3i39 n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i39 n LEU 181 N -1.50 0.73 -4.68 0.99 4.77 -0.23 -4.88 117.00 112.19 3i39 n LEU 181 Ca -0.10 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 3i39 n LEU 181 Cb 0.58 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3i39 n LEU 181 CO 0.15 0.16 1.10 -0.63 -1.33 0.00 0.00 177.39 176.84 3i39 s ILE 182 N -3.05 3.94 0.50 -0.08 -1.09 -1.26 -4.30 121.20 115.86 3i39 s ILE 182 Ca 0.08 1.26 -0.22 0.00 -2.23 0.00 0.00 60.65 59.53 3i39 s ILE 182 Cb 0.16 -3.81 -0.06 0.00 -1.58 0.00 0.00 42.46 37.17 3i39 s ILE 182 CO 0.80 -0.04 1.23 -2.16 -1.23 0.00 0.00 174.94 173.54 3i39 s PRO 183 N 2.77 3.50 0.12 2.79 0.04 -1.26 -4.94 135.00 138.03 3i39 s PRO 183 Ca 0.61 1.93 0.15 0.00 0.04 0.00 0.00 61.00 63.74 3i39 s PRO 183 Cb -0.28 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 3i39 s PRO 183 CO 0.23 -0.81 1.02 0.00 0.04 0.00 0.00 177.00 177.49 3i39 h ALA 184 N 1.78 0.64 -1.22 8.56 0.00 -1.94 -2.76 119.26 124.33 3i39 h ALA 184 Ca -0.50 -0.78 0.17 0.00 0.00 0.00 0.00 54.91 53.80 3i39 h ALA 184 Cb 1.27 0.16 -0.29 0.00 0.00 0.00 0.00 17.79 18.93 3i39 h ALA 184 CO 0.59 0.90 0.79 0.20 0.00 0.00 0.00 179.25 181.73 3i39 s GLY 185 N -4.71 0.12 0.02 0.00 0.00 -1.26 -4.15 107.32 97.35 3i39 s GLY 185 Ca -0.01 3.01 -0.27 0.00 0.00 0.00 0.00 44.72 47.46 3i39 s GLY 185 CO 0.79 1.59 1.28 -2.22 0.00 0.00 0.00 173.10 174.54 3i39 h ILE 186 N 2.82 0.39 -0.01 0.90 2.04 -0.49 -1.26 117.51 121.91 3i39 h ILE 186 Ca -0.21 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.18 3i39 h ILE 186 Cb 1.19 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3i39 h ILE 186 CO 0.19 0.05 -0.51 0.44 0.00 0.00 0.00 178.15 178.33 3i39 h ASP 187 N -0.94 0.04 -0.51 1.72 3.32 -1.27 -2.53 116.42 116.25 3i39 h ASP 187 Ca -0.07 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.05 3i39 h ASP 187 Cb 0.61 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.07 3i39 h ASP 187 CO 0.12 0.54 0.04 -0.74 -1.72 0.00 0.00 179.24 177.49 3i39 h HIS 188 N 0.03 0.05 -0.41 4.55 -0.00 -1.41 -0.85 115.15 117.11 3i39 h HIS 188 Ca -0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.27 3i39 h HIS 188 Cb 0.91 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 3i39 h HIS 188 CO 0.00 -0.07 -0.25 0.93 -0.00 0.00 0.00 177.93 178.53 3i39 h GLU 189 N 0.17 0.85 -0.09 5.26 4.39 -0.91 -0.69 114.58 123.56 3i39 h GLU 189 Ca 0.26 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.60 3i39 h GLU 189 Cb 0.38 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3i39 h GLU 189 CO -0.39 1.01 0.01 0.82 -1.16 0.00 0.00 179.01 179.30 3i39 h ILE 190 N 0.73 0.95 -0.56 3.13 2.04 -1.21 -0.30 117.51 122.31 3i39 h ILE 190 Ca 0.09 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3i39 h ILE 190 Cb 0.80 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3i39 h ILE 190 CO 0.07 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.53 3i39 h ALA 191 N 1.07 0.71 -0.61 1.87 0.00 -1.06 -2.16 119.26 119.07 3i39 h ALA 191 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i39 h ALA 191 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i39 h ALA 191 CO -0.06 0.23 0.30 1.49 0.00 0.00 0.00 179.25 181.21 3i39 h GLU 192 N 0.75 0.86 -0.35 0.00 4.81 -0.65 -0.98 114.58 119.01 3i39 h GLU 192 Ca 0.20 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3i39 h GLU 192 Cb 0.04 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3i39 h GLU 192 CO -0.03 0.66 0.15 0.82 -0.73 0.00 0.00 179.01 179.88 3i39 h ILE 193 N 0.86 1.18 -0.63 2.32 1.08 -0.75 0.86 117.51 122.42 3i39 h ILE 193 Ca 0.21 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 3i39 h ILE 193 Cb 0.08 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 3i39 h ILE 193 CO -0.03 0.20 0.23 0.24 -0.69 0.00 0.00 178.15 178.09 3i39 h MET 194 N 0.42 0.94 0.66 2.37 2.86 -0.78 -1.63 114.93 119.78 3i39 h MET 194 Ca 0.12 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3i39 h MET 194 Cb 0.17 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.68 3i39 h MET 194 CO -0.01 0.79 -0.32 1.25 1.06 0.00 0.00 176.91 179.68 3i39 h HIS 195 N 0.92 -0.83 -0.00 -0.22 -0.00 -0.99 -2.88 115.15 111.15 3i39 h HIS 195 Ca 0.21 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 3i39 h HIS 195 Cb 0.22 0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.90 3i39 h HIS 195 CO 0.02 -0.51 0.01 0.07 -0.00 0.00 0.00 177.93 177.51 3i39 h ARG 196 N -1.09 0.00 -0.01 5.26 0.11 -0.61 -1.52 114.38 116.53 3i39 h ARG 196 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3i39 h ARG 196 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 3i39 h ARG 196 CO 0.15 0.00 -0.49 0.25 0.10 0.00 0.00 179.97 179.98 3i39 n THR 197 N -3.57 0.00 -1.37 0.08 -2.24 -0.63 -1.02 114.28 105.53 3i39 n THR 197 Ca -0.03 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 3i39 n THR 197 Cb 0.08 0.69 0.11 0.00 -2.10 0.00 0.00 70.33 69.11 3i39 n THR 197 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i39 s SER 198 N -2.69 4.17 0.32 3.42 1.04 -0.57 -4.93 113.70 114.46 3i39 s SER 198 Ca 0.17 1.49 -0.28 0.00 0.48 0.00 0.00 55.95 57.81 3i39 s SER 198 Cb 0.18 -2.21 -0.13 0.00 0.10 0.00 0.00 66.02 63.96 3i39 s SER 198 CO 0.63 -2.20 1.26 0.80 0.98 0.00 0.00 173.24 174.71 3i39 n MET 199 N -3.60 2.01 -1.18 4.02 1.56 -1.26 -3.00 117.12 115.68 3i39 n MET 199 Ca 0.07 0.71 -0.06 0.00 -0.27 0.00 0.00 57.70 58.15 3i39 n MET 199 Cb 0.55 -2.27 -0.03 0.00 2.15 0.00 0.00 33.22 33.63 3i39 n MET 199 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i39 n GLY 200 N 0.97 0.86 0.00 -5.12 0.00 -1.26 -4.97 105.19 95.66 3i39 n GLY 200 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3i39 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i39 s ASP 202 N 0.14 7.00 -0.32 0.00 2.15 -0.19 -4.89 116.67 120.56 3i39 s ASP 202 Ca 0.00 2.12 0.17 0.00 0.43 0.00 0.00 52.55 55.28 3i39 s ASP 202 Cb 0.00 -2.58 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 3i39 s ASP 202 CO 0.00 -0.52 1.11 0.00 -0.17 0.00 0.00 175.17 175.58 3i39 n ALA 203 N 3.86 2.81 -3.69 3.66 0.00 -1.26 -4.83 120.51 121.07 3i39 n ALA 203 Ca 0.09 -2.57 -0.21 0.00 0.00 0.00 0.00 53.44 50.76 3i39 n ALA 203 Cb 0.45 -0.92 -0.18 0.00 0.00 0.00 0.00 19.45 18.80 3i39 n ALA 203 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i39 s ASP 204 N -2.83 1.36 0.20 0.00 2.15 -1.26 -4.95 116.67 111.34 3i39 s ASP 204 Ca 0.25 -0.02 -0.11 0.00 0.43 0.00 0.00 52.55 53.10 3i39 s ASP 204 Cb 0.41 -0.23 0.18 0.00 -0.30 0.00 0.00 42.92 42.99 3i39 s ASP 204 CO -0.02 -0.24 1.82 0.00 -0.17 0.00 0.00 175.17 176.56 3i39 h ALA 205 N 8.41 0.82 0.01 3.66 0.00 -1.95 0.48 119.26 130.68 3i39 h ALA 205 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i39 h ALA 205 Cb 1.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3i39 h ALA 205 CO 0.19 0.07 -0.05 0.37 0.00 0.00 0.00 179.25 179.83 3i39 h GLN 206 N 0.69 -0.09 -0.28 0.00 4.15 -1.97 0.12 115.11 117.75 3i39 h GLN 206 Ca 0.27 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.71 3i39 h GLN 206 Cb 0.10 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3i39 h GLN 206 CO -0.14 -0.06 0.13 -0.97 -1.93 0.00 0.00 178.83 175.86 3i39 h ASN 207 N -0.09 0.18 -0.71 -0.69 -1.24 -1.88 -0.71 115.58 110.44 3i39 h ASN 207 Ca 0.02 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.07 3i39 h ASN 207 Cb 0.11 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 3i39 h ASN 207 CO -0.04 0.14 0.45 -0.07 -1.29 0.00 0.00 177.43 176.62 3i39 h LEU 208 N 0.27 0.75 -0.38 0.34 3.38 -0.58 -2.23 115.31 116.86 3i39 h LEU 208 Ca 0.12 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3i39 h LEU 208 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3i39 h LEU 208 CO -0.09 0.53 -0.58 -0.07 0.09 0.00 0.00 178.44 178.31 3i39 h LEU 209 N 0.90 0.00 -0.80 1.67 3.38 -0.68 -1.61 115.31 118.16 3i39 h LEU 209 Ca 0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 3i39 h LEU 209 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3i39 h LEU 209 CO -0.10 0.58 0.15 -0.07 0.09 0.00 0.00 178.44 179.10 3i39 h LEU 210 N 0.00 1.00 -0.87 1.67 3.38 -0.95 0.01 115.31 119.55 3i39 h LEU 210 Ca -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3i39 h LEU 210 Cb 1.28 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3i39 h LEU 210 CO 0.08 0.96 0.38 1.23 0.09 0.00 0.00 178.44 181.18 3i39 h GLY 211 N 1.06 1.29 0.99 0.83 0.00 -0.83 -1.56 103.07 104.85 3i39 h GLY 211 Ca 0.21 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.89 3i39 h GLY 211 CO 0.00 0.62 0.39 -1.33 0.00 0.00 0.00 176.54 176.22 3i39 h GLY 212 N 1.20 0.83 0.75 4.60 0.00 -0.35 -0.43 103.07 109.66 3i39 h GLY 212 Ca 0.28 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.34 3i39 h GLY 212 CO -0.03 0.29 0.03 1.41 0.00 0.00 0.00 176.54 178.24 3i39 h LEU 213 N 0.78 -0.02 -0.58 3.11 3.38 -0.63 -0.28 115.31 121.08 3i39 h LEU 213 Ca 0.22 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3i39 h LEU 213 Cb -0.08 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3i39 h LEU 213 CO -0.05 0.02 0.32 -0.09 0.09 0.00 0.00 178.44 178.73 3i39 h ARG 214 N 0.10 0.60 0.00 1.13 2.43 -0.94 -2.24 114.38 115.46 3i39 h ARG 214 Ca 0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3i39 h ARG 214 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3i39 h ARG 214 CO -0.13 0.40 -0.20 0.00 -1.51 0.00 0.00 179.97 178.53 3i39 h SER 216 N 0.00 0.00 0.68 0.00 4.64 -0.48 -1.31 113.55 117.08 3i39 h SER 216 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3i39 h SER 216 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3i39 h SER 216 CO 0.03 0.47 -0.73 -0.07 -0.87 0.00 0.00 176.83 175.66 3i39 h LEU 217 N 0.00 0.05 -1.26 5.97 3.38 -0.88 -0.52 115.31 122.04 3i39 h LEU 217 Ca -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3i39 h LEU 217 Cb 0.96 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3i39 h LEU 217 CO 0.06 0.76 0.21 0.00 0.09 0.00 0.00 178.44 179.56 3i39 h ALA 218 N 1.24 1.42 -0.22 1.53 0.00 -0.89 -0.62 119.26 121.71 3i39 h ALA 218 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3i39 h ALA 218 Cb 1.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i39 h ALA 218 CO 0.10 0.44 0.03 0.22 0.00 0.00 0.00 179.25 180.04 3i39 h ASP 219 N 0.72 0.36 -0.52 0.00 1.82 -0.41 -1.91 116.42 116.47 3i39 h ASP 219 Ca 0.18 -0.27 0.10 0.00 -0.39 0.00 0.00 57.03 56.65 3i39 h ASP 219 Cb 0.13 -0.10 -0.08 0.00 0.68 0.00 0.00 39.33 39.96 3i39 h ASP 219 CO -0.02 0.54 0.02 0.25 -1.61 0.00 0.00 179.24 178.42 3i39 h LEU 220 N 0.17 -0.18 -0.66 2.28 5.85 -0.84 -0.09 115.31 121.85 3i39 h LEU 220 Ca 0.07 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3i39 h LEU 220 Cb 0.33 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3i39 h LEU 220 CO 0.01 -0.06 0.36 0.00 -0.34 0.00 0.00 178.44 178.41 3i39 h ALA 221 N 1.46 0.88 -0.71 1.25 0.00 -0.86 -0.19 119.26 121.09 3i39 h ALA 221 Ca 0.27 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3i39 h ALA 221 Cb 0.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3i39 h ALA 221 CO -0.42 0.04 0.21 0.78 0.00 0.00 0.00 179.25 179.86 3i39 h GLY 222 N 0.68 1.19 0.68 0.00 0.00 -0.48 0.87 103.07 105.99 3i39 h GLY 222 Ca 0.29 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3i39 h GLY 222 CO -0.18 0.66 -0.32 0.00 0.00 0.00 0.00 176.54 176.70 3i39 h TYR 224 N -0.69 0.51 -0.52 0.00 5.03 -0.84 -1.19 116.97 119.27 3i39 h TYR 224 Ca -0.02 -0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.32 3i39 h TYR 224 Cb 0.62 -0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.69 3i39 h TYR 224 CO -0.18 0.49 0.17 1.98 -1.32 0.00 0.00 178.16 179.30 3i39 h MET 225 N 0.39 0.33 -0.78 1.82 4.05 -0.77 -1.04 114.93 118.94 3i39 h MET 225 Ca 0.11 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 3i39 h MET 225 Cb 0.20 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 3i39 h MET 225 CO -0.01 0.22 0.49 0.78 0.23 0.00 0.00 176.91 178.63 3i39 h GLY 226 N 0.34 1.11 1.00 1.39 0.00 -0.42 -0.47 103.07 106.03 3i39 h GLY 226 Ca 0.25 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3i39 h GLY 226 CO -0.27 0.43 0.00 -0.84 0.00 0.00 0.00 176.54 175.87 3i39 h THR 227 N 1.06 1.26 0.30 4.70 2.02 -1.10 -1.21 112.91 119.95 3i39 h THR 227 Ca 0.28 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 3i39 h THR 227 Cb -0.08 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3i39 h THR 227 CO -0.06 0.37 -0.15 0.44 0.37 0.00 0.00 175.52 176.50 3i39 h ASP 228 N 0.72 -0.34 -0.35 4.18 3.32 -0.92 -0.30 116.42 122.74 3i39 h ASP 228 Ca 0.14 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3i39 h ASP 228 Cb 0.51 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3i39 h ASP 228 CO 0.02 -0.18 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.20 3i39 h LEU 229 N -0.49 0.77 -0.77 1.55 3.38 -1.05 -1.93 115.31 116.77 3i39 h LEU 229 Ca -0.04 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 3i39 h LEU 229 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3i39 h LEU 229 CO 0.07 0.89 -0.23 0.00 0.09 0.00 0.00 178.44 179.26 3i39 h ALA 230 N 1.18 0.94 -0.56 1.53 0.00 -1.04 -1.72 119.26 119.59 3i39 h ALA 230 Ca 0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3i39 h ALA 230 Cb 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3i39 h ALA 230 CO 0.04 0.61 -0.03 -0.44 0.00 0.00 0.00 179.25 179.42 3i39 h ASP 231 N 0.60 1.00 -0.26 0.00 3.32 -0.81 0.20 116.42 120.46 3i39 h ASP 231 Ca 0.08 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.82 3i39 h ASP 231 Cb 0.71 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3i39 h ASP 231 CO 0.05 1.08 0.16 0.40 -1.72 0.00 0.00 179.24 179.22 3i39 h ILE 232 N 0.90 1.04 0.04 0.35 2.04 -1.08 -0.04 117.51 120.75 3i39 h ILE 232 Ca 0.16 -0.11 -0.23 0.00 1.00 0.00 0.00 64.86 65.67 3i39 h ILE 232 Cb 0.59 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3i39 h ILE 232 CO 0.04 0.06 -1.01 -0.07 0.00 0.00 0.00 178.15 177.16 3i39 h LEU 233 N 0.33 0.41 -0.30 1.44 3.38 -1.17 -0.32 115.31 119.07 3i39 h LEU 233 Ca 0.10 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3i39 h LEU 233 Cb -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3i39 h LEU 233 CO -0.04 1.20 0.00 0.49 0.09 0.00 0.00 178.44 180.18 3i39 n PHE 234 N -3.65 0.00 0.00 1.13 3.72 0.67 -4.13 117.46 115.21 3i39 n PHE 234 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3i39 n PHE 234 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3i39 n PHE 234 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i39 n GLY 235 N 0.56 2.23 3.74 1.37 0.00 -0.03 -4.98 105.19 108.08 3i39 n GLY 235 Ca 0.00 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3i39 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i39 s THR 236 N -1.36 3.89 0.56 2.61 2.01 -1.23 -4.52 115.64 117.60 3i39 s THR 236 Ca 0.00 1.68 -0.20 0.00 0.31 0.00 0.00 61.69 63.47 3i39 s THR 236 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3i39 s THR 236 CO 0.00 0.31 1.27 -2.84 -0.69 0.00 0.00 174.62 172.67 3i39 s PRO 237 N -0.54 3.11 0.24 4.92 0.02 -1.26 -5.03 135.00 136.46 3i39 s PRO 237 Ca 0.48 2.00 0.02 0.00 0.02 0.00 0.00 61.00 63.51 3i39 s PRO 237 Cb -0.29 -2.12 -0.05 0.00 0.02 0.00 0.00 34.50 32.06 3i39 s PRO 237 CO 0.35 -1.14 0.07 0.00 -0.33 0.00 0.00 177.00 175.94 3i39 s ALA 238 N -1.45 1.69 0.25 -1.55 0.00 -1.20 -4.27 121.76 115.22 3i39 s ALA 238 Ca 0.74 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 3i39 s ALA 238 Cb -0.35 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 23.51 3i39 s ALA 238 CO 0.39 -0.40 1.28 -2.30 0.00 0.00 0.00 175.76 174.73 3i39 n PRO 239 N -0.43 1.76 -3.90 0.00 -0.02 -1.20 -4.35 135.00 126.86 3i39 n PRO 239 Ca -0.02 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3i39 n PRO 239 Cb 0.65 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 3i39 n PRO 239 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i39 s VAL 240 N -0.39 0.08 -0.11 -1.45 -7.23 -0.43 -4.95 120.40 105.93 3i39 s VAL 240 Ca 0.66 -0.67 0.03 0.00 -1.81 0.00 0.00 61.98 60.19 3i39 s VAL 240 Cb -0.69 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 35.91 3i39 s VAL 240 CO 0.54 -0.37 -0.21 0.54 -0.31 0.00 0.00 175.10 175.29 3i39 s VAL 241 N -1.23 1.89 0.00 1.32 0.11 -1.26 -1.05 120.40 120.19 3i39 s VAL 241 Ca -0.13 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 3i39 s VAL 241 Cb -0.07 -1.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 3i39 s VAL 241 CO 0.01 0.52 0.00 1.07 -3.33 0.00 0.00 175.10 173.37 3i39 n THR 242 N 3.78 0.00 -4.12 5.04 5.66 0.83 -4.91 114.28 120.56 3i39 n THR 242 Ca -0.20 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.72 3i39 n THR 242 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 3i39 n THR 242 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3i39 s GLU 243 N 1.53 0.76 0.06 1.09 2.02 -1.26 -0.51 118.70 122.39 3i39 s GLU 243 Ca 0.00 -1.32 -0.02 0.00 0.02 0.00 0.00 54.97 53.65 3i39 s GLU 243 Cb 0.00 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.40 3i39 s GLU 243 CO 0.00 -0.17 0.00 -1.54 0.02 0.00 0.00 175.26 173.57 3i39 s SER 244 N -2.98 0.44 0.00 -0.19 1.04 -0.39 -1.77 113.70 109.84 3i39 s SER 244 Ca 0.15 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3i39 s SER 244 Cb 0.08 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3i39 s SER 244 CO -0.05 -0.62 0.00 -3.20 0.98 0.00 0.00 173.24 170.35 3i39 n ASN 245 N 0.08 0.00 0.30 7.02 4.05 0.13 -0.92 115.26 125.91 3i39 n ASN 245 Ca -0.14 0.00 0.15 0.00 0.45 0.00 0.00 54.58 55.05 3i39 n ASN 245 Cb 0.61 0.00 0.93 0.00 1.23 0.00 0.00 39.78 42.55 3i39 n ASN 245 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3i39 h LEU 246 N 0.00 0.00 -0.63 1.20 3.38 -1.59 -1.84 115.31 115.84 3i39 h LEU 246 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i39 h LEU 246 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i39 h LEU 246 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3i39 n GLY 247 N -1.28 -0.70 0.04 0.83 0.00 -0.18 -1.42 105.19 102.48 3i39 n GLY 247 Ca -0.03 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3i39 n GLY 247 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i39 n VAL 248 N -1.84 0.78 -2.39 1.61 0.24 -0.69 -4.74 118.33 111.30 3i39 n VAL 248 Ca -0.00 0.17 -0.36 0.00 -2.04 0.00 0.00 64.34 62.11 3i39 n VAL 248 Cb 0.03 -0.93 -0.02 0.00 -1.47 0.00 0.00 33.84 31.45 3i39 n VAL 248 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i39 s LEU 249 N -3.44 3.94 -0.11 1.34 1.43 -0.51 -5.04 118.68 116.31 3i39 s LEU 249 Ca 0.08 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 3i39 s LEU 249 Cb 0.11 -4.38 0.02 0.00 0.03 0.00 0.00 46.19 41.98 3i39 s LEU 249 CO 0.36 -0.86 -0.09 -0.54 0.23 0.00 0.00 176.35 175.45 3i39 s LYS 250 N -2.91 1.63 0.30 1.70 1.02 -1.26 -5.03 119.74 115.19 3i39 s LYS 250 Ca 0.65 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 3i39 s LYS 250 Cb -0.23 -1.59 0.48 0.00 -0.52 0.00 0.00 37.83 35.97 3i39 s LYS 250 CO 0.28 -0.21 1.95 0.00 -0.92 0.00 0.00 175.35 176.46 3i39 h ALA 251 N 7.92 1.45 -0.28 5.17 0.00 -1.96 -2.07 119.26 129.49 3i39 h ALA 251 Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i39 h ALA 251 Cb 1.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i39 h ALA 251 CO 0.43 0.48 0.00 -0.40 0.00 0.00 0.00 179.25 179.76 3i39 n ASP 252 N -4.43 1.51 -4.45 0.00 3.85 -1.26 -4.88 116.55 106.88 3i39 n ASP 252 Ca 0.10 -1.99 -0.25 0.00 -0.71 0.00 0.00 54.79 51.94 3i39 n ASP 252 Cb 0.08 -0.19 -0.11 0.00 -1.35 0.00 0.00 41.12 39.56 3i39 n ASP 252 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i39 s ALA 253 N -1.63 2.67 -0.51 2.12 0.00 -0.78 -1.00 121.76 122.64 3i39 s ALA 253 Ca 0.19 -1.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.09 3i39 s ALA 253 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3i39 s ALA 253 CO 0.13 0.34 1.68 0.08 0.00 0.00 0.00 175.76 177.98 3i39 s VAL 254 N -2.20 3.55 -0.27 0.00 1.01 -0.72 -4.87 120.40 116.90 3i39 s VAL 254 Ca 0.27 0.46 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 3i39 s VAL 254 Cb -0.06 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3i39 s VAL 254 CO 0.13 -0.86 0.63 0.20 0.00 0.00 0.00 175.10 175.19 3i39 s ASN 255 N 6.19 6.55 -0.14 3.32 0.01 -1.26 0.25 114.94 129.86 3i39 s ASN 255 Ca 0.65 0.62 0.00 0.00 -0.71 0.00 0.00 52.86 53.42 3i39 s ASN 255 Cb -0.15 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.20 3i39 s ASN 255 CO 0.26 -0.40 -0.12 0.68 -1.51 0.00 0.00 177.10 176.01 3i39 s VAL 256 N 2.53 1.38 -0.05 1.60 -7.23 -0.40 -1.08 120.40 117.15 3i39 s VAL 256 Ca 0.26 -0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 59.74 3i39 s VAL 256 Cb -0.15 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 3i39 s VAL 256 CO 0.09 0.43 0.47 0.00 -0.31 0.00 0.00 175.10 175.78 3i39 s ALA 257 N 1.55 3.57 -0.19 1.32 0.00 -0.01 -0.73 121.76 127.28 3i39 s ALA 257 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 3i39 s ALA 257 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3i39 s ALA 257 CO -0.10 0.24 0.06 0.14 0.00 0.00 0.00 175.76 176.10 3i39 s VAL 258 N -0.26 4.78 -0.09 0.00 -7.23 -0.01 -0.17 120.40 117.42 3i39 s VAL 258 Ca 0.26 -0.04 -0.07 0.00 -1.81 0.00 0.00 61.98 60.32 3i39 s VAL 258 Cb -0.16 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.65 3i39 s VAL 258 CO 0.13 0.45 0.24 -2.28 -0.31 0.00 0.00 175.10 173.33 3i39 s HIS 259 N 0.42 -0.28 -0.92 2.82 5.04 -0.46 -0.80 115.29 121.10 3i39 s HIS 259 Ca 0.03 0.68 0.00 0.00 -1.54 0.00 0.00 55.06 54.23 3i39 s HIS 259 Cb -0.12 0.07 0.00 0.00 0.04 0.00 0.00 32.58 32.56 3i39 s HIS 259 CO 0.00 -0.17 0.00 0.41 -2.34 0.00 0.00 174.74 172.65 3i39 n GLY 260 N 3.46 0.31 0.00 1.59 0.00 -1.26 -2.14 105.19 107.16 3i39 n GLY 260 Ca -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3i39 n GLY 260 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i39 n HIS 261 N 1.66 0.00 -3.40 1.61 8.25 -0.97 -0.68 115.22 121.71 3i39 n HIS 261 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3i39 n HIS 261 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 3i39 n HIS 261 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3i39 s ASN 262 N -1.69 6.21 0.00 0.41 3.84 -1.26 -4.12 114.94 118.33 3i39 s ASN 262 Ca 0.00 0.03 0.10 0.00 0.21 0.00 0.00 52.86 53.20 3i39 s ASN 262 Cb 0.00 -2.20 0.46 0.00 -0.55 0.00 0.00 41.25 38.96 3i39 s ASN 262 CO 0.00 -0.26 1.32 -0.81 -2.79 0.00 0.00 177.10 174.55 3i39 n PRO 263 N 5.37 1.22 -0.15 0.43 -0.04 -1.26 -3.79 135.00 136.78 3i39 n PRO 263 Ca -0.09 -0.33 0.26 0.00 -0.04 0.00 0.00 63.50 63.30 3i39 n PRO 263 Cb 0.50 -1.18 0.70 0.00 -0.04 0.00 0.00 33.50 33.48 3i39 n PRO 263 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i39 h VAL 264 N 0.59 0.60 0.03 0.52 2.07 -2.00 0.73 116.25 118.79 3i39 h VAL 264 Ca 0.00 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.24 3i39 h VAL 264 Cb 0.13 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3i39 h VAL 264 CO 0.00 0.01 -1.47 0.00 0.02 0.00 0.00 177.57 176.13 3i39 n LEU 265 N -4.31 2.03 0.25 2.57 -0.00 -1.25 -4.33 117.00 111.95 3i39 n LEU 265 Ca 0.17 0.37 0.14 0.00 -0.00 0.00 0.00 56.01 56.69 3i39 n LEU 265 Cb 0.86 -0.99 0.51 0.00 -0.00 0.00 0.00 43.42 43.80 3i39 n LEU 265 CO 0.38 0.41 0.89 0.77 -0.00 0.00 0.00 177.39 179.84 3i39 h SER 266 N -0.78 0.00 -0.06 1.45 4.64 -1.67 0.07 113.55 117.21 3i39 h SER 266 Ca -0.38 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.84 3i39 h SER 266 Cb 1.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 3i39 h SER 266 CO -0.16 0.08 -0.27 -0.78 -0.87 0.00 0.00 176.83 174.83 3i39 h ASP 267 N 0.00 0.50 0.48 4.97 3.58 -1.07 -2.12 116.42 122.76 3i39 h ASP 267 Ca -0.00 -0.17 -0.20 0.00 0.42 0.00 0.00 57.03 57.07 3i39 h ASP 267 Cb 0.69 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3i39 h ASP 267 CO 0.01 0.76 -0.87 0.40 -2.88 0.00 0.00 179.24 176.66 3i39 h ILE 268 N 0.43 1.46 -0.16 2.25 1.08 -1.27 -2.76 117.51 118.53 3i39 h ILE 268 Ca 0.06 -2.51 -0.07 0.00 -0.39 0.00 0.00 64.86 61.96 3i39 h ILE 268 Cb 0.69 2.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.84 3i39 h ILE 268 CO 0.05 0.74 -0.20 0.40 -0.69 0.00 0.00 178.15 178.45 3i39 h ILE 269 N 0.15 1.22 0.18 -0.67 2.04 -0.99 0.13 117.51 119.58 3i39 h ILE 269 Ca -0.05 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3i39 h ILE 269 Cb 1.49 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3i39 h ILE 269 CO 0.14 0.31 -0.09 0.58 0.00 0.00 0.00 178.15 179.09 3i39 h VAL 270 N 0.25 0.90 -0.42 1.67 2.07 -1.22 0.42 116.25 119.93 3i39 h VAL 270 Ca 0.05 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 3i39 h VAL 270 Cb 0.50 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3i39 h VAL 270 CO 0.03 0.10 -0.20 0.77 0.02 0.00 0.00 177.57 178.29 3i39 h SER 271 N -0.46 0.85 -0.04 0.57 4.64 -1.14 -3.08 113.55 114.90 3i39 h SER 271 Ca -0.03 -0.30 -0.14 0.00 -0.47 0.00 0.00 61.79 60.85 3i39 h SER 271 Cb 0.35 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3i39 h SER 271 CO 0.04 1.03 -0.44 0.58 -0.87 0.00 0.00 176.83 177.18 3i39 h VAL 272 N 0.73 1.30 -0.37 0.95 2.07 -0.71 -2.91 116.25 117.31 3i39 h VAL 272 Ca 0.10 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3i39 h VAL 272 Cb 0.73 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3i39 h VAL 272 CO 0.06 0.51 0.24 0.77 0.02 0.00 0.00 177.57 179.17 3i39 h SER 273 N 0.46 0.43 0.17 0.57 4.64 -0.81 -0.40 113.55 118.61 3i39 h SER 273 Ca 0.03 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3i39 h SER 273 Cb 0.95 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3i39 h SER 273 CO 0.08 0.32 -0.30 0.11 -0.87 0.00 0.00 176.83 176.17 3i39 h LYS 274 N 0.51 0.22 0.00 4.77 1.57 -1.51 -2.54 116.57 119.58 3i39 h LYS 274 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3i39 h LYS 274 Cb -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3i39 h LYS 274 CO -0.03 0.50 0.00 0.93 -0.57 0.00 0.00 179.45 180.29 3i39 h GLU 275 N 0.19 0.00 -0.36 3.15 5.08 -1.12 -3.18 114.58 118.35 3i39 h GLU 275 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3i39 h GLU 275 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3i39 h GLU 275 CO 0.05 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.73 3i39 n MET 276 N -2.96 3.41 -0.18 2.33 2.81 -0.96 -4.65 117.12 116.93 3i39 n MET 276 Ca 0.01 -2.85 -0.07 0.00 -1.81 0.00 0.00 57.70 52.98 3i39 n MET 276 Cb 0.33 -1.89 0.02 0.00 -0.71 0.00 0.00 33.22 30.96 3i39 n MET 276 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i39 h GLU 277 N 2.46 0.73 -0.07 0.03 4.81 -1.60 -0.42 114.58 120.52 3i39 h GLU 277 Ca 0.00 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 3i39 h GLU 277 Cb 1.50 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 3i39 h GLU 277 CO 0.26 0.56 -0.57 -0.91 -0.73 0.00 0.00 179.01 177.63 3i39 h ASN 278 N 0.70 0.23 -0.20 1.04 2.35 -1.88 -0.03 115.58 117.79 3i39 h ASN 278 Ca 0.18 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3i39 h ASN 278 Cb 0.05 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3i39 h ASN 278 CO -0.03 0.75 -0.18 -0.08 -1.65 0.00 0.00 177.43 176.24 3i39 h GLU 279 N 0.16 0.62 -0.46 0.81 4.81 -1.81 -0.77 114.58 117.95 3i39 h GLU 279 Ca -0.00 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 58.94 3i39 h GLU 279 Cb 1.05 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3i39 h GLU 279 CO 0.09 0.77 0.01 0.00 -0.73 0.00 0.00 179.01 179.15 3i39 h ALA 280 N 1.25 0.62 -0.42 2.92 0.00 -0.30 -2.84 119.26 120.48 3i39 h ALA 280 Ca 0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3i39 h ALA 280 Cb 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i39 h ALA 280 CO 0.04 0.41 0.07 0.00 0.00 0.00 0.00 179.25 179.77 3i39 h ARG 281 N 0.66 0.65 -0.87 0.00 3.08 -0.59 -0.74 114.38 116.56 3i39 h ARG 281 Ca 0.13 -0.13 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3i39 h ARG 281 Cb 0.49 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 3i39 h ARG 281 CO 0.02 0.62 0.56 0.00 -1.07 0.00 0.00 179.97 180.10 3i39 h ALA 282 N 1.45 1.81 -0.18 0.04 0.00 -0.93 0.34 119.26 121.80 3i39 h ALA 282 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i39 h ALA 282 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i39 h ALA 282 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3i39 n ALA 283 N -2.44 2.51 -0.50 0.00 0.00 -0.79 -4.90 120.51 114.40 3i39 n ALA 283 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3i39 n ALA 283 Cb 0.43 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3i39 n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i39 n GLY 284 N 1.10 0.73 3.93 0.00 0.00 0.12 -4.80 105.19 106.28 3i39 n GLY 284 Ca 0.15 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3i39 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i39 s ALA 285 N -2.00 3.54 0.07 4.61 0.00 -0.35 -4.98 121.76 122.65 3i39 s ALA 285 Ca 0.00 -0.85 0.22 0.00 0.00 0.00 0.00 51.96 51.33 3i39 s ALA 285 Cb 0.00 -2.37 0.71 0.00 0.00 0.00 0.00 23.12 21.47 3i39 s ALA 285 CO 0.00 -0.52 1.74 1.79 0.00 0.00 0.00 175.76 178.77 3i39 h THR 286 N 0.18 0.63 0.00 0.00 1.35 -1.33 -3.23 112.91 110.51 3i39 h THR 286 Ca -0.46 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 3i39 h THR 286 Cb 1.25 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3i39 h THR 286 CO 0.59 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 3i39 n GLY 287 N 0.38 0.10 3.69 5.82 0.00 -1.26 -4.78 105.19 109.14 3i39 n GLY 287 Ca 0.01 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 3i39 n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i39 s ILE 288 N -1.74 5.15 -0.42 -0.61 1.01 -1.26 -1.76 121.20 121.57 3i39 s ILE 288 Ca 0.00 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 61.53 3i39 s ILE 288 Cb 0.00 -3.83 0.09 0.00 0.01 0.00 0.00 42.46 38.74 3i39 s ILE 288 CO 0.00 0.25 0.24 0.21 0.00 0.00 0.00 174.94 175.63 3i39 s ASN 289 N 0.91 5.47 -0.10 3.58 2.47 0.14 -4.93 114.94 122.48 3i39 s ASN 289 Ca 0.25 -1.72 -0.21 0.00 0.42 0.00 0.00 52.86 51.59 3i39 s ASN 289 Cb -0.15 -1.92 -0.04 0.00 -1.45 0.00 0.00 41.25 37.69 3i39 s ASN 289 CO 0.10 -0.55 0.62 -0.69 -3.72 0.00 0.00 177.10 172.87 3i39 s VAL 290 N 1.31 5.09 0.16 -5.21 1.01 -1.26 -1.27 120.40 120.22 3i39 s VAL 290 Ca 0.04 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.33 3i39 s VAL 290 Cb -0.23 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 3i39 s VAL 290 CO -0.01 0.26 -0.09 0.68 0.00 0.00 0.00 175.10 175.93 3i39 s VAL 291 N 0.88 1.19 0.07 2.92 -7.23 0.09 -4.41 120.40 113.92 3i39 s VAL 291 Ca 0.33 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.47 3i39 s VAL 291 Cb -0.17 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3i39 s VAL 291 CO 0.15 -0.70 0.01 -0.83 -0.31 0.00 0.00 175.10 173.42 3i39 s GLY 292 N -3.19 1.93 0.01 2.32 0.00 -0.23 -0.83 107.32 107.32 3i39 s GLY 292 Ca 0.18 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.88 3i39 s GLY 292 CO 0.02 -1.02 -0.13 -0.42 0.00 0.00 0.00 173.10 171.55 3i39 s ILE 293 N -1.27 1.02 0.00 0.90 1.01 0.02 -0.14 121.20 122.74 3i39 s ILE 293 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3i39 s ILE 293 Cb -0.12 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3i39 s ILE 293 CO 0.17 0.18 0.00 0.00 0.00 0.00 0.00 174.94 175.29 3i39 h THR 296 N 0.62 0.71 0.00 0.00 1.03 -1.02 0.24 112.91 114.48 3i39 h THR 296 Ca 0.04 -1.18 -0.00 0.00 -0.01 0.00 0.00 66.41 65.26 3i39 h THR 296 Cb 0.99 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.83 3i39 h THR 296 CO 0.09 0.26 -0.00 1.23 -0.01 0.00 0.00 175.52 177.10 3i39 h GLY 297 N 1.83 -0.00 0.22 2.99 0.00 -1.12 -2.35 103.07 104.63 3i39 h GLY 297 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3i39 h GLY 297 CO 0.03 -0.00 0.32 3.43 0.00 0.00 0.00 176.54 180.32 3i39 h ASN 298 N -0.11 0.33 -0.46 0.19 2.35 -0.01 0.45 115.58 118.32 3i39 h ASN 298 Ca -0.00 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3i39 h ASN 298 Cb 0.11 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3i39 h ASN 298 CO 0.00 0.14 0.30 -0.33 -1.65 0.00 0.00 177.43 175.90 3i39 h GLU 299 N 0.49 0.60 0.00 0.81 4.39 -0.16 0.03 114.58 120.73 3i39 h GLU 299 Ca 0.40 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3i39 h GLU 299 Cb 0.57 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3i39 h GLU 299 CO -0.37 0.40 -0.30 -0.39 -1.16 0.00 0.00 179.01 177.19 3i39 h VAL 300 N 0.62 0.00 -0.08 3.13 -1.51 -1.21 -2.18 116.25 115.02 3i39 h VAL 300 Ca 0.17 -0.66 -0.05 0.00 -1.23 0.00 0.00 66.70 64.93 3i39 h VAL 300 Cb -0.06 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 3i39 h VAL 300 CO -0.05 0.00 -0.15 0.25 -1.23 0.00 0.00 177.57 176.40 3i39 h LEU 301 N 0.00 0.27 -0.52 4.19 6.46 -0.69 -0.98 115.31 124.05 3i39 h LEU 301 Ca 0.00 -0.55 -0.04 0.00 -0.12 0.00 0.00 57.88 57.16 3i39 h LEU 301 Cb 0.83 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 3i39 h LEU 301 CO 0.00 0.77 0.16 0.24 -0.62 0.00 0.00 178.44 178.99 3i39 h MET 302 N -0.22 0.81 0.00 1.25 2.86 -0.87 -0.20 114.93 118.56 3i39 h MET 302 Ca 0.00 -0.18 -0.26 0.00 -2.06 0.00 0.00 59.70 57.21 3i39 h MET 302 Cb 0.72 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 3i39 h MET 302 CO 0.03 0.75 -1.59 0.00 1.06 0.00 0.00 176.91 177.17 3i39 h ARG 303 N 0.71 0.00 0.00 1.72 3.08 -1.47 -3.39 114.38 115.03 3i39 h ARG 303 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i39 h ARG 303 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i39 h ARG 303 CO -0.00 0.47 0.00 0.72 -1.07 0.00 0.00 179.97 180.08 3i39 n HIS 304 N -3.02 0.00 -1.74 3.04 8.25 -0.41 -4.94 115.22 116.40 3i39 n HIS 304 Ca -0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.23 3i39 n HIS 304 Cb 0.99 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.08 3i39 n HIS 304 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i39 n GLY 305 N 0.43 0.51 3.71 -1.41 0.00 -0.09 -4.95 105.19 103.39 3i39 n GLY 305 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3i39 n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i39 s ILE 306 N -2.40 2.76 0.45 -0.61 -1.09 -1.06 -4.71 121.20 114.54 3i39 s ILE 306 Ca 0.00 0.50 -0.24 0.00 -2.23 0.00 0.00 60.65 58.68 3i39 s ILE 306 Cb 0.00 -3.32 -0.07 0.00 -1.58 0.00 0.00 42.46 37.49 3i39 s ILE 306 CO 0.00 0.03 1.22 -2.16 -1.23 0.00 0.00 174.94 172.80 3i39 s PRO 307 N 1.42 3.76 -0.14 2.79 0.04 -1.26 -3.96 135.00 137.65 3i39 s PRO 307 Ca 0.70 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 63.48 3i39 s PRO 307 Cb -0.42 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 3i39 s PRO 307 CO 0.31 -0.59 0.50 0.00 0.04 0.00 0.00 177.00 177.26 3i39 s ALA 308 N -1.44 3.49 -0.15 8.56 0.00 -0.73 -1.07 121.76 130.43 3i39 s ALA 308 Ca 0.62 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 3i39 s ALA 308 Cb -0.32 -2.72 -0.24 0.00 0.00 0.00 0.00 23.12 19.84 3i39 s ALA 308 CO 0.40 -0.16 0.24 0.00 0.00 0.00 0.00 175.76 176.24 3i39 n THR 310 N -3.41 0.00 -4.08 0.00 5.66 -1.21 -2.86 114.28 108.38 3i39 n THR 310 Ca -0.35 -0.49 -0.08 0.00 -3.05 0.00 0.00 64.05 60.08 3i39 n THR 310 Cb 1.04 0.68 -0.10 0.00 -1.55 0.00 0.00 70.33 70.39 3i39 n THR 310 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3i39 s HIS 311 N -2.63 0.53 0.00 1.09 3.76 -1.26 -3.02 115.29 113.76 3i39 s HIS 311 Ca 0.20 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 3i39 s HIS 311 Cb -0.02 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.29 3i39 s HIS 311 CO 0.05 -0.34 0.00 0.45 -0.85 0.00 0.00 174.74 174.05 3i39 n SER 312 N 0.28 0.00 0.26 1.40 2.88 -1.26 -1.95 113.62 115.22 3i39 n SER 312 Ca -0.15 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.52 3i39 n SER 312 Cb 0.60 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.73 3i39 n SER 312 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3i39 h VAL 313 N 0.00 0.47 -0.65 2.46 3.04 -1.96 -1.75 116.25 117.87 3i39 h VAL 313 Ca 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3i39 h VAL 313 Cb 0.00 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3i39 h VAL 313 CO 0.00 0.13 0.00 -1.54 -1.01 0.00 0.00 177.57 175.15 3i39 n SER 314 N -3.46 4.59 -0.14 3.17 3.41 -0.82 -4.58 113.62 115.78 3i39 n SER 314 Ca -0.01 -2.39 0.09 0.00 -0.26 0.00 0.00 58.87 56.31 3i39 n SER 314 Cb 0.30 -0.57 0.42 0.00 -0.26 0.00 0.00 64.21 64.11 3i39 n SER 314 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3i39 h GLN 315 N 4.04 0.57 0.00 4.33 3.07 -1.39 -0.30 115.11 125.43 3i39 h GLN 315 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 3i39 h GLN 315 Cb 1.38 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.81 3i39 h GLN 315 CO 0.21 0.38 -0.09 0.93 0.09 0.00 0.00 178.83 180.34 3i39 h GLU 316 N 0.59 0.00 -0.07 0.06 5.08 -1.85 -3.06 114.58 115.33 3i39 h GLU 316 Ca 0.31 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3i39 h GLU 316 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3i39 h GLU 316 CO -0.10 0.09 -0.24 0.52 -1.00 0.00 0.00 179.01 178.29 3i39 h MET 317 N 0.00 0.12 -0.80 2.33 2.86 -1.41 -1.19 114.93 116.85 3i39 h MET 317 Ca -0.00 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3i39 h MET 317 Cb 0.23 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3i39 h MET 317 CO 0.01 0.36 0.52 0.00 1.06 0.00 0.00 176.91 178.86 3i39 h ALA 318 N 1.65 1.60 -0.32 6.32 0.00 -1.68 -2.47 119.26 124.36 3i39 h ALA 318 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3i39 h ALA 318 Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i39 h ALA 318 CO 0.03 0.29 -0.46 0.52 0.00 0.00 0.00 179.25 179.63 3i39 h MET 319 N 0.90 0.83 0.00 0.00 2.07 -1.41 -3.17 114.93 114.15 3i39 h MET 319 Ca 0.34 -0.48 -0.00 0.00 -2.07 0.00 0.00 59.70 57.49 3i39 h MET 319 Cb 0.18 0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.95 3i39 h MET 319 CO -0.11 1.11 -0.00 0.82 1.07 0.00 0.00 176.91 179.80 3i39 h ILE 320 N 0.66 0.02 -0.09 -1.22 1.08 -1.08 -2.05 117.51 114.83 3i39 h ILE 320 Ca 0.04 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3i39 h ILE 320 Cb 1.04 1.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.89 3i39 h ILE 320 CO 0.10 0.00 0.06 0.71 -0.69 0.00 0.00 178.15 178.34 3i39 h THR 321 N 0.00 1.00 0.00 -0.27 1.35 -1.51 -3.46 112.91 110.03 3i39 h THR 321 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3i39 h THR 321 Cb 0.10 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3i39 h THR 321 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3i39 n GLY 322 N -1.54 0.83 0.81 5.82 0.00 -0.77 -0.69 105.19 109.65 3i39 n GLY 322 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3i39 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i39 n ALA 323 N 0.97 2.44 -2.92 4.61 0.00 -1.26 -4.87 120.51 119.48 3i39 n ALA 323 Ca 0.00 -0.74 -0.44 0.00 0.00 0.00 0.00 53.44 52.27 3i39 n ALA 323 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 3i39 n ALA 323 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i39 s LEU 324 N -1.49 4.78 0.16 0.00 2.96 -1.26 -4.22 118.68 119.61 3i39 s LEU 324 Ca 0.25 -1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.03 3i39 s LEU 324 Cb 0.16 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.45 3i39 s LEU 324 CO 0.24 -1.25 1.41 0.44 -1.32 0.00 0.00 176.35 175.87 3i39 h ASP 325 N 9.35 0.61 -4.99 3.68 3.32 -1.41 -3.37 116.42 123.61 3i39 h ASP 325 Ca -0.29 -0.39 -0.15 0.00 0.02 0.00 0.00 57.03 56.22 3i39 h ASP 325 Cb 1.08 -0.18 -0.20 0.00 0.22 0.00 0.00 39.33 40.25 3i39 h ASP 325 CO 1.12 1.15 -0.52 0.00 -1.72 0.00 0.00 179.24 179.27 3i39 s ALA 326 N -3.68 -0.26 -0.17 3.45 0.00 -0.95 -1.71 121.76 118.43 3i39 s ALA 326 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 3i39 s ALA 326 Cb 0.10 0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.40 3i39 s ALA 326 CO 0.86 -0.21 -0.01 1.41 0.00 0.00 0.00 175.76 177.80 3i39 s MET 327 N -1.47 1.06 -0.33 0.00 1.75 0.06 -0.83 119.30 119.54 3i39 s MET 327 Ca -0.14 -0.45 -0.10 0.00 -1.25 0.00 0.00 55.69 53.75 3i39 s MET 327 Cb -0.08 -1.97 0.01 0.00 2.84 0.00 0.00 34.83 35.63 3i39 s MET 327 CO 0.01 -0.51 0.16 0.42 -0.65 0.00 0.00 175.02 174.45 3i39 s ILE 328 N 1.73 4.46 -0.09 10.11 1.01 0.77 -0.95 121.20 138.24 3i39 s ILE 328 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 3i39 s ILE 328 Cb -0.16 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3i39 s ILE 328 CO -0.07 -0.04 -0.01 -0.76 0.00 0.00 0.00 174.94 174.05 3i39 s LEU 329 N 1.57 3.50 0.00 2.97 1.43 0.28 -1.35 118.68 127.08 3i39 s LEU 329 Ca 0.03 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3i39 s LEU 329 Cb -0.18 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3i39 s LEU 329 CO 0.06 0.35 0.00 -0.90 0.23 0.00 0.00 176.35 176.09 3i39 n ASP 330 N 2.32 0.00 -3.83 2.29 5.68 -0.91 -2.48 116.55 119.62 3i39 n ASP 330 Ca -0.18 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.02 3i39 n ASP 330 Cb 0.53 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.44 3i39 n ASP 330 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3i39 s TYR 331 N 0.00 0.10 0.03 2.11 -0.85 -1.26 -4.64 117.35 112.84 3i39 s TYR 331 Ca 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.05 3i39 s TYR 331 Cb 0.00 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.32 3i39 s TYR 331 CO 0.00 -0.55 0.00 1.04 -1.52 0.00 0.00 175.55 174.52 3i39 n GLN 332 N -0.02 -0.38 -1.12 -3.49 6.02 -1.26 -2.28 117.38 114.84 3i39 n GLN 332 Ca -0.15 0.28 -0.04 0.00 -0.01 0.00 0.00 57.00 57.07 3i39 n GLN 332 Cb 0.62 -0.30 -0.02 0.00 1.02 0.00 0.00 30.24 31.56 3i39 n GLN 332 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i39 s ILE 334 N -1.92 5.04 0.04 0.00 1.01 -1.26 -4.90 121.20 119.21 3i39 s ILE 334 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 3i39 s ILE 334 Cb 0.00 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 3i39 s ILE 334 CO 0.00 -0.49 1.94 0.00 0.00 0.00 0.00 174.94 176.39 3i39 n GLN 335 N 5.73 2.77 0.03 2.79 6.02 -1.26 -4.85 117.38 128.61 3i39 n GLN 335 Ca -0.07 1.02 0.08 0.00 -0.01 0.00 0.00 57.00 58.02 3i39 n GLN 335 Cb 0.47 -2.95 0.33 0.00 1.02 0.00 0.00 30.24 29.11 3i39 n GLN 335 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3i39 n PRO 336 N 7.05 0.04 -0.12 -1.09 -0.04 -1.26 -1.49 135.00 138.09 3i39 n PRO 336 Ca 0.20 0.30 0.27 0.00 -0.04 0.00 0.00 63.50 64.23 3i39 n PRO 336 Cb 0.39 -1.57 0.71 0.00 -0.04 0.00 0.00 33.50 32.99 3i39 n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i39 h SER 337 N 0.00 0.00 -0.69 3.54 4.64 -2.01 -2.18 113.55 116.85 3i39 h SER 337 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3i39 h SER 337 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3i39 h SER 337 CO 0.00 0.00 0.46 -0.37 -0.87 0.00 0.00 176.83 176.05 3i39 h VAL 338 N 0.00 0.91 -0.10 0.95 -1.51 -1.65 -0.59 116.25 114.27 3i39 h VAL 338 Ca 0.38 -0.19 -0.05 0.00 -1.23 0.00 0.00 66.70 65.61 3i39 h VAL 338 Cb 1.69 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 3i39 h VAL 338 CO -0.00 0.10 -0.16 0.00 -1.23 0.00 0.00 177.57 176.28 3i39 h ALA 339 N 1.65 1.56 0.20 5.19 0.00 -1.63 -1.70 119.26 124.53 3i39 h ALA 339 Ca 0.32 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 3i39 h ALA 339 Cb 0.53 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i39 h ALA 339 CO -0.11 0.32 -1.65 0.00 0.00 0.00 0.00 179.25 177.82 3i39 h THR 340 N 0.15 1.04 0.00 0.00 1.03 -1.35 -3.34 112.91 110.44 3i39 h THR 340 Ca 0.03 -2.55 -0.06 0.00 -0.01 0.00 0.00 66.41 63.82 3i39 h THR 340 Cb 0.37 2.84 -0.01 0.00 -1.07 0.00 0.00 68.15 70.29 3i39 h THR 340 CO 0.02 0.84 -0.29 0.40 -0.01 0.00 0.00 175.52 176.48 3i39 h ILE 341 N 0.09 0.91 -0.74 0.00 2.04 -1.08 -1.58 117.51 117.15 3i39 h ILE 341 Ca -0.32 -1.11 0.14 0.00 1.00 0.00 0.00 64.86 64.57 3i39 h ILE 341 Cb 2.09 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 39.78 3i39 h ILE 341 CO 0.20 0.28 0.50 0.00 0.00 0.00 0.00 178.15 179.13 3i39 h ALA 342 N 1.71 2.06 0.00 1.87 0.00 -1.42 -0.14 119.26 123.34 3i39 h ALA 342 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i39 h ALA 342 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3i39 h ALA 342 CO 0.04 -0.25 -0.27 0.93 0.00 0.00 0.00 179.25 179.69 3i39 h GLU 343 N 0.45 0.00 0.20 0.00 4.39 -1.46 -0.33 114.58 117.83 3i39 h GLU 343 Ca 0.36 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.73 3i39 h GLU 343 Cb 0.77 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.44 3i39 h GLU 343 CO -0.12 0.27 -1.62 0.00 -1.16 0.00 0.00 179.01 176.38 3i39 n THR 345 N -3.68 0.29 -2.79 0.00 -2.24 -0.68 -4.99 114.28 100.18 3i39 n THR 345 Ca -0.22 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 3i39 n THR 345 Cb 1.06 -0.15 0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3i39 n THR 345 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i39 n GLY 346 N 1.23 0.13 3.72 3.38 0.00 -0.15 -4.71 105.19 108.79 3i39 n GLY 346 Ca -0.02 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3i39 n GLY 346 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i39 s THR 347 N -3.16 4.56 -0.42 2.61 2.01 -1.16 -4.79 115.64 115.29 3i39 s THR 347 Ca 0.10 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.73 3i39 s THR 347 Cb -0.04 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.55 3i39 s THR 347 CO 0.34 0.61 0.68 -0.89 -0.69 0.00 0.00 174.62 174.67 3i39 s THR 348 N -0.89 4.80 -0.19 -0.82 2.01 -0.70 -4.73 115.64 115.12 3i39 s THR 348 Ca 0.13 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 3i39 s THR 348 Cb -0.11 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 3i39 s THR 348 CO 0.03 -0.55 0.40 -0.69 -0.69 0.00 0.00 174.62 173.11 3i39 s VAL 349 N 2.91 5.20 -0.11 3.82 1.01 -1.26 -0.76 120.40 131.22 3i39 s VAL 349 Ca 0.25 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.96 3i39 s VAL 349 Cb -0.14 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3i39 s VAL 349 CO 0.19 0.27 -0.15 -0.63 0.00 0.00 0.00 175.10 174.77 3i39 s ILE 350 N 1.20 1.49 0.24 2.22 1.01 -0.13 -1.90 121.20 125.33 3i39 s ILE 350 Ca 0.19 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 3i39 s ILE 350 Cb -0.15 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3i39 s ILE 350 CO 0.08 0.44 0.45 0.42 0.00 0.00 0.00 174.94 176.33 3i39 s THR 351 N 0.94 5.15 0.00 2.92 -4.23 0.13 -0.56 115.64 120.00 3i39 s THR 351 Ca -0.08 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3i39 s THR 351 Cb -0.15 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3i39 s THR 351 CO -0.01 -0.27 0.00 0.35 -0.54 0.00 0.00 174.62 174.15 3i39 n THR 352 N -0.91 0.00 -4.56 3.99 -2.24 -1.04 -0.48 114.28 109.04 3i39 n THR 352 Ca -0.04 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 3i39 n THR 352 Cb 0.54 0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 3i39 n THR 352 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3i39 s MET 353 N -0.09 3.16 0.31 -0.78 -1.94 -1.26 -2.76 119.30 115.94 3i39 s MET 353 Ca 0.00 -0.55 0.05 0.00 -1.71 0.00 0.00 55.69 53.47 3i39 s MET 353 Cb 0.00 -2.71 0.68 0.00 2.01 0.00 0.00 34.83 34.81 3i39 s MET 353 CO 0.00 0.46 1.83 1.49 -0.01 0.00 0.00 175.02 178.79 3i39 h GLU 354 N 5.94 0.82 -0.47 2.03 4.57 -1.93 -1.57 114.58 123.97 3i39 h GLU 354 Ca -0.40 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3i39 h GLU 354 Cb 1.18 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3i39 h GLU 354 CO 0.56 0.55 0.00 0.00 -1.18 0.00 0.00 179.01 178.94 3i39 n MET 355 N -4.64 2.15 -3.33 1.92 0.00 -1.26 -4.58 117.12 107.38 3i39 n MET 355 Ca 0.20 -1.61 -0.24 0.00 0.00 0.00 0.00 57.70 56.05 3i39 n MET 355 Cb 0.45 -1.41 -0.09 0.00 0.00 0.00 0.00 33.22 32.18 3i39 n MET 355 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3i39 s SER 356 N -0.94 1.26 0.22 3.17 0.15 -0.59 -5.12 113.70 111.85 3i39 s SER 356 Ca 0.30 -2.72 0.09 0.00 0.70 0.00 0.00 55.95 54.32 3i39 s SER 356 Cb 0.16 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3i39 s SER 356 CO 0.19 -0.18 -0.04 -0.54 1.20 0.00 0.00 173.24 173.87 3i39 s LYS 357 N 0.37 2.22 -0.08 5.44 1.02 -1.26 -4.47 119.74 122.98 3i39 s LYS 357 Ca 0.30 -1.31 -0.00 0.00 0.02 0.00 0.00 55.97 54.98 3i39 s LYS 357 Cb -0.01 -2.19 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3i39 s LYS 357 CO -0.15 0.41 -0.04 0.42 -0.92 0.00 0.00 175.35 175.08 3i39 s ILE 358 N -1.99 0.64 0.07 2.17 1.01 -1.26 -5.11 121.20 116.74 3i39 s ILE 358 Ca 0.28 -0.07 -0.35 0.00 0.00 0.00 0.00 60.65 60.51 3i39 s ILE 358 Cb -0.08 -0.72 -0.15 0.00 0.01 0.00 0.00 42.46 41.53 3i39 s ILE 358 CO 0.18 0.29 1.56 0.41 0.00 0.00 0.00 174.94 177.38 3i39 n THR 359 N 4.84 0.10 0.00 2.92 -1.04 -1.26 -1.24 114.28 118.60 3i39 n THR 359 Ca -0.12 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3i39 n THR 359 Cb 0.50 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 3i39 n THR 359 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i39 n GLY 360 N 3.34 1.26 3.89 3.41 0.00 -1.26 -4.81 105.19 111.02 3i39 n GLY 360 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3i39 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i39 s ALA 361 N -2.30 3.44 0.06 4.61 0.00 -0.37 -4.98 121.76 122.23 3i39 s ALA 361 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 3i39 s ALA 361 Cb 0.00 -2.56 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 3i39 s ALA 361 CO 0.00 0.07 0.80 0.99 0.00 0.00 0.00 175.76 177.62 3i39 s THR 362 N -2.28 4.67 -0.14 0.00 2.01 -0.80 -4.81 115.64 114.28 3i39 s THR 362 Ca 0.49 1.71 -0.07 0.00 0.31 0.00 0.00 61.69 64.13 3i39 s THR 362 Cb -0.10 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3i39 s THR 362 CO 0.31 0.37 0.09 -2.28 -0.69 0.00 0.00 174.62 172.42 3i39 s HIS 363 N -0.12 3.39 -0.28 4.92 2.46 -1.26 -0.69 115.29 123.71 3i39 s HIS 363 Ca 0.40 0.31 -0.00 0.00 0.47 0.00 0.00 55.06 56.23 3i39 s HIS 363 Cb -0.21 -1.99 0.05 0.00 -0.13 0.00 0.00 32.58 30.30 3i39 s HIS 363 CO 0.24 0.45 -0.04 0.08 -2.47 0.00 0.00 174.74 173.00 3i39 s VAL 364 N -0.38 2.72 -0.10 0.89 1.01 0.37 -4.95 120.40 119.96 3i39 s VAL 364 Ca 0.10 -1.41 -0.32 0.00 0.00 0.00 0.00 61.98 60.35 3i39 s VAL 364 Cb -0.12 -2.54 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 3i39 s VAL 364 CO 0.02 -0.03 1.98 -3.20 0.00 0.00 0.00 175.10 173.87 3i39 n ASN 365 N 4.57 3.50 -4.72 3.32 2.85 -1.26 -4.00 115.26 119.51 3i39 n ASN 365 Ca -0.14 0.80 -0.38 0.00 -0.11 0.00 0.00 54.58 54.75 3i39 n ASN 365 Cb 0.44 -1.43 -0.06 0.00 1.24 0.00 0.00 39.78 39.97 3i39 n ASN 365 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 3i39 s PHE 366 N 5.08 3.51 0.01 1.20 5.36 -1.11 -4.94 117.98 127.09 3i39 s PHE 366 Ca 0.95 0.87 0.03 0.00 -0.96 0.00 0.00 56.93 57.81 3i39 s PHE 366 Cb -0.59 -2.53 -0.01 0.00 -0.34 0.00 0.00 43.02 39.54 3i39 s PHE 366 CO 0.47 0.18 -0.10 0.00 -1.46 0.00 0.00 175.22 174.31 3i39 s ALA 367 N 0.60 0.81 0.20 11.12 0.00 -1.26 -4.97 121.76 128.26 3i39 s ALA 367 Ca 0.25 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 3i39 s ALA 367 Cb -0.15 -0.16 0.23 0.00 0.00 0.00 0.00 23.12 23.04 3i39 s ALA 367 CO 0.10 0.17 1.65 0.93 0.00 0.00 0.00 175.76 178.60 3i39 h GLU 368 N 5.57 0.04 -0.01 0.00 3.07 -1.98 0.12 114.58 121.40 3i39 h GLU 368 Ca -0.33 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3i39 h GLU 368 Cb 1.18 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3i39 h GLU 368 CO 0.47 0.03 0.05 1.05 -1.40 0.00 0.00 179.01 179.22 3i39 h GLU 369 N 0.04 0.00 0.00 2.33 9.09 -1.93 -2.33 114.58 121.79 3i39 h GLU 369 Ca 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.69 3i39 h GLU 369 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.54 3i39 h GLU 369 CO -0.55 0.00 -0.22 0.00 0.05 0.00 0.00 179.01 178.29 3i39 n ALA 370 N -2.10 2.76 -0.35 1.06 0.00 0.37 -4.86 120.51 117.38 3i39 n ALA 370 Ca -0.03 -2.81 -0.03 0.00 0.00 0.00 0.00 53.44 50.58 3i39 n ALA 370 Cb 0.12 -0.38 0.10 0.00 0.00 0.00 0.00 19.45 19.29 3i39 n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i39 h ALA 371 N 0.38 1.21 -0.08 0.00 0.00 -0.80 -0.24 119.26 119.73 3i39 h ALA 371 Ca -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3i39 h ALA 371 Cb 1.03 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3i39 h ALA 371 CO 0.00 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 180.10 3i39 h VAL 372 N 1.31 1.38 -0.37 0.00 2.07 -1.89 -0.77 116.25 117.98 3i39 h VAL 372 Ca 0.34 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3i39 h VAL 372 Cb -0.06 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3i39 h VAL 372 CO -0.06 0.36 0.14 -0.33 0.02 0.00 0.00 177.57 177.69 3i39 h GLU 373 N -0.23 0.52 0.18 1.57 4.39 -1.82 -1.28 114.58 117.91 3i39 h GLU 373 Ca 0.01 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3i39 h GLU 373 Cb 0.62 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3i39 h GLU 373 CO 0.02 0.44 -0.08 -0.91 -1.16 0.00 0.00 179.01 177.32 3i39 h ASN 374 N 0.52 -0.20 -0.68 1.42 -0.26 -0.92 -1.07 115.58 114.39 3i39 h ASN 374 Ca 0.13 -0.07 0.14 0.00 -0.56 0.00 0.00 56.30 55.94 3i39 h ASN 374 Cb 0.12 0.05 -0.10 0.00 -1.06 0.00 0.00 38.32 37.33 3i39 h ASN 374 CO -0.01 -0.06 0.11 0.00 -1.06 0.00 0.00 177.43 176.41 3i39 h ALA 375 N 0.47 0.80 -0.44 -0.83 0.00 -0.81 -1.07 119.26 117.39 3i39 h ALA 375 Ca -0.02 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3i39 h ALA 375 Cb 0.26 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i39 h ALA 375 CO 0.04 -0.35 -0.23 0.87 0.00 0.00 0.00 179.25 179.58 3i39 h LYS 376 N 0.22 0.90 -0.26 0.00 1.57 -0.89 0.65 116.57 118.75 3i39 h LYS 376 Ca 0.37 -0.38 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3i39 h LYS 376 Cb 0.61 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 3i39 h LYS 376 CO -0.50 1.04 0.09 0.37 -0.57 0.00 0.00 179.45 179.88 3i39 h GLN 377 N 0.78 0.20 -0.34 3.15 4.15 -0.84 -0.34 115.11 121.87 3i39 h GLN 377 Ca 0.10 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3i39 h GLN 377 Cb 0.79 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 3i39 h GLN 377 CO 0.07 0.13 0.17 0.82 -1.93 0.00 0.00 178.83 178.09 3i39 h ILE 378 N 0.21 1.16 -0.03 2.39 2.04 -0.75 -2.12 117.51 120.40 3i39 h ILE 378 Ca 0.11 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3i39 h ILE 378 Cb 0.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3i39 h ILE 378 CO -0.12 0.16 -0.33 -0.07 0.00 0.00 0.00 178.15 177.79 3i39 h LEU 379 N 0.41 0.06 -1.01 1.44 3.38 -0.80 -1.43 115.31 117.36 3i39 h LEU 379 Ca 0.12 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3i39 h LEU 379 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3i39 h LEU 379 CO -0.02 0.39 -0.45 0.03 0.09 0.00 0.00 178.44 178.48 3i39 h ARG 380 N 0.05 0.09 -0.50 1.13 3.08 -0.84 0.78 114.38 118.17 3i39 h ARG 380 Ca 0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3i39 h ARG 380 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3i39 h ARG 380 CO 0.04 0.53 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.27 3i39 h LEU 381 N 0.07 0.98 -0.44 3.04 3.38 -0.60 -1.92 115.31 119.83 3i39 h LEU 381 Ca 0.00 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3i39 h LEU 381 Cb 0.83 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3i39 h LEU 381 CO 0.06 1.12 0.17 0.00 0.09 0.00 0.00 178.44 179.88 3i39 h ALA 382 N 0.89 0.58 -0.80 1.53 0.00 -0.70 -1.13 119.26 119.63 3i39 h ALA 382 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i39 h ALA 382 Cb 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3i39 h ALA 382 CO 0.05 0.20 0.42 0.82 0.00 0.00 0.00 179.25 180.74 3i39 h ILE 383 N 0.57 1.24 -0.76 0.00 2.04 -0.75 -0.19 117.51 119.68 3i39 h ILE 383 Ca 0.15 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3i39 h ILE 383 Cb 0.21 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3i39 h ILE 383 CO -0.01 0.28 0.44 0.44 0.00 0.00 0.00 178.15 179.30 3i39 h ASP 384 N 1.12 0.92 -0.30 1.72 3.45 -1.11 -1.05 116.42 121.17 3i39 h ASP 384 Ca 0.28 -0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.52 3i39 h ASP 384 Cb 0.06 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 3i39 h ASP 384 CO -0.04 0.72 -0.44 0.74 -1.57 0.00 0.00 179.24 178.64 3i39 h THR 385 N 1.05 1.28 -0.40 0.35 2.02 -0.73 -2.00 112.91 114.48 3i39 h THR 385 Ca 0.27 -1.62 0.07 0.00 0.77 0.00 0.00 66.41 65.90 3i39 h THR 385 Cb -0.02 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 3i39 h THR 385 CO -0.05 0.53 -0.00 0.15 0.37 0.00 0.00 175.52 176.52 3i39 h PHE 386 N 0.69 -0.03 -0.42 3.16 3.57 -0.59 -1.83 116.94 121.49 3i39 h PHE 386 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3i39 h PHE 386 Cb 1.03 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 3i39 h PHE 386 CO 0.06 -0.08 0.17 0.87 -2.23 0.00 0.00 178.31 177.09 3i39 h LYS 387 N 0.10 0.59 0.00 1.11 1.57 -0.75 -1.99 116.57 117.21 3i39 h LYS 387 Ca 0.20 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3i39 h LYS 387 Cb 0.28 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3i39 h LYS 387 CO -0.34 0.49 -0.10 0.00 -0.57 0.00 0.00 179.45 178.93 3i39 h ARG 388 N 0.59 0.00 -0.57 3.15 3.08 -0.61 -2.37 114.38 117.65 3i39 h ARG 388 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i39 h ARG 388 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i39 h ARG 388 CO -0.01 0.10 0.00 2.89 -1.07 0.00 0.00 179.97 181.88 3i39 n ARG 389 N -3.41 4.28 -1.62 0.04 1.85 -0.76 -4.91 116.66 112.13 3i39 n ARG 389 Ca -0.01 -3.02 -0.54 0.00 -1.00 0.00 0.00 57.85 53.27 3i39 n ARG 389 Cb 0.27 -2.08 -0.07 0.00 -1.05 0.00 0.00 32.46 29.53 3i39 n ARG 389 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3i39 n LYS 390 N 0.71 1.25 -1.26 2.89 4.81 -0.90 -0.89 118.16 124.78 3i39 n LYS 390 Ca 0.26 0.43 -0.00 0.00 -0.87 0.00 0.00 58.31 58.13 3i39 n LYS 390 Cb 1.05 -2.26 -0.00 0.00 0.02 0.00 0.00 35.03 33.84 3i39 n LYS 390 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i39 n GLY 391 N 4.97 0.39 3.47 3.14 0.00 -1.26 -5.02 105.19 110.89 3i39 n GLY 391 Ca 0.31 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3i39 n GLY 391 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i39 s LYS 392 N -2.53 3.71 0.51 1.61 2.47 -0.07 -5.06 119.74 120.39 3i39 s LYS 392 Ca 0.00 -0.45 -0.23 0.00 -1.56 0.00 0.00 55.97 53.73 3i39 s LYS 392 Cb 0.00 -3.37 -0.06 0.00 -1.46 0.00 0.00 37.83 32.94 3i39 s LYS 392 CO 0.00 -0.16 1.38 -0.35 0.16 0.00 0.00 175.35 176.38 3i39 n PRO 393 N 4.87 1.88 -4.42 4.03 -0.04 -1.26 -5.03 135.00 135.03 3i39 n PRO 393 Ca -0.16 0.68 -0.24 0.00 -0.04 0.00 0.00 63.50 63.74 3i39 n PRO 393 Cb 0.52 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.27 3i39 n PRO 393 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i39 s VAL 394 N -1.26 2.28 -0.46 0.52 -7.23 -1.26 -4.96 120.40 108.04 3i39 s VAL 394 Ca 0.68 -2.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 3i39 s VAL 394 Cb -0.43 -2.15 0.13 0.00 0.56 0.00 0.00 36.38 34.49 3i39 s VAL 394 CO 0.52 -0.29 0.22 -0.70 -0.31 0.00 0.00 175.10 174.54 3i39 s GLU 395 N -3.08 1.63 -0.36 4.82 2.12 0.14 -5.05 118.70 118.93 3i39 s GLU 395 Ca 0.24 -2.26 -0.14 0.00 0.36 0.00 0.00 54.97 53.17 3i39 s GLU 395 Cb -0.06 -2.93 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 3i39 s GLU 395 CO 0.11 -1.10 0.28 0.42 -0.54 0.00 0.00 175.26 174.43 3i39 s ILE 396 N 0.16 5.26 0.34 -3.70 1.01 -1.26 -4.41 121.20 118.60 3i39 s ILE 396 Ca 0.16 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 3i39 s ILE 396 Cb -0.24 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.33 3i39 s ILE 396 CO -0.02 -0.09 1.53 -2.65 0.00 0.00 0.00 174.94 173.71 3i39 n PRO 397 N 5.18 2.68 -1.53 2.79 -0.02 -1.26 -4.82 135.00 138.02 3i39 n PRO 397 Ca -0.12 0.94 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 3i39 n PRO 397 Cb 0.49 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 3i39 n PRO 397 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3i39 n ASN 398 N 1.22 7.72 -3.73 2.55 5.15 -1.26 -3.01 115.26 123.89 3i39 n ASN 398 Ca 0.05 -2.84 -0.27 0.00 -0.60 0.00 0.00 54.58 50.92 3i39 n ASN 398 Cb 0.38 -1.43 -0.17 0.00 -0.53 0.00 0.00 39.78 38.03 3i39 n ASN 398 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i39 s ILE 399 N 0.27 0.46 0.11 -1.44 1.01 -1.26 -4.96 121.20 115.38 3i39 s ILE 399 Ca 0.63 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 3i39 s ILE 399 Cb 0.23 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.81 3i39 s ILE 399 CO -0.08 -0.12 0.29 -1.59 0.00 0.00 0.00 174.94 173.44 3i39 s LYS 400 N 1.90 0.97 0.21 2.79 -2.85 -1.26 -1.01 119.74 120.48 3i39 s LYS 400 Ca 0.00 -0.85 0.11 0.00 -1.00 0.00 0.00 55.97 54.23 3i39 s LYS 400 Cb -0.16 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 3i39 s LYS 400 CO -0.08 -0.35 -0.22 0.95 0.10 0.00 0.00 175.35 175.76 3i39 s THR 401 N -3.84 2.46 0.18 3.79 -4.23 -0.10 -4.95 115.64 108.95 3i39 s THR 401 Ca 0.05 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 58.19 3i39 s THR 401 Cb 0.03 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.60 3i39 s THR 401 CO -0.11 -0.17 1.00 -0.54 -0.54 0.00 0.00 174.62 174.26 3i39 s LYS 402 N -2.84 4.72 -0.11 3.99 1.02 -1.26 -1.26 119.74 123.99 3i39 s LYS 402 Ca 0.23 1.55 -0.00 0.00 0.02 0.00 0.00 55.97 57.77 3i39 s LYS 402 Cb -0.07 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3i39 s LYS 402 CO 0.11 0.27 -0.08 0.08 -0.92 0.00 0.00 175.35 174.81 3i39 s VAL 403 N -0.49 1.02 -0.23 3.17 1.01 0.34 -3.59 120.40 121.63 3i39 s VAL 403 Ca 0.46 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3i39 s VAL 403 Cb -0.26 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3i39 s VAL 403 CO 0.33 0.37 0.13 -0.69 0.00 0.00 0.00 175.10 175.23 3i39 s VAL 404 N 1.66 5.14 0.00 2.92 1.01 0.11 -0.12 120.40 131.12 3i39 s VAL 404 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3i39 s VAL 404 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3i39 s VAL 404 CO -0.08 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.40 3i39 n ALA 405 N 4.14 0.00 -0.94 5.51 0.00 -0.21 -4.68 120.51 124.33 3i39 n ALA 405 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3i39 n ALA 405 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i39 n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i39 n GLY 406 N 0.00 0.75 2.82 0.00 0.00 -1.24 -1.31 105.19 106.21 3i39 n GLY 406 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3i39 n GLY 406 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i39 n PHE 407 N -2.79 2.95 -0.63 1.61 3.01 -0.64 -3.22 117.46 117.74 3i39 n PHE 407 Ca 0.00 -2.80 -0.31 0.00 1.01 0.00 0.00 57.45 55.35 3i39 n PHE 407 Cb 0.14 -1.99 0.19 0.00 -0.01 0.00 0.00 39.48 37.81 3i39 n PHE 407 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i39 n SER 408 N 3.92 -1.16 0.05 4.37 3.41 -1.26 -4.14 113.62 118.82 3i39 n SER 408 Ca 0.42 0.14 -0.01 0.00 -0.26 0.00 0.00 58.87 59.16 3i39 n SER 408 Cb 0.36 -1.29 0.26 0.00 -0.26 0.00 0.00 64.21 63.28 3i39 n SER 408 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i39 h THR 409 N -2.11 1.25 -0.64 6.66 2.02 -1.92 0.04 112.91 118.20 3i39 h THR 409 Ca -0.50 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 3i39 h THR 409 Cb 1.30 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 3i39 h THR 409 CO 0.42 0.36 0.40 -0.33 0.37 0.00 0.00 175.52 176.74 3i39 h GLU 410 N 0.34 0.86 -0.80 6.66 3.07 -1.91 0.45 114.58 123.24 3i39 h GLU 410 Ca 0.06 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 3i39 h GLU 410 Cb 0.59 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 3i39 h GLU 410 CO 0.04 0.60 0.38 0.00 -1.40 0.00 0.00 179.01 178.64 3i39 h ALA 411 N 1.21 1.04 -0.28 3.43 0.00 -1.57 0.53 119.26 123.61 3i39 h ALA 411 Ca 0.23 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3i39 h ALA 411 Cb -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3i39 h ALA 411 CO -0.05 0.60 -0.27 0.82 0.00 0.00 0.00 179.25 180.36 3i39 h ILE 412 N 1.14 1.30 -0.69 0.00 2.04 -0.57 0.06 117.51 120.80 3i39 h ILE 412 Ca 0.28 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3i39 h ILE 412 Cb 0.12 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3i39 h ILE 412 CO -0.03 0.46 0.44 0.40 0.00 0.00 0.00 178.15 179.41 3i39 h ILE 413 N 0.42 1.19 -0.58 -0.67 2.04 -0.78 -0.59 117.51 118.54 3i39 h ILE 413 Ca 0.05 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3i39 h ILE 413 Cb 0.83 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3i39 h ILE 413 CO 0.07 0.18 0.35 -1.13 0.00 0.00 0.00 178.15 177.62 3i39 h ASN 414 N 0.93 0.69 -0.41 1.72 -1.24 -0.65 0.47 115.58 117.10 3i39 h ASN 414 Ca 0.25 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 3i39 h ASN 414 Cb -0.08 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 3i39 h ASN 414 CO -0.05 0.54 0.16 0.00 -1.29 0.00 0.00 177.43 176.79 3i39 h ALA 415 N 1.18 0.53 -0.49 1.57 0.00 -0.54 -2.40 119.26 119.11 3i39 h ALA 415 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i39 h ALA 415 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3i39 h ALA 415 CO -0.04 0.13 0.11 -0.07 0.00 0.00 0.00 179.25 179.39 3i39 h LEU 416 N 0.51 0.69 -2.30 0.00 3.38 -0.87 -2.76 115.31 113.97 3i39 h LEU 416 Ca 0.14 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3i39 h LEU 416 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3i39 h LEU 416 CO -0.01 0.69 0.17 0.77 0.09 0.00 0.00 178.44 180.15 3i39 h SER 417 N 0.72 0.00 0.55 -0.43 4.64 -0.37 -0.07 113.55 118.59 3i39 h SER 417 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3i39 h SER 417 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3i39 h SER 417 CO -0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 3i39 h LYS 418 N 0.00 0.00 0.00 4.77 1.79 -1.44 -2.32 116.57 119.37 3i39 h LYS 418 Ca 0.06 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 3i39 h LYS 418 Cb 0.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3i39 h LYS 418 CO -0.00 0.00 -1.75 1.28 -1.08 0.00 0.00 179.45 177.90 3i39 n LEU 419 N -2.82 0.38 -3.19 2.94 4.77 -0.07 -4.87 117.00 114.14 3i39 n LEU 419 Ca -0.00 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.15 3i39 n LEU 419 Cb 0.19 0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3i39 n LEU 419 CO 0.22 0.11 0.07 0.21 -1.33 0.00 0.00 177.39 176.67 3i39 s ASN 420 N -5.20 -1.34 0.19 -1.43 3.84 -0.97 -5.01 114.94 105.02 3i39 s ASN 420 Ca -0.06 -0.28 -0.11 0.00 0.21 0.00 0.00 52.86 52.62 3i39 s ASN 420 Cb 0.10 1.89 0.12 0.00 -0.55 0.00 0.00 41.25 42.80 3i39 s ASN 420 CO 0.85 -0.25 1.83 0.00 -2.79 0.00 0.00 177.10 176.73 3i39 h ALA 421 N 7.61 0.86 -0.13 1.71 0.00 -1.73 -2.98 119.26 124.59 3i39 h ALA 421 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i39 h ALA 421 Cb 1.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i39 h ALA 421 CO 0.14 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.82 3i39 n ASN 422 N -4.55 3.01 -3.07 0.00 3.02 -1.26 -4.44 115.26 107.96 3i39 n ASN 422 Ca 0.05 -1.94 -0.20 0.00 -0.03 0.00 0.00 54.58 52.47 3i39 n ASN 422 Cb 0.06 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3i39 n ASN 422 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i39 n ASP 423 N 1.30 -0.62 0.22 6.41 -0.08 -1.18 -5.02 116.55 117.57 3i39 n ASP 423 Ca 0.15 -2.87 0.06 0.00 -1.51 0.00 0.00 54.79 50.61 3i39 n ASP 423 Cb 0.56 0.02 0.49 0.00 2.34 0.00 0.00 41.12 44.54 3i39 n ASP 423 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i39 h PRO 424 N 3.96 0.00 0.00 -0.67 0.13 -1.74 -1.60 132.00 132.07 3i39 h PRO 424 Ca 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 3i39 h PRO 424 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3i39 h PRO 424 CO 0.42 0.24 -0.41 -0.07 -0.23 0.00 0.00 178.00 177.96 3i39 h LEU 425 N 0.00 0.00 -0.84 1.56 3.38 -1.91 -3.30 115.31 114.21 3i39 h LEU 425 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3i39 h LEU 425 Cb 0.46 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 3i39 h LEU 425 CO 0.03 0.41 0.47 0.50 0.09 0.00 0.00 178.44 179.94 3i39 h LYS 426 N 0.00 0.73 0.00 1.13 3.64 -1.67 -1.75 116.57 118.65 3i39 h LYS 426 Ca -0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3i39 h LYS 426 Cb 0.90 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3i39 h LYS 426 CO 0.05 0.48 -0.21 -1.35 -2.27 0.00 0.00 179.45 176.15 3i39 h PRO 427 N 0.75 0.00 -0.15 1.90 0.11 -1.73 0.34 132.00 133.22 3i39 h PRO 427 Ca 0.42 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.47 3i39 h PRO 427 Cb 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3i39 h PRO 427 CO -0.28 0.21 -0.16 1.25 -0.21 0.00 0.00 178.00 178.81 3i39 h LEU 428 N 0.00 0.39 -0.61 2.35 5.85 -1.54 -2.53 115.31 119.22 3i39 h LEU 428 Ca -0.00 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3i39 h LEU 428 Cb 0.37 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3i39 h LEU 428 CO 0.03 0.80 0.34 0.40 -0.34 0.00 0.00 178.44 179.67 3i39 h ILE 429 N -0.00 1.20 -0.96 4.05 2.04 -0.67 -1.25 117.51 121.91 3i39 h ILE 429 Ca 0.02 -0.49 0.14 0.00 1.00 0.00 0.00 64.86 65.53 3i39 h ILE 429 Cb 0.69 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 3i39 h ILE 429 CO 0.04 0.21 0.58 0.44 0.00 0.00 0.00 178.15 179.42 3i39 h ASP 430 N 0.83 0.81 1.54 1.72 3.32 -0.28 0.25 116.42 124.61 3i39 h ASP 430 Ca 0.22 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3i39 h ASP 430 Cb 0.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3i39 h ASP 430 CO -0.04 0.39 -0.41 0.78 -1.72 0.00 0.00 179.24 178.24 3i39 h ASN 431 N 0.86 0.00 -0.17 6.45 4.21 -0.91 -0.77 115.58 125.25 3i39 h ASN 431 Ca 0.50 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.97 3i39 h ASN 431 Cb 0.59 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 3i39 h ASN 431 CO -0.31 0.01 -0.02 0.58 -1.29 0.00 0.00 177.43 176.40 3i39 h VAL 432 N 0.00 1.27 -0.74 2.81 2.07 -0.53 -0.17 116.25 120.96 3i39 h VAL 432 Ca 0.00 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3i39 h VAL 432 Cb 0.98 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3i39 h VAL 432 CO 0.00 0.28 0.22 0.58 0.02 0.00 0.00 177.57 178.67 3i39 h VAL 433 N 0.04 1.26 -0.01 2.57 2.07 -0.77 -2.52 116.25 118.90 3i39 h VAL 433 Ca 0.05 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3i39 h VAL 433 Cb 0.43 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3i39 h VAL 433 CO 0.01 0.36 -0.03 -0.46 0.02 0.00 0.00 177.57 177.48 3i39 n ASN 434 N -4.25 0.69 0.00 0.57 0.23 -0.31 -4.80 115.26 107.39 3i39 n ASN 434 Ca 0.06 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 3i39 n ASN 434 Cb 0.24 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 3i39 n ASN 434 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i39 n GLY 435 N 1.13 0.80 0.32 4.83 0.00 -0.90 -4.92 105.19 106.46 3i39 n GLY 435 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 3i39 n GLY 435 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i39 h ASN 436 N 0.00 1.07 -3.60 1.61 2.35 -1.54 -3.37 115.58 112.09 3i39 h ASN 436 Ca 0.00 -0.21 -0.65 0.00 -0.55 0.00 0.00 56.30 54.88 3i39 h ASN 436 Cb 0.00 -0.28 -0.23 0.00 0.05 0.00 0.00 38.32 37.86 3i39 h ASN 436 CO 0.00 1.00 -0.64 -0.63 -1.65 0.00 0.00 177.43 175.51 3i39 s ILE 437 N -5.39 4.17 0.03 2.81 -1.09 -0.18 -2.28 121.20 119.27 3i39 s ILE 437 Ca -0.12 -0.23 -0.18 0.00 -2.23 0.00 0.00 60.65 57.88 3i39 s ILE 437 Cb 0.15 -2.95 -0.23 0.00 -1.58 0.00 0.00 42.46 37.85 3i39 s ILE 437 CO 0.84 0.34 1.14 -0.09 -1.23 0.00 0.00 174.94 175.95 3i39 h ARG 438 N 8.22 0.51 0.00 2.79 2.43 -1.02 -3.34 114.38 123.96 3i39 h ARG 438 Ca -0.39 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.26 3i39 h ARG 438 Cb 1.17 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3i39 h ARG 438 CO 0.58 1.16 0.00 0.41 -1.51 0.00 0.00 179.97 180.61 3i39 n GLY 439 N 1.02 1.02 3.15 2.80 0.00 -1.26 -4.91 105.19 107.01 3i39 n GLY 439 Ca -0.10 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 3i39 n GLY 439 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i39 s VAL 440 N -2.22 1.48 -0.09 1.61 1.01 -0.17 -0.85 120.40 121.17 3i39 s VAL 440 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3i39 s VAL 440 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3i39 s VAL 440 CO 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 175.10 175.33 3i39 s LEU 442 N 0.45 4.63 0.07 0.00 2.96 -0.48 -1.48 118.68 124.84 3i39 s LEU 442 Ca -0.17 -0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 52.98 3i39 s LEU 442 Cb -0.17 -2.19 -0.06 0.00 0.50 0.00 0.00 46.19 44.27 3i39 s LEU 442 CO 0.07 -0.31 0.83 -0.36 -1.32 0.00 0.00 176.35 175.26 3i39 s PHE 443 N 1.78 3.77 0.18 5.38 0.08 -0.22 -0.22 117.98 128.74 3i39 s PHE 443 Ca 0.07 1.59 -0.08 0.00 0.12 0.00 0.00 56.93 58.62 3i39 s PHE 443 Cb -0.18 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.37 3i39 s PHE 443 CO 0.11 0.27 0.29 0.00 -0.10 0.00 0.00 175.22 175.79 3i39 s ALA 444 N -0.11 0.14 0.00 5.36 0.00 -0.59 -1.51 121.76 125.05 3i39 s ALA 444 Ca 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3i39 s ALA 444 Cb -0.22 0.97 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3i39 s ALA 444 CO 0.25 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.75 3i39 n GLY 445 N -0.25 -1.96 3.75 0.00 0.00 -1.26 -3.94 105.19 101.53 3i39 n GLY 445 Ca -0.05 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 3i39 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i39 s ASN 447 N -5.43 5.98 -0.07 0.00 0.01 -1.22 -3.93 114.94 110.28 3i39 s ASN 447 Ca 0.70 0.02 -0.03 0.00 -0.71 0.00 0.00 52.86 52.84 3i39 s ASN 447 Cb -0.03 -1.44 0.04 0.00 0.41 0.00 0.00 41.25 40.24 3i39 s ASN 447 CO 0.48 -0.47 0.15 0.21 -1.51 0.00 0.00 177.10 175.96 3i39 s ASN 448 N -4.16 0.15 0.64 -1.22 3.84 -1.08 -4.40 114.94 108.71 3i39 s ASN 448 Ca 0.44 0.31 0.30 0.00 0.21 0.00 0.00 52.86 54.12 3i39 s ASN 448 Cb -0.10 0.22 1.60 0.00 -0.55 0.00 0.00 41.25 42.42 3i39 s ASN 448 CO 0.33 -0.18 1.93 1.62 -2.79 0.00 0.00 177.10 178.01 3i39 h VAL 449 N 6.16 0.11 0.00 -5.21 3.04 -1.95 0.29 116.25 118.69 3i39 h VAL 449 Ca -0.34 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.29 3i39 h VAL 449 Cb 1.13 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 3i39 h VAL 449 CO 0.34 0.00 -0.29 0.11 -1.01 0.00 0.00 177.57 176.72 3i39 h LYS 450 N 0.00 0.00 -5.28 4.17 1.57 -1.98 -3.42 116.57 111.64 3i39 h LYS 450 Ca 0.05 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.19 3i39 h LYS 450 Cb 0.76 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.84 3i39 h LYS 450 CO -0.00 0.29 -0.69 0.08 -0.57 0.00 0.00 179.45 178.56 3i39 s VAL 451 N -4.17 3.70 -0.06 0.50 1.01 0.09 -5.07 120.40 116.39 3i39 s VAL 451 Ca -0.03 -0.42 -0.36 0.00 0.00 0.00 0.00 61.98 61.17 3i39 s VAL 451 Cb 0.14 -2.61 -0.14 0.00 0.00 0.00 0.00 36.38 33.76 3i39 s VAL 451 CO 0.68 0.49 1.69 -2.65 0.00 0.00 0.00 175.10 175.32 3i39 n PRO 452 N 3.64 1.72 -1.68 2.72 -0.02 -1.26 -4.65 135.00 135.48 3i39 n PRO 452 Ca -0.18 0.63 -0.47 0.00 -2.02 0.00 0.00 63.50 61.46 3i39 n PRO 452 Cb 0.52 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3i39 n PRO 452 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3i39 n GLN 453 N 4.97 2.19 -0.15 -0.52 7.27 -0.24 -1.37 117.38 129.53 3i39 n GLN 453 Ca 0.22 0.80 0.00 0.00 0.07 0.00 0.00 57.00 58.09 3i39 n GLN 453 Cb 0.23 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.26 3i39 n GLN 453 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3i39 n ASP 454 N 5.33 0.00 -0.26 1.69 8.00 -1.26 -1.82 116.55 128.23 3i39 n ASP 454 Ca 0.20 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.65 3i39 n ASP 454 Cb 0.30 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.45 3i39 n ASP 454 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3i39 h GLN 455 N 2.54 0.97 -0.07 -1.24 4.15 -1.56 -0.79 115.11 119.11 3i39 h GLN 455 Ca 0.00 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 3i39 h GLN 455 Cb 0.00 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 3i39 h GLN 455 CO 0.00 0.70 -0.11 -0.91 -1.93 0.00 0.00 178.83 176.58 3i39 h ASN 456 N 0.97 0.23 -0.18 -0.69 2.35 -1.89 -1.80 115.58 114.57 3i39 h ASN 456 Ca 0.25 -0.53 0.05 0.00 -0.55 0.00 0.00 56.30 55.52 3i39 h ASN 456 Cb -0.01 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 3i39 h ASN 456 CO -0.05 0.72 -0.13 -0.26 -1.65 0.00 0.00 177.43 176.06 3i39 h PHE 457 N -0.26 -0.33 -0.11 1.19 -1.00 -1.81 -0.76 116.94 113.86 3i39 h PHE 457 Ca 0.01 0.02 -0.18 0.00 2.81 0.00 0.00 57.97 60.63 3i39 h PHE 457 Cb 0.67 0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 3i39 h PHE 457 CO 0.10 -0.20 -0.69 1.79 -1.61 0.00 0.00 178.31 177.71 3i39 h THR 458 N -0.14 1.36 -0.12 -1.55 1.35 -1.20 -0.56 112.91 112.05 3i39 h THR 458 Ca 0.11 -2.04 -0.01 0.00 -0.55 0.00 0.00 66.41 63.91 3i39 h THR 458 Cb 0.30 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3i39 h THR 458 CO -0.26 0.62 0.02 0.74 -0.25 0.00 0.00 175.52 176.38 3i39 h THR 459 N 0.33 1.22 -0.07 6.82 2.02 -1.14 -0.21 112.91 121.90 3i39 h THR 459 Ca -0.02 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3i39 h THR 459 Cb 1.26 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 69.14 3i39 h THR 459 CO 0.12 0.20 -0.00 0.40 0.37 0.00 0.00 175.52 176.61 3i39 h ILE 460 N -0.04 1.26 -0.94 3.11 2.04 -1.16 -2.96 117.51 118.82 3i39 h ILE 460 Ca 0.03 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.14 3i39 h ILE 460 Cb 0.30 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 3i39 h ILE 460 CO 0.00 0.22 0.60 0.00 0.00 0.00 0.00 178.15 178.98 3i39 h ALA 461 N 0.71 1.28 -0.74 1.87 0.00 -1.02 -1.59 119.26 119.77 3i39 h ALA 461 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3i39 h ALA 461 Cb 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i39 h ALA 461 CO 0.00 0.42 0.28 0.00 0.00 0.00 0.00 179.25 179.95 3i39 h ARG 462 N 1.13 1.10 -0.30 0.00 3.08 -0.96 0.35 114.38 118.77 3i39 h ARG 462 Ca 0.40 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 3i39 h ARG 462 Cb 0.10 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3i39 h ARG 462 CO -0.15 0.91 -0.41 -0.22 -1.07 0.00 0.00 179.97 179.02 3i39 h LYS 463 N 1.08 0.81 -0.44 0.04 3.64 -1.29 -2.26 116.57 118.15 3i39 h LYS 463 Ca 0.25 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 3i39 h LYS 463 Cb 0.23 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3i39 h LYS 463 CO -0.02 1.10 -0.13 -0.07 -2.27 0.00 0.00 179.45 178.06 3i39 h LEU 464 N 0.58 0.88 -0.73 5.20 3.38 -0.97 -2.48 115.31 121.17 3i39 h LEU 464 Ca 0.03 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3i39 h LEU 464 Cb 1.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3i39 h LEU 464 CO 0.10 1.05 0.23 -0.07 0.09 0.00 0.00 178.44 179.84 3i39 h LEU 465 N 0.70 1.06 -1.71 1.67 3.38 -0.83 -1.03 115.31 118.55 3i39 h LEU 465 Ca 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3i39 h LEU 465 Cb 0.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3i39 h LEU 465 CO 0.05 0.98 -0.18 0.11 0.09 0.00 0.00 178.44 179.49 3i39 h LYS 466 N 1.08 0.00 -0.66 1.13 1.79 -1.22 0.34 116.57 119.03 3i39 h LYS 466 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3i39 h LYS 466 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3i39 h LYS 466 CO -0.01 0.18 0.00 1.04 -1.08 0.00 0.00 179.45 179.58 3i39 n GLN 467 N -4.01 3.05 -2.14 3.15 1.13 -0.63 -4.12 117.38 113.81 3i39 n GLN 467 Ca -0.02 -1.88 -0.13 0.00 -1.94 0.00 0.00 57.00 53.04 3i39 n GLN 467 Cb 0.26 -1.80 -0.01 0.00 0.11 0.00 0.00 30.24 28.79 3i39 n GLN 467 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i39 n ASN 468 N 0.52 -4.05 -4.73 1.08 3.02 -0.79 -4.51 115.26 105.80 3i39 n ASN 468 Ca 0.17 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.33 3i39 n ASN 468 Cb 0.71 -3.19 -0.04 0.00 -0.61 0.00 0.00 39.78 36.66 3i39 n ASN 468 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i39 s VAL 469 N -2.61 4.56 -0.38 2.41 1.01 -0.49 -0.60 120.40 124.31 3i39 s VAL 469 Ca 0.00 2.07 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 3i39 s VAL 469 Cb 0.00 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.07 3i39 s VAL 469 CO 0.00 0.29 1.28 -0.22 0.00 0.00 0.00 175.10 176.45 3i39 s LEU 470 N 0.17 3.73 -0.21 3.92 2.96 -0.03 -4.49 118.68 124.73 3i39 s LEU 470 Ca 0.48 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 55.22 3i39 s LEU 470 Cb -0.23 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 3i39 s LEU 470 CO 0.30 -1.22 0.06 -0.69 -1.32 0.00 0.00 176.35 173.48 3i39 s VAL 471 N 4.68 4.48 0.21 1.68 1.01 -1.26 -1.09 120.40 130.11 3i39 s VAL 471 Ca 0.55 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.51 3i39 s VAL 471 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3i39 s VAL 471 CO 0.27 0.40 -0.20 0.68 0.00 0.00 0.00 175.10 176.25 3i39 s VAL 472 N 0.97 2.54 0.03 2.92 -7.23 -0.55 -1.54 120.40 117.55 3i39 s VAL 472 Ca 0.04 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.01 3i39 s VAL 472 Cb -0.14 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.57 3i39 s VAL 472 CO 0.03 -0.18 0.34 0.00 -0.31 0.00 0.00 175.10 174.98 3i39 s ALA 473 N -1.85 -0.81 0.22 1.32 0.00 -0.48 -1.06 121.76 119.11 3i39 s ALA 473 Ca 0.23 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 3i39 s ALA 473 Cb -0.07 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3i39 s ALA 473 CO 0.12 -0.39 0.19 0.95 0.00 0.00 0.00 175.76 176.64 3i39 s THR 474 N -2.22 0.00 0.00 0.00 -4.23 -0.57 -0.97 115.64 107.65 3i39 s THR 474 Ca -0.07 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3i39 s THR 474 Cb -0.02 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3i39 s THR 474 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3i39 n GLY 475 N -0.33 2.68 0.06 3.99 0.00 -0.10 -1.31 105.19 110.18 3i39 n GLY 475 Ca 0.02 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i39 n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i39 h GLY 477 N 4.31 0.70 1.27 0.00 0.00 -0.52 0.50 103.07 109.34 3i39 h GLY 477 Ca 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 47.33 46.04 3i39 h GLY 477 CO 0.00 1.10 0.24 0.00 0.00 0.00 0.00 176.54 177.88 3i39 h ALA 478 N 0.37 1.23 -0.17 3.60 0.00 -0.74 -1.58 119.26 121.98 3i39 h ALA 478 Ca -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i39 h ALA 478 Cb 1.62 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3i39 h ALA 478 CO 0.19 0.56 0.11 0.78 0.00 0.00 0.00 179.25 180.88 3i39 h GLY 479 N 1.02 0.24 0.45 0.00 0.00 -0.96 0.20 103.07 104.01 3i39 h GLY 479 Ca 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.48 3i39 h GLY 479 CO -0.02 0.09 -0.28 0.00 0.00 0.00 0.00 176.54 176.34 3i39 h ALA 480 N 1.05 -0.42 -0.69 3.60 0.00 -0.64 -1.39 119.26 120.75 3i39 h ALA 480 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i39 h ALA 480 Cb -0.01 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3i39 h ALA 480 CO -0.01 -0.80 0.41 -0.07 0.00 0.00 0.00 179.25 178.78 3i39 h LEU 481 N -0.45 0.84 -0.15 0.00 3.38 -1.11 -2.65 115.31 115.16 3i39 h LEU 481 Ca 0.05 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i39 h LEU 481 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i39 h LEU 481 CO -0.20 0.67 0.07 0.24 0.09 0.00 0.00 178.44 179.30 3i39 h MET 482 N 0.95 0.15 0.00 1.13 2.86 -0.40 -0.13 114.93 119.49 3i39 h MET 482 Ca 0.25 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3i39 h MET 482 Cb -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3i39 h MET 482 CO -0.04 0.10 0.00 0.54 1.06 0.00 0.00 176.91 178.57 3i39 n ARG 483 N -5.03 0.20 -0.37 1.72 1.74 -0.54 -2.08 116.66 112.30 3i39 n ARG 483 Ca -0.04 0.42 0.08 0.00 -0.77 0.00 0.00 57.85 57.54 3i39 n ARG 483 Cb 0.05 -1.88 0.25 0.00 -1.02 0.00 0.00 32.46 29.86 3i39 n ARG 483 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i39 n HIS 484 N -2.26 0.88 -0.24 -1.55 8.25 -0.99 -4.80 115.22 114.52 3i39 n HIS 484 Ca 0.02 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 3i39 n HIS 484 Cb 0.24 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3i39 n HIS 484 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i39 n GLY 485 N 0.61 0.70 0.00 -1.41 0.00 -0.88 -4.95 105.19 99.26 3i39 n GLY 485 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3i39 n GLY 485 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i39 n PHE 486 N -2.08 0.00 -0.83 1.61 3.01 -0.10 -2.60 117.46 116.48 3i39 n PHE 486 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 3i39 n PHE 486 Cb 0.00 -0.35 0.24 0.00 -0.01 0.00 0.00 39.48 39.36 3i39 n PHE 486 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3i39 n MET 487 N -1.35 2.93 -3.57 -1.08 2.81 -1.26 -1.96 117.12 113.64 3i39 n MET 487 Ca 0.11 -2.69 -0.40 0.00 -1.81 0.00 0.00 57.70 52.92 3i39 n MET 487 Cb 0.26 -1.74 -0.11 0.00 -0.71 0.00 0.00 33.22 30.92 3i39 n MET 487 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3i39 s ASP 488 N -1.74 5.90 0.64 7.83 -1.08 -1.07 -0.71 116.67 126.44 3i39 s ASP 488 Ca 0.38 -0.47 0.41 0.00 -0.52 0.00 0.00 52.55 52.35 3i39 s ASP 488 Cb 0.30 -2.10 2.25 0.00 -1.46 0.00 0.00 42.92 41.91 3i39 s ASP 488 CO 0.10 -0.23 2.27 -0.65 0.52 0.00 0.00 175.17 177.18 3i39 h PRO 489 N 8.45 0.00 0.00 4.34 0.11 -1.87 0.30 132.00 143.33 3i39 h PRO 489 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3i39 h PRO 489 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i39 h PRO 489 CO 0.63 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3i39 h ALA 490 N 1.92 1.00 -0.36 -0.75 0.00 -1.93 -2.19 119.26 116.95 3i39 h ALA 490 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i39 h ALA 490 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i39 h ALA 490 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3i39 n ASN 491 N -3.08 2.92 -0.22 0.00 5.03 0.09 -4.52 115.26 115.48 3i39 n ASN 491 Ca -0.03 -1.92 -0.05 0.00 0.87 0.00 0.00 54.58 53.45 3i39 n ASN 491 Cb 0.09 -0.23 0.05 0.00 -1.02 0.00 0.00 39.78 38.66 3i39 n ASN 491 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3i39 h VAL 492 N 3.69 1.13 -0.26 2.41 2.07 -1.54 -1.30 116.25 122.44 3i39 h VAL 492 Ca 0.00 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3i39 h VAL 492 Cb 0.82 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3i39 h VAL 492 CO 0.00 0.15 0.06 0.44 0.02 0.00 0.00 177.57 178.24 3i39 h ASP 493 N 0.82 0.03 -0.42 0.57 3.32 -1.82 -0.92 116.42 118.00 3i39 h ASP 493 Ca 0.24 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 3i39 h ASP 493 Cb -0.05 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3i39 h ASP 493 CO -0.07 0.05 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.26 3i39 h GLU 494 N 0.16 0.85 0.00 3.56 4.81 -1.81 -3.37 114.58 118.78 3i39 h GLU 494 Ca 0.12 -0.35 -0.29 0.00 -0.13 0.00 0.00 59.36 58.71 3i39 h GLU 494 Cb 0.11 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3i39 h GLU 494 CO -0.15 0.99 -1.80 1.28 -0.73 0.00 0.00 179.01 178.60 3i39 n LEU 495 N -4.25 0.70 -4.84 1.64 4.77 -0.51 -4.98 117.00 109.54 3i39 n LEU 495 Ca -0.01 0.33 -0.36 0.00 -0.03 0.00 0.00 56.01 55.94 3i39 n LEU 495 Cb 0.41 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 3i39 n LEU 495 CO 0.44 0.37 -0.20 0.00 -1.33 0.00 0.00 177.39 176.68 3i39 n GLY 497 N 1.84 -1.32 0.31 0.00 0.00 0.04 -4.70 105.19 101.36 3i39 n GLY 497 Ca -0.18 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 3i39 n GLY 497 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i39 h ASP 498 N -2.16 0.92 -0.58 1.61 3.45 -1.90 0.38 116.42 118.15 3i39 h ASP 498 Ca -0.50 -0.21 -0.11 0.00 0.43 0.00 0.00 57.03 56.63 3i39 h ASP 498 Cb 1.30 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.81 3i39 h ASP 498 CO 0.43 0.94 -0.06 1.23 -1.57 0.00 0.00 179.24 180.20 3i39 h GLY 499 N 1.02 1.15 1.04 2.75 0.00 -1.92 -1.63 103.07 105.48 3i39 h GLY 499 Ca 0.18 -0.89 -0.14 0.00 0.00 0.00 0.00 47.33 46.48 3i39 h GLY 499 CO 0.01 0.82 -0.37 -2.00 0.00 0.00 0.00 176.54 175.00 3i39 h LEU 500 N 0.95 0.85 -0.90 3.11 5.85 -1.25 -2.28 115.31 121.64 3i39 h LEU 500 Ca 0.16 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3i39 h LEU 500 Cb 0.63 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3i39 h LEU 500 CO 0.04 1.17 0.59 0.50 -0.34 0.00 0.00 178.44 180.40 3i39 h LYS 501 N 0.54 1.12 -0.91 1.25 3.64 -0.81 0.08 116.57 121.48 3i39 h LYS 501 Ca 0.04 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3i39 h LYS 501 Cb 0.96 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3i39 h LYS 501 CO 0.09 0.74 0.57 0.00 -2.27 0.00 0.00 179.45 178.57 3i39 h ALA 502 N 1.36 1.16 -0.01 5.00 0.00 -0.86 0.18 119.26 126.09 3i39 h ALA 502 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i39 h ALA 502 Cb -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3i39 h ALA 502 CO -0.11 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.01 3i39 h VAL 503 N 1.25 1.42 -0.92 0.00 2.07 -0.90 0.10 116.25 119.27 3i39 h VAL 503 Ca 0.33 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.65 3i39 h VAL 503 Cb -0.08 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3i39 h VAL 503 CO -0.06 0.33 0.60 -0.07 0.02 0.00 0.00 177.57 178.38 3i39 h LEU 504 N -0.51 0.95 -0.28 2.57 3.38 -0.83 -0.45 115.31 120.14 3i39 h LEU 504 Ca 0.00 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3i39 h LEU 504 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3i39 h LEU 504 CO 0.00 0.63 -0.21 0.74 0.09 0.00 0.00 178.44 179.69 3i39 h THR 505 N 1.09 1.30 -0.44 0.22 2.02 -0.82 -1.38 112.91 114.90 3i39 h THR 505 Ca 0.38 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 3i39 h THR 505 Cb 0.12 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3i39 h THR 505 CO -0.13 0.43 0.27 0.00 0.37 0.00 0.00 175.52 176.46 3i39 h ALA 506 N 0.72 0.56 -0.16 6.16 0.00 -0.37 0.18 119.26 126.35 3i39 h ALA 506 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i39 h ALA 506 Cb 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i39 h ALA 506 CO 0.06 0.05 0.04 0.82 0.00 0.00 0.00 179.25 180.22 3i39 h ILE 507 N 0.59 1.19 -0.80 0.00 2.04 -1.10 -2.40 117.51 117.03 3i39 h ILE 507 Ca 0.16 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3i39 h ILE 507 Cb -0.01 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3i39 h ILE 507 CO -0.03 0.18 0.45 1.23 0.00 0.00 0.00 178.15 179.99 3i39 h GLY 508 N 0.07 1.18 2.00 5.37 0.00 -0.82 -2.04 103.07 108.82 3i39 h GLY 508 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 3i39 h GLY 508 CO -0.00 0.49 -0.36 0.83 0.00 0.00 0.00 176.54 177.51 3i39 h GLU 509 N 1.11 0.00 0.00 4.80 5.08 -0.63 -1.12 114.58 123.83 3i39 h GLU 509 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3i39 h GLU 509 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i39 h GLU 509 CO -0.05 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 3i39 h ALA 510 N 1.64 1.00 -0.74 3.43 0.00 -0.89 -2.09 119.26 121.61 3i39 h ALA 510 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i39 h ALA 510 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i39 h ALA 510 CO 0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3i39 n ASN 511 N -2.72 3.98 0.00 0.00 4.13 -0.51 -4.88 115.26 115.26 3i39 n ASN 511 Ca 0.05 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.31 3i39 n ASN 511 Cb 0.47 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 3i39 n ASN 511 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i39 n GLY 512 N 1.67 0.43 0.13 7.41 0.00 -0.79 -4.95 105.19 109.10 3i39 n GLY 512 Ca 0.25 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.30 3i39 n GLY 512 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i39 h LEU 513 N 0.00 0.00 0.54 0.99 3.38 -1.48 -3.47 115.31 115.27 3i39 h LEU 513 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3i39 h LEU 513 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3i39 h LEU 513 CO 0.00 0.49 -0.19 0.61 0.09 0.00 0.00 178.44 179.44 3i39 n GLY 514 N 1.27 1.10 0.00 0.83 0.00 -1.26 -4.87 105.19 102.26 3i39 n GLY 514 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3i39 n GLY 514 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i39 n GLY 515 N -1.69 0.91 3.77 -0.02 0.00 -1.26 -5.01 105.19 101.88 3i39 n GLY 515 Ca -0.10 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3i39 n GLY 515 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i39 s PRO 516 N -2.00 2.46 0.89 1.61 0.04 -1.26 -4.12 135.00 132.62 3i39 s PRO 516 Ca 0.00 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 3i39 s PRO 516 Cb 0.00 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 3i39 s PRO 516 CO 0.00 -1.49 0.33 1.28 0.04 0.00 0.00 177.00 177.16 3i39 n LEU 517 N -3.23 -0.49 -4.68 -3.56 4.77 -0.92 -4.81 117.00 104.08 3i39 n LEU 517 Ca 0.09 0.39 -0.29 0.00 -0.03 0.00 0.00 56.01 56.16 3i39 n LEU 517 Cb 0.53 -1.17 0.16 0.00 -2.33 0.00 0.00 43.42 40.61 3i39 n LEU 517 CO 0.52 -3.73 0.65 -2.16 -1.33 0.00 0.00 177.39 171.34 3i39 s PRO 518 N -3.24 0.86 0.32 3.23 0.04 -1.26 -4.74 135.00 130.21 3i39 s PRO 518 Ca 0.58 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.47 3i39 s PRO 518 Cb -0.25 -1.76 0.59 0.00 0.04 0.00 0.00 34.50 33.12 3i39 s PRO 518 CO 0.66 -2.52 1.93 -1.35 0.04 0.00 0.00 177.00 175.76 3i39 h PRO 519 N -1.75 0.92 -4.85 0.56 0.11 -1.79 -3.41 132.00 121.79 3i39 h PRO 519 Ca -0.51 -0.06 -0.55 0.00 0.11 0.00 0.00 66.00 64.99 3i39 h PRO 519 Cb 1.30 -0.21 -0.33 0.00 0.11 0.00 0.00 31.00 31.87 3i39 h PRO 519 CO 0.54 0.61 -0.83 0.08 -0.21 0.00 0.00 178.00 178.18 3i39 s VAL 520 N -5.83 1.36 -0.28 3.15 1.01 -0.83 -4.52 120.40 114.45 3i39 s VAL 520 Ca -0.11 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3i39 s VAL 520 Cb 0.20 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3i39 s VAL 520 CO 0.79 0.40 0.51 -0.76 0.00 0.00 0.00 175.10 176.05 3i39 s LEU 521 N 0.46 4.12 -0.47 3.92 1.43 -0.59 -4.67 118.68 122.88 3i39 s LEU 521 Ca -0.13 0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 3i39 s LEU 521 Cb -0.15 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.46 3i39 s LEU 521 CO 0.04 -0.34 1.13 -2.28 0.23 0.00 0.00 176.35 175.14 3i39 s HIS 522 N 2.34 2.84 -2.79 0.29 5.65 -1.26 -1.38 115.29 120.98 3i39 s HIS 522 Ca 0.21 0.74 0.24 0.00 0.25 0.00 0.00 55.06 56.50 3i39 s HIS 522 Cb -0.16 -4.39 0.30 0.00 -1.18 0.00 0.00 32.58 27.16 3i39 s HIS 522 CO 0.10 -1.24 1.32 -1.33 -0.65 0.00 0.00 174.74 172.95 3i39 n MET 523 N 7.77 2.40 0.00 2.88 2.81 -0.15 -1.62 117.12 131.21 3i39 n MET 523 Ca 0.12 -2.07 0.00 0.00 -1.81 0.00 0.00 57.70 53.94 3i39 n MET 523 Cb 0.49 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3i39 n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i39 n GLY 524 N 1.42 0.20 3.44 3.03 0.00 -1.24 -4.70 105.19 107.33 3i39 n GLY 524 Ca 0.16 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 3i39 n GLY 524 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i39 n SER 525 N 0.00 -0.75 -0.15 1.61 3.41 -1.26 -0.92 113.62 115.55 3i39 n SER 525 Ca 0.00 -1.31 -0.07 0.00 -0.26 0.00 0.00 58.87 57.22 3i39 n SER 525 Cb 0.00 -0.94 0.08 0.00 -0.26 0.00 0.00 64.21 63.09 3i39 n SER 525 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i39 h VAL 527 N 0.84 1.10 0.00 0.00 -1.51 -1.94 -0.90 116.25 113.84 3i39 h VAL 527 Ca 0.14 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 3i39 h VAL 527 Cb 0.58 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3i39 h VAL 527 CO 0.04 0.10 0.00 0.47 -1.23 0.00 0.00 177.57 176.95 3i39 n ASP 528 N -4.46 0.00 -0.07 4.19 10.43 -0.43 -0.97 116.55 125.25 3i39 n ASP 528 Ca 0.01 -1.13 0.24 0.00 2.57 0.00 0.00 54.79 56.49 3i39 n ASP 528 Cb 0.09 0.00 0.71 0.00 1.84 0.00 0.00 41.12 43.76 3i39 n ASP 528 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3i39 h ASN 529 N 0.00 0.00 0.07 -2.24 2.35 -1.00 0.22 115.58 114.98 3i39 h ASN 529 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3i39 h ASN 529 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i39 h ASN 529 CO 0.00 0.00 -0.05 0.77 -1.65 0.00 0.00 177.43 176.50 3i39 h SER 530 N 0.00 0.00 -0.60 5.81 4.64 -1.27 -1.95 113.55 120.17 3i39 h SER 530 Ca 0.32 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.54 3i39 h SER 530 Cb 1.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 3i39 h SER 530 CO -0.00 0.05 -0.02 0.03 -0.87 0.00 0.00 176.83 176.02 3i39 h ARG 531 N 0.00 1.08 -0.92 4.77 3.08 -0.77 0.32 114.38 121.93 3i39 h ARG 531 Ca -0.00 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.71 3i39 h ARG 531 Cb 0.10 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 3i39 h ARG 531 CO 0.01 1.06 0.61 0.00 -1.07 0.00 0.00 179.97 180.58 3i39 h ALA 532 N 0.98 1.17 -0.24 0.04 0.00 -1.38 -0.78 119.26 119.05 3i39 h ALA 532 Ca 0.17 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i39 h ALA 532 Cb 0.59 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3i39 h ALA 532 CO 0.03 0.57 0.02 0.28 0.00 0.00 0.00 179.25 180.15 3i39 h VAL 533 N 1.25 0.85 -0.97 0.00 2.07 -1.08 -0.60 116.25 117.77 3i39 h VAL 533 Ca 0.34 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.86 3i39 h VAL 533 Cb -0.14 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3i39 h VAL 533 CO -0.07 0.02 0.64 0.00 0.02 0.00 0.00 177.57 178.17 3i39 h ALA 534 N 1.19 1.29 -0.14 1.67 0.00 -0.30 0.25 119.26 123.23 3i39 h ALA 534 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3i39 h ALA 534 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3i39 h ALA 534 CO -0.17 0.52 0.02 1.25 0.00 0.00 0.00 179.25 180.86 3i39 h LEU 535 N 1.23 0.22 -0.31 0.00 5.85 -0.81 -0.89 115.31 120.59 3i39 h LEU 535 Ca 0.39 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3i39 h LEU 535 Cb 0.01 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3i39 h LEU 535 CO -0.13 0.43 -0.43 -0.37 -0.34 0.00 0.00 178.44 177.61 3i39 h VAL 536 N -0.00 0.79 -0.26 1.05 -1.51 -0.82 -0.63 116.25 114.88 3i39 h VAL 536 Ca 0.04 -1.91 -0.14 0.00 -1.23 0.00 0.00 66.70 63.45 3i39 h VAL 536 Cb 0.31 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 3i39 h VAL 536 CO 0.00 0.42 -0.43 0.00 -1.23 0.00 0.00 177.57 176.33 3i39 h ALA 537 N 1.57 0.77 -0.35 5.19 0.00 -0.44 0.88 119.26 126.87 3i39 h ALA 537 Ca -0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 3i39 h ALA 537 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3i39 h ALA 537 CO 0.06 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.84 3i39 h ALA 538 N 1.01 0.49 -0.25 0.00 0.00 -0.64 -0.07 119.26 119.80 3i39 h ALA 538 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3i39 h ALA 538 Cb 0.96 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3i39 h ALA 538 CO 0.09 0.37 -0.02 -0.07 0.00 0.00 0.00 179.25 179.62 3i39 h LEU 539 N 0.49 -0.14 -0.20 0.00 3.38 -0.92 -0.71 115.31 117.21 3i39 h LEU 539 Ca 0.08 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3i39 h LEU 539 Cb 0.64 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3i39 h LEU 539 CO 0.04 -0.04 -0.14 0.00 0.09 0.00 0.00 178.44 178.39 3i39 h ALA 540 N 1.23 0.01 -0.70 1.53 0.00 -0.55 -0.83 119.26 119.96 3i39 h ALA 540 Ca 0.12 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i39 h ALA 540 Cb 0.17 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3i39 h ALA 540 CO -0.22 -0.56 0.42 -0.91 0.00 0.00 0.00 179.25 177.98 3i39 h ASN 541 N -0.13 0.83 -0.09 0.00 -0.26 -0.82 0.13 115.58 115.23 3i39 h ASN 541 Ca 0.12 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3i39 h ASN 541 Cb 0.31 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3i39 h ASN 541 CO -0.28 0.64 -0.01 -0.09 -1.06 0.00 0.00 177.43 176.63 3i39 h ARG 542 N 0.95 0.28 0.00 0.81 9.65 -0.74 -2.82 114.38 122.50 3i39 h ARG 542 Ca 0.25 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3i39 h ARG 542 Cb -0.04 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 3i39 h ARG 542 CO -0.05 0.32 -0.73 1.28 2.80 0.00 0.00 179.97 183.59 3i39 n LEU 543 N -4.36 0.62 -2.37 3.80 4.77 -0.35 -4.97 117.00 114.14 3i39 n LEU 543 Ca -0.00 0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 3i39 n LEU 543 Cb 0.19 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3i39 n LEU 543 CO 0.37 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 3i39 n GLY 544 N 1.41 -0.27 3.29 -0.72 0.00 0.41 -5.03 105.19 104.28 3i39 n GLY 544 Ca 0.04 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3i39 n GLY 544 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i39 s VAL 545 N -3.02 0.56 0.39 1.61 -7.23 -0.92 -5.05 120.40 106.74 3i39 s VAL 545 Ca 0.21 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 3i39 s VAL 545 Cb -0.09 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 3i39 s VAL 545 CO 0.26 -0.12 0.59 -0.62 -0.31 0.00 0.00 175.10 174.90 3i39 s ASP 546 N -3.27 5.98 0.53 4.85 3.68 -1.26 -4.36 116.67 122.82 3i39 s ASP 546 Ca 0.35 0.20 0.22 0.00 2.13 0.00 0.00 52.55 55.45 3i39 s ASP 546 Cb 0.07 -1.59 1.45 0.00 -1.45 0.00 0.00 42.92 41.41 3i39 s ASP 546 CO 0.11 -0.53 2.15 -0.07 0.13 0.00 0.00 175.17 176.97 3i39 h LEU 547 N 0.62 0.00 -0.20 -1.34 4.07 -1.92 -1.55 115.31 114.99 3i39 h LEU 547 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3i39 h LEU 547 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3i39 h LEU 547 CO 0.57 0.05 0.00 -0.90 -1.08 0.00 0.00 178.44 177.09 3i39 n ASP 548 N -4.11 0.19 -0.02 -0.43 5.75 -1.26 -1.84 116.55 114.83 3i39 n ASP 548 Ca -0.03 -1.96 0.04 0.00 -0.01 0.00 0.00 54.79 52.83 3i39 n ASP 548 Cb 0.14 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 3i39 n ASP 548 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i39 n ARG 549 N -0.40 4.28 -2.82 0.11 1.74 -0.58 -5.00 116.66 113.98 3i39 n ARG 549 Ca 0.00 -0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 3i39 n ARG 549 Cb 0.05 -0.87 -0.06 0.00 -1.02 0.00 0.00 32.46 30.56 3i39 n ARG 549 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i39 s LEU 550 N -2.27 3.90 -1.35 0.55 1.43 -0.77 -4.76 118.68 115.42 3i39 s LEU 550 Ca 0.03 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 3i39 s LEU 550 Cb 0.06 -4.41 0.11 0.00 0.03 0.00 0.00 46.19 41.99 3i39 s LEU 550 CO 0.30 -0.37 2.02 -0.81 0.23 0.00 0.00 176.35 177.72 3i39 n PRO 551 N -0.78 3.30 -4.02 1.29 -0.04 -1.26 -4.84 135.00 128.65 3i39 n PRO 551 Ca 0.06 -3.15 -0.20 0.00 -0.04 0.00 0.00 63.50 60.17 3i39 n PRO 551 Cb 0.54 -3.08 -0.17 0.00 -0.04 0.00 0.00 33.50 30.75 3i39 n PRO 551 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i39 s VAL 552 N 1.56 0.43 0.33 0.52 1.01 -1.26 -1.00 120.40 122.00 3i39 s VAL 552 Ca 0.43 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.42 3i39 s VAL 552 Cb 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 3i39 s VAL 552 CO -0.03 0.22 0.08 0.68 0.00 0.00 0.00 175.10 176.05 3i39 s VAL 553 N 1.20 0.93 0.03 2.92 -7.23 -0.36 -4.29 120.40 113.59 3i39 s VAL 553 Ca -0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 3i39 s VAL 553 Cb -0.14 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 3i39 s VAL 553 CO -0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 174.71 3i39 s ALA 554 N -3.37 0.48 -0.16 1.32 0.00 -0.66 -1.38 121.76 117.99 3i39 s ALA 554 Ca 0.34 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3i39 s ALA 554 Cb 0.07 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.28 3i39 s ALA 554 CO 0.15 -0.03 0.02 0.45 0.00 0.00 0.00 175.76 176.36 3i39 s SER 555 N -1.36 2.59 -1.18 0.00 0.15 0.70 0.02 113.70 114.60 3i39 s SER 555 Ca -0.09 -0.64 -0.09 0.00 0.70 0.00 0.00 55.95 55.83 3i39 s SER 555 Cb -0.09 -0.57 0.22 0.00 -1.71 0.00 0.00 66.02 63.87 3i39 s SER 555 CO 0.00 -0.27 1.52 0.00 1.20 0.00 0.00 173.24 175.68 3i39 n ALA 556 N 5.07 4.69 0.32 5.45 0.00 0.67 -1.55 120.51 135.16 3i39 n ALA 556 Ca -0.09 -4.48 0.15 0.00 0.00 0.00 0.00 53.44 49.03 3i39 n ALA 556 Cb 0.48 -2.76 0.59 0.00 0.00 0.00 0.00 19.45 17.76 3i39 n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i39 h ALA 557 N 6.23 1.00 -0.27 0.00 0.00 -1.80 -2.27 119.26 122.15 3i39 h ALA 557 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 3i39 h ALA 557 Cb 0.74 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.16 3i39 h ALA 557 CO 1.34 0.00 -1.00 0.39 0.00 0.00 0.00 179.25 179.98 3i39 n GLU 558 N -2.85 1.21 -1.46 0.00 1.02 -1.25 -3.64 120.64 113.66 3i39 n GLU 558 Ca 0.01 -2.85 -0.36 0.00 -0.02 0.00 0.00 57.16 53.94 3i39 n GLU 558 Cb 0.31 -0.96 0.08 0.00 -0.02 0.00 0.00 31.44 30.85 3i39 n GLU 558 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i39 n ALA 559 N -0.39 0.13 0.12 0.62 0.00 -1.22 -2.64 120.51 117.14 3i39 n ALA 559 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i39 n ALA 559 Cb 0.89 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3i39 n ALA 559 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i39 n MET 560 N -1.81 0.00 -1.71 0.00 0.00 -1.26 -4.71 117.12 107.62 3i39 n MET 560 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.53 3i39 n MET 560 Cb 0.49 -0.07 0.03 0.00 0.00 0.00 0.00 33.22 33.68 3i39 n MET 560 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3i39 s HIS 561 N -2.00 3.21 0.35 1.12 2.46 -1.26 -4.92 115.29 114.24 3i39 s HIS 561 Ca 0.00 1.41 0.05 0.00 0.47 0.00 0.00 55.06 56.99 3i39 s HIS 561 Cb 0.00 -2.86 0.70 0.00 -0.13 0.00 0.00 32.58 30.29 3i39 s HIS 561 CO 0.00 -1.08 1.94 0.93 -2.47 0.00 0.00 174.74 174.06 3i39 h GLU 562 N -0.45 0.79 -0.83 2.88 5.08 -1.96 -0.07 114.58 120.03 3i39 h GLU 562 Ca -0.44 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 57.96 3i39 h GLU 562 Cb 1.21 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 3i39 h GLU 562 CO 0.58 0.52 0.48 0.87 -1.00 0.00 0.00 179.01 180.46 3i39 h LYS 563 N 0.82 0.79 -0.53 2.33 1.57 -1.84 -1.21 116.57 118.50 3i39 h LYS 563 Ca 0.34 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 3i39 h LYS 563 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3i39 h LYS 563 CO -0.12 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 3i39 h ALA 564 N 1.45 1.01 -0.71 3.86 0.00 -1.37 -1.21 119.26 122.28 3i39 h ALA 564 Ca 0.40 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i39 h ALA 564 Cb 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3i39 h ALA 564 CO -0.24 0.61 0.46 0.28 0.00 0.00 0.00 179.25 180.36 3i39 h VAL 565 N 0.83 1.14 -0.13 0.00 2.07 -1.04 -0.68 116.25 118.44 3i39 h VAL 565 Ca 0.16 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3i39 h VAL 565 Cb 0.49 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3i39 h VAL 565 CO 0.02 0.17 0.06 0.00 0.02 0.00 0.00 177.57 177.84 3i39 h ALA 566 N 1.28 0.17 -0.55 1.67 0.00 -1.01 -0.75 119.26 120.07 3i39 h ALA 566 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i39 h ALA 566 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i39 h ALA 566 CO -0.08 -0.26 0.35 0.82 0.00 0.00 0.00 179.25 180.07 3i39 h ILE 567 N 0.07 1.15 -0.92 0.00 2.04 -1.12 -0.43 117.51 118.31 3i39 h ILE 567 Ca 0.04 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3i39 h ILE 567 Cb 0.14 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3i39 h ILE 567 CO -0.00 0.15 0.57 1.23 0.00 0.00 0.00 178.15 180.10 3i39 h GLY 568 N 0.74 1.32 1.23 5.37 0.00 -0.87 0.40 103.07 111.26 3i39 h GLY 568 Ca 0.20 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 3i39 h GLY 568 CO -0.04 0.52 -0.36 -0.84 0.00 0.00 0.00 176.54 175.81 3i39 h THR 569 N 1.26 1.28 0.00 4.70 2.02 -0.56 -2.00 112.91 119.61 3i39 h THR 569 Ca 0.33 -1.53 -0.04 0.00 0.77 0.00 0.00 66.41 65.94 3i39 h THR 569 Cb -0.08 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3i39 h THR 569 CO -0.07 0.51 -0.20 4.11 0.37 0.00 0.00 175.52 180.24 3i39 h TRP 570 N 0.70 0.00 -0.85 3.16 5.08 -0.69 -0.91 115.95 122.45 3i39 h TRP 570 Ca 0.06 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.02 3i39 h TRP 570 Cb 0.93 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.05 3i39 h TRP 570 CO 0.05 0.20 0.47 0.00 -1.28 0.00 0.00 178.44 177.88 3i39 h ALA 571 N 1.80 1.08 -0.49 0.11 0.00 -0.63 -0.11 119.26 121.03 3i39 h ALA 571 Ca -0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3i39 h ALA 571 Cb 1.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3i39 h ALA 571 CO 0.03 0.59 -0.20 0.28 0.00 0.00 0.00 179.25 179.95 3i39 h VAL 572 N 1.18 1.27 -0.24 0.00 2.07 -1.06 -0.96 116.25 118.51 3i39 h VAL 572 Ca 0.30 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 3i39 h VAL 572 Cb 0.03 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3i39 h VAL 572 CO -0.05 0.47 -0.29 0.74 0.02 0.00 0.00 177.57 178.46 3i39 h THR 573 N 0.86 1.28 -0.00 2.57 2.02 -0.62 -2.14 112.91 116.87 3i39 h THR 573 Ca 0.11 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3i39 h THR 573 Cb 0.78 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3i39 h THR 573 CO 0.06 0.42 -0.07 2.30 0.37 0.00 0.00 175.52 178.61 3i39 n ILE 574 N -4.10 0.00 0.00 3.11 -5.35 -0.10 -4.83 119.36 108.09 3i39 n ILE 574 Ca -0.01 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3i39 n ILE 574 Cb 0.43 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 3i39 n ILE 574 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i39 n GLY 575 N 1.32 1.85 3.84 3.28 0.00 -0.81 -4.41 105.19 110.25 3i39 n GLY 575 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3i39 n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i39 s LEU 576 N 0.00 4.33 0.02 0.99 1.43 -0.38 -3.77 118.68 121.29 3i39 s LEU 576 Ca 0.00 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 3i39 s LEU 576 Cb 0.00 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 3i39 s LEU 576 CO 0.00 0.35 1.60 -2.84 0.23 0.00 0.00 176.35 175.69 3i39 s PRO 577 N -0.67 4.21 -0.20 1.29 0.02 -1.26 -2.53 135.00 135.85 3i39 s PRO 577 Ca 0.13 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 3i39 s PRO 577 Cb -0.12 -3.71 0.05 0.00 0.02 0.00 0.00 34.50 30.75 3i39 s PRO 577 CO 0.02 -0.73 -0.03 0.99 -0.33 0.00 0.00 177.00 176.92 3i39 s THR 578 N 3.00 1.15 0.15 0.99 2.01 -0.03 -1.65 115.64 121.26 3i39 s THR 578 Ca 0.72 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 3i39 s THR 578 Cb -0.36 -1.44 -0.08 0.00 0.01 0.00 0.00 72.50 70.63 3i39 s THR 578 CO 0.30 -0.05 0.80 -2.28 -0.69 0.00 0.00 174.62 172.70 3i39 s HIS 579 N 1.59 3.89 -0.08 4.92 2.46 0.10 -0.31 115.29 127.85 3i39 s HIS 579 Ca -0.03 1.65 0.03 0.00 0.47 0.00 0.00 55.06 57.18 3i39 s HIS 579 Cb -0.17 -2.81 0.01 0.00 -0.13 0.00 0.00 32.58 29.47 3i39 s HIS 579 CO -0.07 0.46 -0.15 -1.50 -2.47 0.00 0.00 174.74 171.00 3i39 s ILE 580 N -0.92 1.41 -1.70 0.89 2.07 -0.42 -0.24 121.20 122.29 3i39 s ILE 580 Ca 0.37 -0.63 0.19 0.00 -1.41 0.00 0.00 60.65 59.17 3i39 s ILE 580 Cb -0.23 -1.26 0.54 0.00 0.13 0.00 0.00 42.46 41.64 3i39 s ILE 580 CO 0.27 0.42 1.45 0.61 -1.91 0.00 0.00 174.94 175.77 3i39 n GLY 581 N 3.79 2.53 3.28 1.50 0.00 -0.86 -2.10 105.19 113.34 3i39 n GLY 581 Ca -0.21 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 3i39 n GLY 581 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i39 s VAL 582 N -1.02 1.54 -0.32 1.61 1.01 -1.26 -4.49 120.40 117.47 3i39 s VAL 582 Ca 0.41 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.26 3i39 s VAL 582 Cb 0.22 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.91 3i39 s VAL 582 CO 0.28 -0.40 1.17 -0.76 0.00 0.00 0.00 175.10 175.39 3i39 s LEU 583 N -2.62 3.90 0.57 3.92 1.43 -1.26 -4.87 118.68 119.74 3i39 s LEU 583 Ca 0.13 1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 54.13 3i39 s LEU 583 Cb -0.05 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 3i39 s LEU 583 CO 0.05 -0.98 1.07 -2.16 0.23 0.00 0.00 176.35 174.56 3i39 s PRO 584 N 3.90 3.37 -1.30 1.29 0.04 -1.26 -4.91 135.00 136.12 3i39 s PRO 584 Ca 0.50 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 3i39 s PRO 584 Cb -0.14 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3i39 s PRO 584 CO 0.19 -0.79 1.97 -2.30 0.04 0.00 0.00 177.00 176.12 3i39 n PRO 585 N -1.67 2.75 0.00 0.56 -0.02 -1.26 -4.11 135.00 131.24 3i39 n PRO 585 Ca 0.10 -2.79 0.00 0.00 -2.02 0.00 0.00 63.50 58.78 3i39 n PRO 585 Cb 0.52 -3.38 0.00 0.00 -0.02 0.00 0.00 33.50 30.62 3i39 n PRO 585 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3i39 n ILE 586 N 5.97 0.00 0.42 4.25 -5.35 -1.21 -3.68 119.36 119.76 3i39 n ILE 586 Ca 0.50 -0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.95 3i39 n ILE 586 Cb 0.43 0.92 0.46 0.00 -1.74 0.00 0.00 39.64 39.71 3i39 n ILE 586 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3i39 h THR 587 N 0.00 0.00 0.00 7.28 1.35 -1.68 -2.05 112.91 117.81 3i39 h THR 587 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3i39 h THR 587 Cb 0.00 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3i39 h THR 587 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3i39 n GLY 588 N 0.54 -0.93 2.81 5.82 0.00 0.13 -4.37 105.19 109.18 3i39 n GLY 588 Ca 0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3i39 n GLY 588 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i39 s SER 589 N -2.60 3.91 0.32 1.61 0.15 -0.77 -4.88 113.70 111.45 3i39 s SER 589 Ca 0.18 -1.49 0.03 0.00 0.70 0.00 0.00 55.95 55.37 3i39 s SER 589 Cb 0.13 -0.98 0.62 0.00 -1.71 0.00 0.00 66.02 64.09 3i39 s SER 589 CO 0.29 -0.36 1.92 0.25 1.20 0.00 0.00 173.24 176.54 3i39 h LEU 590 N 8.03 0.81 -0.97 3.45 5.85 -1.82 -1.26 115.31 129.40 3i39 h LEU 590 Ca -0.14 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 3i39 h LEU 590 Cb 1.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3i39 h LEU 590 CO 0.44 0.50 -0.17 -0.65 -0.34 0.00 0.00 178.44 178.23 3i39 h PRO 591 N 0.91 0.56 -0.22 5.25 0.11 -1.94 0.75 132.00 137.40 3i39 h PRO 591 Ca 0.38 -0.18 -0.20 0.00 0.11 0.00 0.00 66.00 66.11 3i39 h PRO 591 Cb 0.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3i39 h PRO 591 CO -0.15 0.70 -0.64 0.28 -0.21 0.00 0.00 178.00 177.99 3i39 h VAL 592 N 0.51 1.28 -0.58 3.15 2.07 -1.85 -1.68 116.25 119.16 3i39 h VAL 592 Ca 0.09 -1.84 0.06 0.00 0.82 0.00 0.00 66.70 65.83 3i39 h VAL 592 Cb 0.58 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3i39 h VAL 592 CO 0.04 0.59 0.28 0.74 0.02 0.00 0.00 177.57 179.24 3i39 h THR 593 N 0.59 0.91 -0.22 2.57 2.02 -0.68 -1.33 112.91 116.77 3i39 h THR 593 Ca -0.01 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3i39 h THR 593 Cb 1.25 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3i39 h THR 593 CO 0.13 0.10 -0.26 1.56 0.37 0.00 0.00 175.52 177.42 3i39 h GLN 594 N 0.53 0.42 0.20 6.66 1.08 -0.60 -0.77 115.11 122.64 3i39 h GLN 594 Ca 0.27 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3i39 h GLN 594 Cb 0.21 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3i39 h GLN 594 CO -0.20 0.66 -0.10 0.82 -0.95 0.00 0.00 178.83 179.06 3i39 h ILE 595 N 0.38 0.83 0.00 2.54 2.04 -0.73 -0.75 117.51 121.81 3i39 h ILE 595 Ca 0.06 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3i39 h ILE 595 Cb 0.66 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3i39 h ILE 595 CO 0.05 0.03 -0.38 -0.07 0.00 0.00 0.00 178.15 177.78 3i39 h LEU 596 N -0.33 0.00 -0.99 1.44 3.38 -0.95 -0.29 115.31 117.57 3i39 h LEU 596 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i39 h LEU 596 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i39 h LEU 596 CO 0.04 0.38 -0.19 0.35 0.09 0.00 0.00 178.44 179.11 3i39 n THR 597 N -3.54 0.00 0.00 0.22 -2.24 -0.32 -1.22 114.28 107.17 3i39 n THR 597 Ca -0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3i39 n THR 597 Cb 0.51 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 3i39 n THR 597 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3i39 n SER 598 N 0.05 0.00 0.28 3.42 2.88 -0.41 -4.62 113.62 115.22 3i39 n SER 598 Ca 0.06 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.75 3i39 n SER 598 Cb 0.28 0.21 0.83 0.00 -0.75 0.00 0.00 64.21 64.78 3i39 n SER 598 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3i39 h SER 599 N 0.00 0.00 0.67 -3.46 0.02 -1.12 -1.01 113.55 108.66 3i39 h SER 599 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i39 h SER 599 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3i39 h SER 599 CO 0.00 0.07 -0.01 1.62 -1.14 0.00 0.00 176.83 177.38 3i39 h VAL 600 N 0.00 0.02 -0.94 2.27 3.04 -1.29 0.12 116.25 119.48 3i39 h VAL 600 Ca -0.00 -0.35 0.10 0.00 -1.01 0.00 0.00 66.70 65.44 3i39 h VAL 600 Cb 0.26 1.34 -0.08 0.00 -2.01 0.00 0.00 31.29 30.80 3i39 h VAL 600 CO 0.01 0.01 0.58 0.11 -1.01 0.00 0.00 177.57 177.26 3i39 h LYS 601 N 0.00 0.92 0.00 4.17 1.57 -1.05 0.36 116.57 122.54 3i39 h LYS 601 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i39 h LYS 601 Cb 0.34 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3i39 h LYS 601 CO 0.00 0.61 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.05 3i39 h ASP 602 N 0.95 0.00 0.00 0.86 3.32 -1.14 -0.82 116.42 119.59 3i39 h ASP 602 Ca 0.45 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.24 3i39 h ASP 602 Cb 0.40 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 3i39 h ASP 602 CO -0.25 0.00 -1.56 -0.38 -1.72 0.00 0.00 179.24 175.34 3i39 n ILE 603 N -3.10 1.52 0.15 0.35 5.41 -0.02 -4.81 119.36 118.87 3i39 n ILE 603 Ca -0.00 -0.10 0.02 0.00 1.00 0.00 0.00 62.75 63.67 3i39 n ILE 603 Cb 0.24 -2.05 -0.03 0.00 -0.71 0.00 0.00 39.64 37.09 3i39 n ILE 603 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3i39 n THR 604 N -4.40 0.00 0.00 1.39 -2.24 -0.38 -4.93 114.28 103.72 3i39 n THR 604 Ca -0.35 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3i39 n THR 604 Cb 0.69 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3i39 n THR 604 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i39 n GLY 605 N 1.49 2.99 4.02 3.38 0.00 -0.31 -3.94 105.19 112.81 3i39 n GLY 605 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3i39 n GLY 605 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i39 s GLY 606 N -1.66 1.74 -0.29 -0.02 0.00 -1.22 -4.65 107.32 101.22 3i39 s GLY 606 Ca 0.00 -2.01 -0.31 0.00 0.00 0.00 0.00 44.72 42.40 3i39 s GLY 606 CO 0.00 -1.49 1.37 -2.52 0.00 0.00 0.00 173.10 170.46 3i39 s TYR 607 N -2.87 -0.03 0.40 1.90 -0.85 -1.05 -2.91 117.35 111.93 3i39 s TYR 607 Ca 0.64 0.04 -0.23 0.00 -0.52 0.00 0.00 57.07 57.00 3i39 s TYR 607 Cb -0.05 0.50 -0.10 0.00 0.38 0.00 0.00 41.96 42.69 3i39 s TYR 607 CO 0.41 -0.03 1.00 -0.06 -1.52 0.00 0.00 175.55 175.35 3i39 s PHE 608 N -1.29 3.36 -0.29 -3.49 0.08 -0.36 -0.85 117.98 115.14 3i39 s PHE 608 Ca 0.10 1.66 0.02 0.00 0.12 0.00 0.00 56.93 58.83 3i39 s PHE 608 Cb -0.01 -3.00 0.07 0.00 -0.57 0.00 0.00 43.02 39.52 3i39 s PHE 608 CO -0.07 -0.30 -0.04 0.42 -0.10 0.00 0.00 175.22 175.13 3i39 s ILE 609 N -1.82 2.35 -0.42 0.64 1.01 0.57 -4.38 121.20 119.16 3i39 s ILE 609 Ca 0.58 -1.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.23 3i39 s ILE 609 Cb -0.17 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.83 3i39 s ILE 609 CO 0.22 -0.23 0.46 -0.69 0.00 0.00 0.00 174.94 174.70 3i39 s VAL 610 N 1.07 5.06 -0.23 2.92 1.01 -1.26 -1.31 120.40 127.65 3i39 s VAL 610 Ca -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3i39 s VAL 610 Cb -0.20 -4.06 0.12 0.00 0.00 0.00 0.00 36.38 32.24 3i39 s VAL 610 CO -0.05 -0.45 0.34 -0.70 0.00 0.00 0.00 175.10 174.24 3i39 s GLU 611 N 2.22 0.31 0.41 2.72 2.56 -0.89 -4.99 118.70 121.03 3i39 s GLU 611 Ca 0.13 0.43 0.22 0.00 0.00 0.00 0.00 54.97 55.75 3i39 s GLU 611 Cb -0.17 -0.68 0.29 0.00 2.00 0.00 0.00 34.13 35.58 3i39 s GLU 611 CO 0.14 -0.66 1.57 -0.07 -0.56 0.00 0.00 175.26 175.69 3i39 h LEU 612 N 8.22 0.00 -8.92 2.70 4.07 -1.82 -3.38 115.31 116.17 3i39 h LEU 612 Ca -0.19 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.18 3i39 h LEU 612 Cb 1.15 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.80 3i39 h LEU 612 CO 0.28 0.07 0.48 -0.62 -1.08 0.00 0.00 178.44 177.56 3i39 s ASP 613 N -6.22 6.71 0.29 -0.43 2.15 -1.26 -4.96 116.67 112.95 3i39 s ASP 613 Ca 0.06 0.74 0.07 0.00 0.43 0.00 0.00 52.55 53.85 3i39 s ASP 613 Cb 0.05 -2.43 0.44 0.00 -0.30 0.00 0.00 42.92 40.69 3i39 s ASP 613 CO 0.68 -0.66 1.69 1.55 -0.17 0.00 0.00 175.17 178.26 3i39 h PRO 614 N 8.10 0.21 -0.47 4.34 0.13 -1.94 0.41 132.00 142.79 3i39 h PRO 614 Ca -0.24 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3i39 h PRO 614 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3i39 h PRO 614 CO 0.91 0.62 0.17 0.93 -0.23 0.00 0.00 178.00 180.40 3i39 h GLU 615 N 0.17 0.71 -0.76 0.86 4.39 -1.92 -0.88 114.58 117.15 3i39 h GLU 615 Ca 0.01 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3i39 h GLU 615 Cb 0.86 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 3i39 h GLU 615 CO 0.07 0.65 0.42 1.15 -1.16 0.00 0.00 179.01 180.14 3i39 h THR 616 N 0.62 1.22 -0.72 1.13 2.02 -1.87 -2.45 112.91 112.86 3i39 h THR 616 Ca 0.15 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 3i39 h THR 616 Cb 0.22 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 3i39 h THR 616 CO -0.01 0.25 0.22 0.00 0.37 0.00 0.00 175.52 176.34 3i39 h ALA 617 N 1.41 1.02 -0.68 6.16 0.00 -0.56 -1.08 119.26 125.52 3i39 h ALA 617 Ca 0.27 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3i39 h ALA 617 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3i39 h ALA 617 CO -0.04 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.97 3i39 h ALA 618 N 1.15 0.90 -0.59 0.00 0.00 -0.94 0.53 119.26 120.32 3i39 h ALA 618 Ca 0.23 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3i39 h ALA 618 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i39 h ALA 618 CO -0.01 0.67 -0.04 -0.44 0.00 0.00 0.00 179.25 179.44 3i39 h ASP 619 N 1.05 1.04 -0.19 0.00 3.45 -0.97 0.51 116.42 121.32 3i39 h ASP 619 Ca 0.21 -0.31 -0.10 0.00 0.43 0.00 0.00 57.03 57.26 3i39 h ASP 619 Cb 0.44 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 3i39 h ASP 619 CO 0.01 1.11 -0.19 0.11 -1.57 0.00 0.00 179.24 178.72 3i39 h LYS 620 N 0.96 0.62 -0.22 3.56 1.57 -0.64 0.14 116.57 122.56 3i39 h LYS 620 Ca 0.16 -0.22 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 3i39 h LYS 620 Cb 0.60 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3i39 h LYS 620 CO 0.04 0.77 -0.61 -0.07 -0.57 0.00 0.00 179.45 179.01 3i39 h LEU 621 N 0.55 0.85 -0.64 2.94 3.38 -0.53 -1.05 115.31 120.81 3i39 h LEU 621 Ca 0.09 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 3i39 h LEU 621 Cb 0.63 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3i39 h LEU 621 CO 0.04 1.26 0.16 -0.07 0.09 0.00 0.00 178.44 179.92 3i39 h LEU 622 N 0.56 0.97 -0.91 1.67 3.38 -0.77 -0.38 115.31 119.83 3i39 h LEU 622 Ca -0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3i39 h LEU 622 Cb 1.20 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 3i39 h LEU 622 CO 0.13 0.95 0.60 0.00 0.09 0.00 0.00 178.44 180.20 3i39 h ALA 623 N 1.06 1.17 0.01 1.53 0.00 -0.74 0.23 119.26 122.53 3i39 h ALA 623 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i39 h ALA 623 Cb 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i39 h ALA 623 CO 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 3i39 h ALA 624 N 1.35 -0.02 -0.52 0.00 0.00 -0.79 0.90 119.26 120.18 3i39 h ALA 624 Ca 0.34 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3i39 h ALA 624 Cb -0.08 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3i39 h ALA 624 CO -0.09 -0.44 0.17 0.82 0.00 0.00 0.00 179.25 179.71 3i39 h ILE 625 N -0.17 0.80 0.00 0.00 2.04 -0.84 -2.07 117.51 117.27 3i39 h ILE 625 Ca -0.00 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3i39 h ILE 625 Cb 0.16 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3i39 h ILE 625 CO 0.00 0.06 -0.48 0.78 0.00 0.00 0.00 178.15 178.51 3i39 h ASN 626 N 0.34 0.00 -0.18 1.72 2.35 -0.64 -0.33 115.58 118.84 3i39 h ASN 626 Ca 0.25 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3i39 h ASN 626 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3i39 h ASN 626 CO -0.27 0.48 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.41 3i39 h GLU 627 N 0.00 0.65 -0.26 0.81 5.08 -0.62 0.49 114.58 120.72 3i39 h GLU 627 Ca -0.00 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 3i39 h GLU 627 Cb 0.88 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3i39 h GLU 627 CO 0.06 0.85 -0.03 0.00 -1.00 0.00 0.00 179.01 178.89 3i39 h ARG 628 N 0.57 0.49 -0.53 2.33 2.47 -0.75 -1.53 114.38 117.43 3i39 h ARG 628 Ca 0.08 -0.17 0.10 0.00 -1.26 0.00 0.00 59.98 58.73 3i39 h ARG 628 Cb 0.74 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.94 3i39 h ARG 628 CO 0.06 0.68 0.02 0.00 0.56 0.00 0.00 179.97 181.29 3i39 h ARG 629 N 0.25 0.14 -0.88 0.04 3.08 -0.68 -2.32 114.38 114.00 3i39 h ARG 629 Ca 0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3i39 h ARG 629 Cb 0.48 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 3i39 h ARG 629 CO 0.02 0.09 0.58 0.00 -1.07 0.00 0.00 179.97 179.59 3i39 h ALA 630 N 1.46 1.36 0.00 0.04 0.00 -0.64 -0.76 119.26 120.72 3i39 h ALA 630 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i39 h ALA 630 Cb 0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i39 h ALA 630 CO -0.43 0.59 -0.04 0.78 0.00 0.00 0.00 179.25 180.16 3i39 h GLY 631 N 1.20 0.00 -0.88 0.00 0.00 -0.77 0.09 103.07 102.72 3i39 h GLY 631 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3i39 h GLY 631 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 3i39 n LEU 632 N -4.37 1.80 -0.43 3.11 4.77 -0.71 -4.95 117.00 116.23 3i39 n LEU 632 Ca -0.03 -0.71 -0.05 0.00 -0.03 0.00 0.00 56.01 55.19 3i39 n LEU 632 Cb 0.12 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3i39 n LEU 632 CO 0.33 0.36 -0.05 0.61 -1.33 0.00 0.00 177.39 177.31 3i39 n GLY 633 N 1.18 0.55 3.91 -0.72 0.00 0.02 -5.04 105.19 105.09 3i39 n GLY 633 Ca 0.17 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3i39 n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i39 s LEU 634 N -1.18 4.36 0.94 0.99 1.43 -0.37 -5.00 118.68 119.85 3i39 s LEU 634 Ca 0.00 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3i39 s LEU 634 Cb 0.00 -2.76 0.12 0.00 0.03 0.00 0.00 46.19 43.59 3i39 s LEU 634 CO 0.00 0.22 0.91 -2.65 0.23 0.00 0.00 176.35 175.07 3i39 n PRO 635 N 0.72 -0.50 0.00 1.29 -0.02 -1.26 -4.01 135.00 131.21 3i39 n PRO 635 Ca -0.09 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3i39 n PRO 635 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3i39 n PRO 635 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81