#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i01 h ASP 3 N 0.00 0.40 -0.95 3.42 5.19 -2.03 -2.76 116.42 119.69 3i01 h ASP 3 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i01 h ASP 3 Cb 0.00 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.37 3i01 h ASP 3 CO 0.00 0.27 0.60 0.15 -3.12 0.00 0.00 179.24 177.14 3i01 h PHE 4 N 0.47 1.23 0.00 4.55 3.57 -2.03 -2.30 116.94 122.42 3i01 h PHE 4 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3i01 h PHE 4 Cb 0.23 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3i01 h PHE 4 CO -0.00 0.80 0.01 -0.44 -2.23 0.00 0.00 178.31 176.45 3i01 h ASP 5 N 1.31 0.00 -1.06 0.41 3.32 -1.93 -2.12 116.42 116.35 3i01 h ASP 5 Ca 0.35 0.00 0.30 0.00 0.02 0.00 0.00 57.03 57.69 3i01 h ASP 5 Cb -0.10 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 3i01 h ASP 5 CO -0.07 0.00 0.74 0.50 -1.72 0.00 0.00 179.24 178.69 3i01 h LYS 6 N 0.00 0.11 0.00 3.56 3.11 -1.54 -1.72 116.57 120.09 3i01 h LYS 6 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3i01 h LYS 6 Cb 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 3i01 h LYS 6 CO 0.00 0.07 0.00 -0.84 -2.81 0.00 0.00 179.45 175.87 3i01 h ILE 7 N 0.12 0.00 -0.00 2.00 3.07 -1.61 -2.67 117.51 118.42 3i01 h ILE 7 Ca 0.53 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.64 3i01 h ILE 7 Cb 1.88 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 39.56 3i01 h ILE 7 CO -0.09 0.00 -0.73 0.49 -1.05 0.00 0.00 178.15 176.78 3i01 n PHE 8 N -2.62 0.00 -1.99 0.16 3.01 -0.65 -4.91 117.46 110.46 3i01 n PHE 8 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 3i01 n PHE 8 Cb 0.23 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 3i01 n PHE 8 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i01 s GLU 9 N -2.93 4.19 -1.18 -1.08 2.02 -1.01 -2.06 118.70 116.65 3i01 s GLU 9 Ca 0.11 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.32 3i01 s GLU 9 Cb 0.17 -3.85 0.00 0.00 0.10 0.00 0.00 34.13 30.54 3i01 s GLU 9 CO 0.76 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 175.66 3i01 n GLY 10 N 4.07 1.23 0.27 -1.39 0.00 -1.26 -4.88 105.19 103.23 3i01 n GLY 10 Ca 0.17 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 3i01 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 h ALA 11 N 0.00 0.90 -2.49 4.61 0.00 -1.74 -3.42 119.26 117.13 3i01 h ALA 11 Ca -0.23 -0.36 -0.62 0.00 0.00 0.00 0.00 54.91 53.70 3i01 h ALA 11 Cb 0.76 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 3i01 h ALA 11 CO 0.33 0.63 0.04 0.42 0.00 0.00 0.00 179.25 180.67 3i01 s ILE 12 N -4.66 5.01 0.62 0.00 1.01 -1.26 -4.27 121.20 117.64 3i01 s ILE 12 Ca -0.09 0.75 -0.17 0.00 0.00 0.00 0.00 60.65 61.14 3i01 s ILE 12 Cb 0.13 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3i01 s ILE 12 CO 0.83 -0.07 1.13 -2.84 0.00 0.00 0.00 174.94 174.00 3i01 s PRO 13 N 2.44 2.96 0.02 2.79 0.02 -1.26 -4.91 135.00 137.07 3i01 s PRO 13 Ca 0.22 1.54 -0.38 0.00 0.02 0.00 0.00 61.00 62.40 3i01 s PRO 13 Cb -0.15 -1.96 -0.17 0.00 0.02 0.00 0.00 34.50 32.24 3i01 s PRO 13 CO 0.11 -1.15 1.37 0.39 -0.33 0.00 0.00 177.00 177.40 3i01 n GLU 14 N -1.97 1.03 -1.59 5.54 -0.58 -1.26 -0.54 120.64 121.27 3i01 n GLU 14 Ca 0.11 0.37 -0.17 0.00 -0.42 0.00 0.00 57.16 57.06 3i01 n GLU 14 Cb 0.51 -2.00 -0.07 0.00 -0.57 0.00 0.00 31.44 29.31 3i01 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i01 n GLY 15 N 2.67 1.38 1.62 0.62 0.00 -1.26 -4.86 105.19 105.36 3i01 n GLY 15 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 3i01 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i01 n LYS 16 N -2.20 3.05 -2.24 1.61 4.76 0.30 -5.05 118.16 118.40 3i01 n LYS 16 Ca -0.17 -3.06 -0.42 0.00 -2.87 0.00 0.00 58.31 51.79 3i01 n LYS 16 Cb 0.56 -2.06 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 3i01 n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i01 s GLU 17 N -3.04 4.37 -1.39 1.97 2.02 -1.26 -4.80 118.70 116.56 3i01 s GLU 17 Ca 0.51 2.00 -0.15 0.00 0.02 0.00 0.00 54.97 57.34 3i01 s GLU 17 Cb 0.42 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 31.43 3i01 s GLU 17 CO 0.10 -0.34 2.13 -0.35 0.02 0.00 0.00 175.26 176.82 3i01 n PRO 18 N 3.53 2.81 -0.22 0.39 -0.04 -1.26 -4.82 135.00 135.38 3i01 n PRO 18 Ca 0.09 -2.66 -0.08 0.00 -0.04 0.00 0.00 63.50 60.81 3i01 n PRO 18 Cb 0.43 -3.30 0.03 0.00 -0.04 0.00 0.00 33.50 30.62 3i01 n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i01 h VAL 19 N 4.30 1.26 -0.26 0.52 2.07 -1.91 -1.80 116.25 120.43 3i01 h VAL 19 Ca 0.54 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3i01 h VAL 19 Cb 0.68 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3i01 h VAL 19 CO 1.82 0.37 0.18 0.00 0.02 0.00 0.00 177.57 179.96 3i01 h ALA 20 N 1.03 2.01 -0.12 1.67 0.00 -1.88 0.64 119.26 122.61 3i01 h ALA 20 Ca 0.19 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 3i01 h ALA 20 Cb 0.42 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i01 h ALA 20 CO 0.01 -0.05 -0.84 1.25 0.00 0.00 0.00 179.25 179.62 3i01 h LEU 21 N 0.19 0.94 -0.78 0.00 5.85 -1.40 -2.41 115.31 117.70 3i01 h LEU 21 Ca 0.11 -0.65 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 3i01 h LEU 21 Cb 0.21 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3i01 h LEU 21 CO -0.02 1.45 -0.02 -0.26 -0.34 0.00 0.00 178.44 179.24 3i01 h PHE 22 N 0.51 0.97 -0.20 1.25 0.04 -0.78 -2.24 116.94 116.49 3i01 h PHE 22 Ca -0.07 -0.16 -0.16 0.00 2.80 0.00 0.00 57.97 60.38 3i01 h PHE 22 Cb 1.48 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3i01 h PHE 22 CO 0.09 0.89 -0.51 -0.09 -0.60 0.00 0.00 178.31 178.09 3i01 h ARG 23 N 0.82 0.70 -0.13 1.51 2.43 -0.97 -0.83 114.38 117.92 3i01 h ARG 23 Ca 0.15 -0.49 0.05 0.00 -0.81 0.00 0.00 59.98 58.88 3i01 h ARG 23 Cb 0.52 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 3i01 h ARG 23 CO 0.03 1.11 -0.34 1.49 -1.51 0.00 0.00 179.97 180.75 3i01 h GLU 24 N 0.41 -0.40 -0.28 0.20 4.81 -1.31 0.66 114.58 118.67 3i01 h GLU 24 Ca -0.01 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3i01 h GLU 24 Cb 1.13 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 3i01 h GLU 24 CO 0.11 -0.27 -0.15 0.28 -0.73 0.00 0.00 179.01 178.26 3i01 h VAL 25 N -0.42 0.55 -0.53 0.32 2.07 -1.33 0.63 116.25 117.54 3i01 h VAL 25 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 3i01 h VAL 25 Cb 0.56 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 3i01 h VAL 25 CO -0.36 0.00 -0.03 0.22 0.02 0.00 0.00 177.57 177.42 3i01 h TYR 26 N -0.11 -0.10 -0.73 1.57 -0.00 -0.94 0.17 116.97 116.83 3i01 h TYR 26 Ca 0.15 0.04 -0.05 0.00 -0.00 0.00 0.00 58.73 58.87 3i01 h TYR 26 Cb 0.34 0.13 -0.03 0.00 -0.00 0.00 0.00 36.73 37.16 3i01 h TYR 26 CO -0.34 -0.16 0.26 0.45 -0.00 0.00 0.00 178.16 178.38 3i01 h HIS 27 N 0.08 1.15 -0.31 -3.82 3.86 -0.27 -1.46 115.15 114.38 3i01 h HIS 27 Ca 0.27 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3i01 h HIS 27 Cb 0.42 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3i01 h HIS 27 CO -0.36 0.89 -0.17 0.78 0.86 0.00 0.00 177.93 179.94 3i01 h GLY 28 N 1.07 0.60 1.34 2.45 0.00 -0.28 -1.91 103.07 106.33 3i01 h GLY 28 Ca 0.24 -0.45 -0.27 0.00 0.00 0.00 0.00 47.33 46.85 3i01 h GLY 28 CO -0.01 0.41 -1.09 0.00 0.00 0.00 0.00 176.54 175.85 3i01 h ALA 29 N 1.32 0.15 -0.72 3.60 0.00 -0.51 0.16 119.26 123.26 3i01 h ALA 29 Ca 0.08 -0.74 0.02 0.00 0.00 0.00 0.00 54.91 54.28 3i01 h ALA 29 Cb 0.58 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3i01 h ALA 29 CO 0.04 0.74 0.46 0.82 0.00 0.00 0.00 179.25 181.31 3i01 h ILE 30 N 0.29 1.13 -0.11 0.00 2.04 -1.26 -2.17 117.51 117.43 3i01 h ILE 30 Ca -0.13 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3i01 h ILE 30 Cb 1.75 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3i01 h ILE 30 CO 0.20 0.17 0.02 0.74 0.00 0.00 0.00 178.15 179.28 3i01 h THR 31 N 0.91 1.22 -0.32 -0.27 2.02 -1.13 -0.55 112.91 114.79 3i01 h THR 31 Ca 0.28 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3i01 h THR 31 Cb -0.02 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3i01 h THR 31 CO -0.09 0.20 0.10 0.00 0.37 0.00 0.00 175.52 176.09 3i01 h ALA 32 N 0.79 0.42 0.03 6.16 0.00 -0.62 -2.16 119.26 123.88 3i01 h ALA 32 Ca 0.03 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 3i01 h ALA 32 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i01 h ALA 32 CO 0.00 0.07 -0.96 1.79 0.00 0.00 0.00 179.25 180.15 3i01 h THR 33 N 0.37 1.49 -0.12 0.00 1.35 -1.38 -1.58 112.91 113.04 3i01 h THR 33 Ca 0.10 -2.73 -0.19 0.00 -0.55 0.00 0.00 66.41 63.05 3i01 h THR 33 Cb 0.26 2.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3i01 h THR 33 CO -0.00 0.80 -0.71 0.28 -0.25 0.00 0.00 175.52 175.63 3i01 h SER 34 N 0.12 0.65 0.38 5.36 0.02 -1.06 -1.57 113.55 117.45 3i01 h SER 34 Ca -0.06 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 3i01 h SER 34 Cb 1.62 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.97 3i01 h SER 34 CO 0.15 1.16 -0.18 0.22 -1.14 0.00 0.00 176.83 177.04 3i01 h TYR 35 N 0.39 -0.47 -0.77 3.45 3.20 -1.39 -2.26 116.97 119.10 3i01 h TYR 35 Ca -0.03 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.00 3i01 h TYR 35 Cb 1.30 0.16 -0.11 0.00 1.54 0.00 0.00 36.73 39.61 3i01 h TYR 35 CO 0.06 -0.25 0.25 0.00 -1.64 0.00 0.00 178.16 176.58 3i01 h ALA 36 N 0.01 1.07 0.04 1.82 0.00 -1.29 -1.90 119.26 119.01 3i01 h ALA 36 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i01 h ALA 36 Cb 0.44 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3i01 h ALA 36 CO 0.09 -0.31 -0.05 1.49 0.00 0.00 0.00 179.25 180.47 3i01 h GLU 37 N 0.34 -0.10 -0.65 0.00 4.22 -1.11 0.18 114.58 117.46 3i01 h GLU 37 Ca 0.44 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.92 3i01 h GLU 37 Cb 0.76 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 3i01 h GLU 37 CO -0.49 -0.06 0.41 0.82 -2.18 0.00 0.00 179.01 177.50 3i01 h ILE 38 N -0.10 1.10 -0.44 2.32 2.04 -1.00 0.28 117.51 121.70 3i01 h ILE 38 Ca 0.01 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 3i01 h ILE 38 Cb 0.11 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3i01 h ILE 38 CO -0.02 0.15 -0.07 -0.07 0.00 0.00 0.00 178.15 178.13 3i01 h LEU 39 N 0.80 0.83 -0.05 1.44 4.07 -1.24 -1.21 115.31 119.96 3i01 h LEU 39 Ca 0.26 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 3i01 h LEU 39 Cb 0.00 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 3i01 h LEU 39 CO -0.10 0.98 -0.01 0.25 -1.08 0.00 0.00 178.44 178.49 3i01 h LEU 40 N 0.67 0.09 -0.51 1.67 5.85 -0.13 -1.55 115.31 121.39 3i01 h LEU 40 Ca 0.12 -0.34 -0.16 0.00 0.84 0.00 0.00 57.88 58.34 3i01 h LEU 40 Cb 0.60 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3i01 h LEU 40 CO 0.04 0.41 -0.49 0.78 -0.34 0.00 0.00 178.44 178.84 3i01 h ASN 41 N -0.24 0.72 -0.17 1.25 2.35 -0.96 -1.35 115.58 117.17 3i01 h ASN 41 Ca 0.01 -0.36 0.05 0.00 -0.55 0.00 0.00 56.30 55.46 3i01 h ASN 41 Cb 0.37 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 3i01 h ASN 41 CO 0.00 1.08 -0.25 -0.61 -1.65 0.00 0.00 177.43 176.01 3i01 h GLN 42 N 0.52 -0.28 -0.99 0.81 5.75 -1.27 -0.22 115.11 119.43 3i01 h GLN 42 Ca 0.03 0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.71 3i01 h GLN 42 Cb 1.03 0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.55 3i01 h GLN 42 CO 0.10 -0.19 0.62 0.00 -2.65 0.00 0.00 178.83 176.71 3i01 h ALA 43 N 0.68 1.66 -0.17 3.38 0.00 -0.92 -0.66 119.26 123.22 3i01 h ALA 43 Ca 0.11 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3i01 h ALA 43 Cb 0.47 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i01 h ALA 43 CO -0.34 0.02 -0.73 0.82 0.00 0.00 0.00 179.25 179.02 3i01 h ILE 44 N 0.82 1.29 -0.65 0.00 2.04 -1.10 -0.33 117.51 119.58 3i01 h ILE 44 Ca 0.54 -1.94 0.03 0.00 1.00 0.00 0.00 64.86 64.49 3i01 h ILE 44 Cb 0.76 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 3i01 h ILE 44 CO -0.32 0.62 0.43 0.03 0.00 0.00 0.00 178.15 178.91 3i01 h ARG 45 N 0.53 0.75 0.12 2.37 3.08 -0.43 -0.03 114.38 120.78 3i01 h ARG 45 Ca -0.04 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 3i01 h ARG 45 Cb 1.34 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 31.24 3i01 h ARG 45 CO 0.15 0.50 -0.80 1.15 -1.07 0.00 0.00 179.97 179.90 3i01 h THR 46 N 0.77 1.48 0.00 2.04 2.02 -0.95 -3.40 112.91 114.88 3i01 h THR 46 Ca 0.26 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.94 3i01 h THR 46 Cb 0.07 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3i01 h THR 46 CO -0.07 0.70 -1.25 -1.22 0.37 0.00 0.00 175.52 174.05 3i01 n TYR 47 N -4.16 0.00 0.00 3.16 4.01 -0.15 -5.10 117.16 114.92 3i01 n TYR 47 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3i01 n TYR 47 Cb 0.79 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 3i01 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i01 n GLY 48 N 1.67 1.10 0.33 2.72 0.00 -0.03 -4.40 105.19 106.59 3i01 n GLY 48 Ca -0.01 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.60 3i01 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i01 h PRO 49 N 0.00 0.00 -0.01 1.61 0.13 -1.93 -2.86 132.00 128.95 3i01 h PRO 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i01 h PRO 49 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i01 h PRO 49 CO 0.00 0.00 -0.53 -0.25 -0.23 0.00 0.00 178.00 176.99 3i01 n ASP 50 N -3.38 1.38 -4.76 1.44 8.00 -1.26 0.13 116.55 118.10 3i01 n ASP 50 Ca -0.02 -1.10 -0.41 0.00 0.71 0.00 0.00 54.79 53.97 3i01 n ASP 50 Cb 0.16 0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 41.70 3i01 n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i01 s HIS 51 N -2.65 2.90 0.68 1.24 2.46 -1.08 -4.79 115.29 114.05 3i01 s HIS 51 Ca 0.17 1.08 -0.12 0.00 0.47 0.00 0.00 55.06 56.66 3i01 s HIS 51 Cb 0.18 -3.87 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 3i01 s HIS 51 CO 0.63 -2.74 1.06 -2.14 -2.47 0.00 0.00 174.74 169.09 3i01 s PRO 52 N -0.95 2.96 -0.13 2.88 0.02 -1.26 -0.18 135.00 138.34 3i01 s PRO 52 Ca 0.57 1.03 -0.14 0.00 0.02 0.00 0.00 61.00 62.48 3i01 s PRO 52 Cb -0.43 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.13 3i01 s PRO 52 CO 0.49 -1.08 0.38 0.54 -0.33 0.00 0.00 177.00 177.00 3i01 s VAL 53 N -2.90 0.01 -4.22 3.83 0.11 -0.66 -4.63 120.40 111.94 3i01 s VAL 53 Ca 0.60 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 3i01 s VAL 53 Cb -0.15 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 3i01 s VAL 53 CO 0.51 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 3i01 n GLY 54 N 2.61 -2.51 3.69 6.54 0.00 -1.26 -4.43 105.19 109.83 3i01 n GLY 54 Ca -0.14 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 3i01 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i01 s TYR 55 N -2.12 2.87 0.55 1.61 4.12 -1.26 -4.77 117.35 118.35 3i01 s TYR 55 Ca 0.00 -0.14 -0.19 0.00 0.02 0.00 0.00 57.07 56.76 3i01 s TYR 55 Cb 0.00 -1.35 -0.05 0.00 -1.52 0.00 0.00 41.96 39.04 3i01 s TYR 55 CO 0.00 0.54 1.12 -1.25 0.02 0.00 0.00 175.55 175.98 3i01 s PRO 56 N -3.23 3.31 -1.39 -1.71 0.04 -1.26 -4.33 135.00 126.43 3i01 s PRO 56 Ca 0.29 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 3i01 s PRO 56 Cb -0.09 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3i01 s PRO 56 CO 0.20 -0.87 1.11 -0.25 0.04 0.00 0.00 177.00 177.22 3i01 n ASP 57 N -1.42 -5.50 -3.94 6.66 8.00 -1.26 -4.69 116.55 114.39 3i01 n ASP 57 Ca 0.11 -0.62 -0.12 0.00 0.71 0.00 0.00 54.79 54.88 3i01 n ASP 57 Cb 0.51 -4.71 -0.13 0.00 -0.02 0.00 0.00 41.12 36.77 3i01 n ASP 57 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3i01 s THR 58 N -3.33 0.19 -2.57 -3.53 -1.32 -1.26 -0.56 115.64 103.26 3i01 s THR 58 Ca 0.55 -0.45 0.25 0.00 -1.21 0.00 0.00 61.69 60.83 3i01 s THR 58 Cb -0.25 -0.23 0.30 0.00 -1.51 0.00 0.00 72.50 70.80 3i01 s THR 58 CO 0.76 -0.17 1.44 0.00 -2.21 0.00 0.00 174.62 174.43 3i01 n ALA 59 N 2.41 2.71 -1.15 11.08 0.00 -1.26 -4.65 120.51 129.65 3i01 n ALA 59 Ca -0.17 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.62 3i01 n ALA 59 Cb 0.57 -0.96 0.26 0.00 0.00 0.00 0.00 19.45 19.32 3i01 n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i01 n TYR 60 N 0.55 2.18 0.00 0.00 4.02 -1.26 -5.02 117.16 117.63 3i01 n TYR 60 Ca 0.15 -1.37 0.00 0.00 -0.01 0.00 0.00 57.90 56.67 3i01 n TYR 60 Cb 0.47 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 3i01 n TYR 60 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3i01 n TYR 61 N -0.57 0.00 -3.27 -0.72 4.02 -1.26 -2.74 117.16 112.62 3i01 n TYR 61 Ca 0.41 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.85 3i01 n TYR 61 Cb 1.34 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.61 3i01 n TYR 61 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i01 s LEU 62 N 0.00 6.02 0.45 7.72 1.43 -1.26 -4.46 118.68 128.58 3i01 s LEU 62 Ca 0.00 -1.71 0.21 0.00 -1.03 0.00 0.00 54.13 51.60 3i01 s LEU 62 Cb 0.00 -2.23 1.10 0.00 0.03 0.00 0.00 46.19 45.09 3i01 s LEU 62 CO 0.00 -0.91 1.95 -0.65 0.23 0.00 0.00 176.35 176.97 3i01 h PRO 63 N 8.95 0.00 -0.31 1.29 0.11 -1.85 0.83 132.00 141.01 3i01 h PRO 63 Ca -0.30 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 3i01 h PRO 63 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3i01 h PRO 63 CO 1.05 0.22 -0.09 -0.39 -0.21 0.00 0.00 178.00 178.59 3i01 h VAL 64 N 0.00 1.22 0.03 3.15 -1.51 -1.86 0.24 116.25 117.51 3i01 h VAL 64 Ca -0.00 -0.95 -0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3i01 h VAL 64 Cb 0.50 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3i01 h VAL 64 CO 0.03 0.32 -0.02 0.40 -1.23 0.00 0.00 177.57 177.07 3i01 h ILE 65 N 0.48 1.40 -0.85 7.19 2.04 -1.55 -1.57 117.51 124.65 3i01 h ILE 65 Ca 0.09 -1.54 0.16 0.00 1.00 0.00 0.00 64.86 64.56 3i01 h ILE 65 Cb 0.45 2.40 -0.10 0.00 -0.74 0.00 0.00 36.82 38.83 3i01 h ILE 65 CO 0.02 0.38 0.42 -0.09 0.00 0.00 0.00 178.15 178.89 3i01 h ARG 66 N -0.74 0.56 0.77 2.37 9.65 -0.81 0.16 114.38 126.35 3i01 h ARG 66 Ca -0.00 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 3i01 h ARG 66 Cb 0.66 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 29.12 3i01 h ARG 66 CO 0.01 0.37 -0.37 0.00 2.80 0.00 0.00 179.97 182.78 3i01 h PHE 68 N -1.17 0.00 0.00 0.00 0.04 -1.18 0.02 116.94 114.65 3i01 h PHE 68 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 3i01 h PHE 68 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 3i01 h PHE 68 CO 0.02 0.70 -0.25 -1.13 -0.60 0.00 0.00 178.31 177.05 3i01 n SER 69 N -3.18 1.24 0.00 2.17 3.41 -0.60 -4.20 113.62 112.45 3i01 n SER 69 Ca -0.02 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3i01 n SER 69 Cb 0.84 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 3i01 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i01 n GLY 70 N 1.09 0.71 3.76 5.00 0.00 0.47 -4.40 105.19 111.82 3i01 n GLY 70 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3i01 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i01 s GLU 71 N -0.17 3.06 -0.80 1.61 8.01 -1.26 -4.81 118.70 124.35 3i01 s GLU 71 Ca 0.00 1.75 -0.06 0.00 0.01 0.00 0.00 54.97 56.68 3i01 s GLU 71 Cb 0.00 -1.95 0.20 0.00 -4.31 0.00 0.00 34.13 28.07 3i01 s GLU 71 CO 0.00 -1.12 0.69 -1.21 0.01 0.00 0.00 175.26 173.63 3i01 s GLU 72 N -3.35 3.18 -0.15 1.61 2.02 -1.26 -3.85 118.70 116.90 3i01 s GLU 72 Ca 0.76 -2.83 -0.29 0.00 0.02 0.00 0.00 54.97 52.63 3i01 s GLU 72 Cb -0.28 -4.04 -0.01 0.00 0.10 0.00 0.00 34.13 29.90 3i01 s GLU 72 CO 0.32 -1.23 1.16 0.08 0.02 0.00 0.00 175.26 175.61 3i01 s VAL 73 N -0.55 4.44 0.00 2.63 1.01 -1.26 -4.84 120.40 121.82 3i01 s VAL 73 Ca 0.22 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.94 3i01 s VAL 73 Cb -0.13 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3i01 s VAL 73 CO -0.08 -0.11 0.00 0.29 0.00 0.00 0.00 175.10 175.21 3i01 n LYS 74 N 6.08 1.93 -3.84 2.72 5.02 -1.26 -4.45 118.16 124.36 3i01 n LYS 74 Ca 0.12 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 3i01 n LYS 74 Cb 0.46 -0.88 -0.09 0.00 -0.02 0.00 0.00 35.03 34.49 3i01 n LYS 74 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3i01 s LYS 75 N -1.61 0.59 0.29 1.97 -2.85 -1.26 -1.65 119.74 115.21 3i01 s LYS 75 Ca 0.00 -0.42 -0.05 0.00 -1.00 0.00 0.00 55.97 54.51 3i01 s LYS 75 Cb 0.00 0.25 0.55 0.00 -2.06 0.00 0.00 37.83 36.57 3i01 s LYS 75 CO 0.00 -0.16 1.57 -0.07 0.10 0.00 0.00 175.35 176.79 3i01 h LEU 76 N 3.94 -0.74 -1.41 2.77 3.38 -0.55 0.30 115.31 123.01 3i01 h LEU 76 Ca -0.31 0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i01 h LEU 76 Cb 1.19 0.55 0.00 0.00 0.09 0.00 0.00 40.66 42.49 3i01 h LEU 76 CO 0.43 -0.33 0.20 1.23 0.09 0.00 0.00 178.44 180.05 3i01 h GLY 77 N 0.01 0.00 2.00 0.83 0.00 -0.57 -2.60 103.07 102.74 3i01 h GLY 77 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3i01 h GLY 77 CO -0.96 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.03 3i01 h ASP 78 N 0.00 0.00 0.27 0.19 3.45 -0.64 -3.39 116.42 116.30 3i01 h ASP 78 Ca 0.00 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.12 3i01 h ASP 78 Cb 0.40 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3i01 h ASP 78 CO 0.00 0.00 -1.81 -0.07 -1.57 0.00 0.00 179.24 175.79 3i01 h LEU 79 N 0.00 0.38 -0.69 1.55 3.38 -1.62 -3.37 115.31 114.94 3i01 h LEU 79 Ca 0.00 -0.71 0.12 0.00 0.09 0.00 0.00 57.88 57.37 3i01 h LEU 79 Cb 0.82 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 3i01 h LEU 79 CO 0.00 1.63 -0.34 -0.65 0.09 0.00 0.00 178.44 179.17 3i01 h PRO 80 N 0.07 -0.11 -0.63 1.13 0.11 -1.76 0.34 132.00 131.14 3i01 h PRO 80 Ca -0.35 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.81 3i01 h PRO 80 Cb 2.04 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 33.13 3i01 h PRO 80 CO 0.12 -0.08 0.37 -1.35 -0.21 0.00 0.00 178.00 176.85 3i01 h PRO 81 N -0.12 0.69 -0.28 1.05 0.11 -1.87 -0.20 132.00 131.37 3i01 h PRO 81 Ca 0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3i01 h PRO 81 Cb 0.56 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3i01 h PRO 81 CO -0.75 0.45 0.17 0.82 -0.21 0.00 0.00 178.00 178.49 3i01 h ILE 82 N 0.71 1.10 -0.26 4.15 2.04 -1.57 -2.68 117.51 120.99 3i01 h ILE 82 Ca 0.27 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 3i01 h ILE 82 Cb 0.09 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3i01 h ILE 82 CO -0.14 0.10 -0.31 0.25 0.00 0.00 0.00 178.15 178.05 3i01 h LEU 83 N 0.37 0.56 -1.00 1.44 5.85 -0.75 -3.05 115.31 118.73 3i01 h LEU 83 Ca 0.10 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3i01 h LEU 83 Cb 0.01 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 3i01 h LEU 83 CO -0.02 0.84 0.63 0.78 -0.34 0.00 0.00 178.44 180.34 3i01 h ASN 84 N 0.47 0.97 -0.58 1.25 2.35 -0.85 -0.34 115.58 118.85 3i01 h ASN 84 Ca 0.06 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3i01 h ASN 84 Cb 0.77 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3i01 h ASN 84 CO 0.06 0.57 0.38 0.03 -1.65 0.00 0.00 177.43 176.82 3i01 h ARG 85 N 1.07 0.76 -0.16 0.81 3.08 -1.38 -1.75 114.38 116.81 3i01 h ARG 85 Ca 0.46 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.31 3i01 h ARG 85 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3i01 h ARG 85 CO -0.22 0.50 -0.55 0.87 -1.07 0.00 0.00 179.97 179.50 3i01 h LYS 86 N 0.78 0.48 -0.13 0.04 1.79 -1.28 -2.76 116.57 115.49 3i01 h LYS 86 Ca 0.22 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3i01 h LYS 86 Cb -0.08 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3i01 h LYS 86 CO -0.05 0.90 0.02 -0.09 -1.08 0.00 0.00 179.45 179.15 3i01 h ARG 87 N 0.37 0.07 0.00 3.15 2.43 -0.92 -3.01 114.38 116.46 3i01 h ARG 87 Ca 0.01 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3i01 h ARG 87 Cb 1.07 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3i01 h ARG 87 CO 0.10 0.04 -0.15 0.00 -1.51 0.00 0.00 179.97 178.45 3i01 h ALA 88 N 1.09 1.62 -0.06 2.80 0.00 -1.29 -2.79 119.26 120.63 3i01 h ALA 88 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 88 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i01 h ALA 88 CO -0.08 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3i01 n GLN 89 N -4.17 1.45 -2.93 0.00 10.64 -1.05 -4.73 117.38 116.59 3i01 n GLN 89 Ca -0.02 -0.67 -0.42 0.00 -1.83 0.00 0.00 57.00 54.06 3i01 n GLN 89 Cb 0.23 -1.42 -0.05 0.00 -0.86 0.00 0.00 30.24 28.14 3i01 n GLN 89 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3i01 s VAL 90 N -1.93 4.79 -0.05 -0.39 1.01 -1.05 -4.53 120.40 118.25 3i01 s VAL 90 Ca 0.36 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.66 3i01 s VAL 90 Cb 0.19 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3i01 s VAL 90 CO 0.30 -0.22 -0.13 -0.55 0.00 0.00 0.00 175.10 174.50 3i01 s SER 91 N 1.56 1.76 0.00 3.32 0.15 -1.26 -5.01 113.70 114.21 3i01 s SER 91 Ca 0.33 -0.29 0.28 0.00 0.70 0.00 0.00 55.95 56.98 3i01 s SER 91 Cb -0.14 -0.60 1.62 0.00 -1.71 0.00 0.00 66.02 65.18 3i01 s SER 91 CO 0.11 0.09 2.02 -0.81 1.20 0.00 0.00 173.24 175.85 3i01 n PRO 92 N 3.42 0.74 -2.57 5.44 -0.04 -1.26 -4.62 135.00 136.11 3i01 n PRO 92 Ca -0.20 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 3i01 n PRO 92 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3i01 n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i01 s VAL 93 N -2.18 3.91 -0.48 0.52 1.01 -1.26 -4.97 120.40 116.94 3i01 s VAL 93 Ca 0.38 0.71 -0.28 0.00 0.00 0.00 0.00 61.98 62.79 3i01 s VAL 93 Cb 0.19 -4.80 0.03 0.00 0.00 0.00 0.00 36.38 31.80 3i01 s VAL 93 CO 0.36 -1.54 1.10 -0.76 0.00 0.00 0.00 175.10 174.26 3i01 s LEU 94 N 5.25 3.70 0.24 3.92 1.43 -1.26 -4.76 118.68 127.19 3i01 s LEU 94 Ca 0.40 0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 3i01 s LEU 94 Cb -0.08 -3.48 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 3i01 s LEU 94 CO 0.21 -1.22 0.48 0.54 0.23 0.00 0.00 176.35 176.59 3i01 s ASN 95 N 2.44 -0.11 0.19 2.29 2.20 -1.26 -5.05 114.94 115.64 3i01 s ASN 95 Ca 0.46 -0.86 -0.11 0.00 -0.94 0.00 0.00 52.86 51.41 3i01 s ASN 95 Cb -0.08 0.58 0.21 0.00 -2.00 0.00 0.00 41.25 39.97 3i01 s ASN 95 CO 0.31 -1.13 1.75 0.15 -2.94 0.00 0.00 177.10 175.24 3i01 h PHE 96 N 2.25 0.37 -0.48 1.54 -0.00 -1.98 -0.27 116.94 118.37 3i01 h PHE 96 Ca -0.26 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 57.68 3i01 h PHE 96 Cb 1.25 -0.08 -0.02 0.00 -0.00 0.00 0.00 35.95 37.10 3i01 h PHE 96 CO 0.39 0.12 0.08 1.49 -0.00 0.00 0.00 178.31 180.40 3i01 h GLU 97 N 0.40 0.79 0.00 1.11 4.81 -1.96 -1.34 114.58 118.39 3i01 h GLU 97 Ca 0.26 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3i01 h GLU 97 Cb 0.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3i01 h GLU 97 CO -0.26 0.79 -0.43 -0.91 -0.73 0.00 0.00 179.01 177.47 3i01 h ASN 98 N 0.66 0.00 -0.45 1.04 2.35 -1.78 -1.31 115.58 116.08 3i01 h ASN 98 Ca 0.15 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 3i01 h ASN 98 Cb 0.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3i01 h ASN 98 CO 0.01 0.43 -0.10 0.00 -1.65 0.00 0.00 177.43 176.12 3i01 h ALA 99 N 1.57 0.88 -0.24 -0.83 0.00 -0.16 0.68 119.26 121.15 3i01 h ALA 99 Ca -0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 3i01 h ALA 99 Cb 0.87 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i01 h ALA 99 CO 0.06 0.64 -0.57 0.00 0.00 0.00 0.00 179.25 179.38 3i01 h ARG 100 N 0.82 0.76 -0.21 0.00 3.08 -0.65 -0.54 114.38 117.64 3i01 h ARG 100 Ca 0.13 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3i01 h ARG 100 Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3i01 h ARG 100 CO 0.04 1.12 0.07 -0.07 -1.07 0.00 0.00 179.97 180.06 3i01 h LEU 101 N 0.58 0.26 -0.59 3.04 3.38 -1.02 -1.16 115.31 119.79 3i01 h LEU 101 Ca 0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3i01 h LEU 101 Cb 1.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3i01 h LEU 101 CO 0.12 0.25 -0.68 0.00 0.09 0.00 0.00 178.44 178.23 3i01 h ALA 102 N 1.79 0.81 -0.17 1.53 0.00 -0.56 -1.54 119.26 121.12 3i01 h ALA 102 Ca 0.07 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3i01 h ALA 102 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i01 h ALA 102 CO -0.01 0.80 0.09 0.78 0.00 0.00 0.00 179.25 180.91 3i01 h GLY 103 N 1.73 0.26 1.00 0.00 0.00 -0.33 -2.01 103.07 103.72 3i01 h GLY 103 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3i01 h GLY 103 CO 0.10 0.12 0.28 -2.09 0.00 0.00 0.00 176.54 174.95 3i01 h GLU 104 N 0.17 0.56 -0.03 4.80 4.81 -1.14 -0.68 114.58 123.06 3i01 h GLU 104 Ca 0.06 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3i01 h GLU 104 Cb 0.09 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3i01 h GLU 104 CO -0.01 0.37 0.02 0.00 -0.73 0.00 0.00 179.01 178.66 3i01 h ALA 105 N 1.16 1.95 0.15 2.92 0.00 -1.22 -2.00 119.26 122.22 3i01 h ALA 105 Ca 0.16 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 3i01 h ALA 105 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i01 h ALA 105 CO -0.04 -0.04 -0.97 1.15 0.00 0.00 0.00 179.25 179.35 3i01 h THR 106 N 0.00 1.42 -0.75 0.00 2.02 -0.56 -1.67 112.91 113.37 3i01 h THR 106 Ca 0.01 -2.54 0.13 0.00 0.77 0.00 0.00 66.41 64.78 3i01 h THR 106 Cb 0.06 3.12 -0.09 0.00 -1.74 0.00 0.00 68.15 69.50 3i01 h THR 106 CO -0.00 0.73 0.34 -0.50 0.37 0.00 0.00 175.52 176.45 3i01 h TRP 107 N -0.31 0.59 -0.58 3.16 4.06 -0.96 0.27 115.95 122.18 3i01 h TRP 107 Ca -0.18 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.80 3i01 h TRP 107 Cb 1.72 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 29.70 3i01 h TRP 107 CO 0.18 0.14 0.33 1.88 -3.56 0.00 0.00 178.44 177.40 3i01 h TYR 108 N 0.52 0.78 -0.64 0.49 0.99 -1.34 -0.65 116.97 117.13 3i01 h TYR 108 Ca 0.40 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.09 3i01 h TYR 108 Cb 0.54 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 37.99 3i01 h TYR 108 CO -0.14 0.56 0.29 0.00 -0.00 0.00 0.00 178.16 178.87 3i01 h ALA 109 N 1.15 0.82 -0.43 3.88 0.00 -0.71 -1.53 119.26 122.45 3i01 h ALA 109 Ca 0.20 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3i01 h ALA 109 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i01 h ALA 109 CO -0.03 0.40 -0.13 0.00 0.00 0.00 0.00 179.25 179.49 3i01 h ALA 110 N 1.12 0.96 -0.34 0.00 0.00 -0.32 -1.08 119.26 119.60 3i01 h ALA 110 Ca 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i01 h ALA 110 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i01 h ALA 110 CO -0.02 0.61 0.17 1.49 0.00 0.00 0.00 179.25 181.49 3i01 h GLU 111 N 0.71 0.49 -0.22 0.00 4.57 -0.89 -1.06 114.58 118.17 3i01 h GLU 111 Ca 0.12 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3i01 h GLU 111 Cb 0.62 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3i01 h GLU 111 CO 0.04 0.44 0.05 0.82 -1.18 0.00 0.00 179.01 179.17 3i01 h ILE 112 N 0.42 1.22 -0.59 2.32 2.04 -1.10 -1.24 117.51 120.57 3i01 h ILE 112 Ca 0.12 -0.72 0.09 0.00 1.00 0.00 0.00 64.86 65.35 3i01 h ILE 112 Cb 0.11 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 3i01 h ILE 112 CO -0.02 0.23 0.20 0.40 0.00 0.00 0.00 178.15 178.96 3i01 h ILE 113 N 0.18 0.75 -0.56 -0.67 2.04 -1.13 -0.66 117.51 117.46 3i01 h ILE 113 Ca 0.07 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3i01 h ILE 113 Cb 0.30 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3i01 h ILE 113 CO 0.00 0.07 0.11 -0.33 0.00 0.00 0.00 178.15 178.00 3i01 h GLU 114 N 0.37 0.91 -0.30 2.37 4.39 -1.02 -0.89 114.58 120.40 3i01 h GLU 114 Ca 0.30 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 3i01 h GLU 114 Cb 0.38 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3i01 h GLU 114 CO -0.32 0.87 0.02 0.00 -1.16 0.00 0.00 179.01 178.42 3i01 h ALA 115 N 1.00 1.48 -0.26 3.43 0.00 -0.79 -0.87 119.26 123.25 3i01 h ALA 115 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3i01 h ALA 115 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i01 h ALA 115 CO 0.01 0.38 -0.00 -0.07 0.00 0.00 0.00 179.25 179.56 3i01 h LEU 116 N 0.44 0.46 -0.65 0.00 3.38 -0.76 -2.75 115.31 115.42 3i01 h LEU 116 Ca 0.10 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 57.89 3i01 h LEU 116 Cb 0.26 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 3i01 h LEU 116 CO 0.01 0.66 0.13 -0.09 0.09 0.00 0.00 178.44 179.24 3i01 h ARG 117 N 0.24 0.25 0.00 1.13 2.43 -0.85 -2.13 114.38 115.44 3i01 h ARG 117 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i01 h ARG 117 Cb 0.43 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3i01 h ARG 117 CO 0.01 0.16 0.00 0.66 -1.51 0.00 0.00 179.97 179.30 3i01 n TYR 118 N -5.15 0.00 0.28 2.20 4.01 -0.36 -1.74 117.16 116.40 3i01 n TYR 118 Ca 0.11 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 58.00 3i01 n TYR 118 Cb 0.37 0.00 0.81 0.00 -0.31 0.00 0.00 39.34 40.21 3i01 n TYR 118 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3i01 h LEU 119 N 0.00 0.00 -1.28 7.72 3.38 -1.28 -2.69 115.31 121.15 3i01 h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i01 h LEU 119 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i01 h LEU 119 CO 0.00 0.07 -0.27 0.29 0.09 0.00 0.00 178.44 178.63 3i01 n LYS 120 N -3.39 1.60 -2.39 1.13 4.76 -0.71 -4.97 118.16 114.19 3i01 n LYS 120 Ca -0.01 -1.28 -0.37 0.00 -2.87 0.00 0.00 58.31 53.77 3i01 n LYS 120 Cb 0.23 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.92 3i01 n LYS 120 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3i01 s TYR 121 N -2.29 3.10 0.00 2.13 5.04 -1.02 -4.97 117.35 119.34 3i01 s TYR 121 Ca 0.23 1.59 -0.04 0.00 -2.44 0.00 0.00 57.07 56.41 3i01 s TYR 121 Cb 0.19 -3.28 -0.00 0.00 0.35 0.00 0.00 41.96 39.22 3i01 s TYR 121 CO 0.46 -1.09 0.07 0.15 -1.34 0.00 0.00 175.55 173.80 3i01 s LYS 122 N -2.49 0.34 0.52 4.97 1.02 -1.18 -5.01 119.74 117.92 3i01 s LYS 122 Ca 0.59 -0.36 0.18 0.00 0.02 0.00 0.00 55.97 56.40 3i01 s LYS 122 Cb -0.27 0.14 1.33 0.00 -0.52 0.00 0.00 37.83 38.52 3i01 s LYS 122 CO 0.33 -0.07 2.15 -1.00 -0.92 0.00 0.00 175.35 175.84 3i01 h PRO 123 N 4.77 0.00 0.00 -1.68 0.13 -2.01 0.31 132.00 133.52 3i01 h PRO 123 Ca -0.30 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.78 3i01 h PRO 123 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3i01 h PRO 123 CO 0.42 0.02 -0.24 0.38 -0.23 0.00 0.00 178.00 178.35 3i01 h ASP 124 N 0.00 0.00 -2.59 1.44 -0.00 -2.02 -3.40 116.42 109.85 3i01 h ASP 124 Ca -0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.03 56.43 3i01 h ASP 124 Cb 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 39.33 38.98 3i01 h ASP 124 CO 0.00 0.24 -0.85 -0.62 -0.00 0.00 0.00 179.24 178.02 3i01 n GLU 125 N -3.75 0.75 -1.06 4.15 1.02 0.11 -5.11 120.64 116.74 3i01 n GLU 125 Ca -0.01 -3.61 -0.31 0.00 -0.02 0.00 0.00 57.16 53.20 3i01 n GLU 125 Cb 0.35 -1.87 0.12 0.00 -0.02 0.00 0.00 31.44 30.02 3i01 n GLU 125 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3i01 s PRO 126 N -0.48 1.78 0.51 3.49 0.04 -1.23 -3.09 135.00 136.02 3i01 s PRO 126 Ca 0.30 1.36 0.32 0.00 0.04 0.00 0.00 61.00 63.02 3i01 s PRO 126 Cb 0.02 -1.83 1.23 0.00 0.04 0.00 0.00 34.50 33.96 3i01 s PRO 126 CO -0.19 -2.03 1.92 -0.07 0.04 0.00 0.00 177.00 176.67 3i01 h LEU 127 N -1.34 0.00 -7.55 -3.56 3.38 -1.93 -3.43 115.31 100.88 3i01 h LEU 127 Ca -0.44 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.32 3i01 h LEU 127 Cb 1.25 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.71 3i01 h LEU 127 CO 0.47 0.00 -0.59 -0.76 0.09 0.00 0.00 178.44 177.66 3i01 s LEU 128 N -6.02 1.26 0.72 1.67 1.43 -1.26 -5.16 118.68 111.32 3i01 s LEU 128 Ca 0.02 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 3i01 s LEU 128 Cb 0.09 0.38 0.02 0.00 0.03 0.00 0.00 46.19 46.71 3i01 s LEU 128 CO 0.54 -0.08 1.07 -2.16 0.23 0.00 0.00 176.35 175.95 3i01 s PRO 129 N 0.46 2.76 0.47 1.29 0.04 -1.26 -4.81 135.00 133.95 3i01 s PRO 129 Ca -0.03 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.68 3i01 s PRO 129 Cb -0.05 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3i01 s PRO 129 CO -0.02 -1.21 0.80 -2.30 0.04 0.00 0.00 177.00 174.32 3i01 n PRO 130 N -3.19 0.94 -0.00 0.56 -0.02 -1.26 -2.13 135.00 129.90 3i01 n PRO 130 Ca 0.07 0.35 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 3i01 n PRO 130 Cb 0.54 -1.86 0.79 0.00 -0.02 0.00 0.00 33.50 32.95 3i01 n PRO 130 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i01 n PRO 131 N 0.08 1.24 -1.46 0.52 -0.04 -1.26 -5.10 135.00 128.97 3i01 n PRO 131 Ca 0.11 -0.35 -0.36 0.00 -0.04 0.00 0.00 63.50 62.86 3i01 n PRO 131 Cb 0.42 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.47 3i01 n PRO 131 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3i01 n TRP 132 N -0.57 1.37 -0.05 0.54 8.01 -0.91 -4.41 117.44 121.42 3i01 n TRP 132 Ca 0.22 0.41 -0.06 0.00 -1.31 0.00 0.00 57.50 56.76 3i01 n TRP 132 Cb 0.20 -2.17 -0.06 0.00 -2.01 0.00 0.00 31.31 27.27 3i01 n TRP 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3i01 n THR 133 N -2.42 0.65 -3.47 -0.99 -2.24 0.14 -4.80 114.28 101.15 3i01 n THR 133 Ca 0.14 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3i01 n THR 133 Cb 0.49 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3i01 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i01 n GLY 134 N 2.69 2.22 3.64 3.38 0.00 -1.07 -4.48 105.19 111.58 3i01 n GLY 134 Ca -0.18 -0.38 -0.48 0.00 0.00 0.00 0.00 46.02 44.98 3i01 n GLY 134 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i01 n PHE 135 N 11.72 2.03 -3.72 1.61 7.35 -1.26 -4.86 117.46 130.32 3i01 n PHE 135 Ca 0.00 0.39 -0.35 0.00 -0.76 0.00 0.00 57.45 56.73 3i01 n PHE 135 Cb 0.00 -2.47 -0.09 0.00 0.35 0.00 0.00 39.48 37.27 3i01 n PHE 135 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3i01 s ILE 136 N 0.72 5.35 0.71 -2.13 1.01 -1.26 -5.07 121.20 120.53 3i01 s ILE 136 Ca 0.80 0.17 -0.14 0.00 0.00 0.00 0.00 60.65 61.48 3i01 s ILE 136 Cb -0.76 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.28 3i01 s ILE 136 CO 0.41 0.41 1.12 -0.83 0.00 0.00 0.00 174.94 176.05 3i01 s GLY 137 N 0.59 2.05 0.31 6.18 0.00 -1.26 -4.87 107.32 110.31 3i01 s GLY 137 Ca 0.08 0.54 0.06 0.00 0.00 0.00 0.00 44.72 45.39 3i01 s GLY 137 CO 0.00 0.90 1.81 -0.55 0.00 0.00 0.00 173.10 175.26 3i01 h ASP 138 N -0.39 0.79 -0.16 1.64 3.45 -1.14 -1.83 116.42 118.78 3i01 h ASP 138 Ca -0.46 0.07 0.05 0.00 0.43 0.00 0.00 57.03 57.12 3i01 h ASP 138 Cb 1.25 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 3i01 h ASP 138 CO 0.52 0.34 0.12 -0.65 -1.57 0.00 0.00 179.24 178.00 3i01 h PRO 139 N 0.80 0.00 -0.05 3.56 0.11 -1.89 -0.59 132.00 133.95 3i01 h PRO 139 Ca 0.54 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.55 3i01 h PRO 139 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3i01 h PRO 139 CO -0.31 0.00 -0.33 0.28 -0.21 0.00 0.00 178.00 177.42 3i01 h VAL 140 N 0.00 1.44 -0.49 3.15 2.07 -1.69 -1.56 116.25 119.17 3i01 h VAL 140 Ca 0.08 -1.78 0.08 0.00 0.82 0.00 0.00 66.70 65.89 3i01 h VAL 140 Cb 0.32 2.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 3i01 h VAL 140 CO -0.00 0.51 0.11 0.58 0.02 0.00 0.00 177.57 178.79 3i01 h VAL 141 N -0.21 0.74 -0.14 2.57 2.07 -1.33 -1.80 116.25 118.16 3i01 h VAL 141 Ca -0.03 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 3i01 h VAL 141 Cb 1.00 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3i01 h VAL 141 CO 0.07 0.05 -0.42 0.03 0.02 0.00 0.00 177.57 177.31 3i01 h ARG 142 N 0.25 0.33 -0.93 1.57 3.08 -1.16 -3.12 114.38 114.40 3i01 h ARG 142 Ca 0.24 -0.17 0.12 0.00 0.07 0.00 0.00 59.98 60.25 3i01 h ARG 142 Cb 0.31 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.29 3i01 h ARG 142 CO -0.31 0.70 0.59 -0.09 -1.07 0.00 0.00 179.97 179.80 3i01 h ARG 143 N 0.27 0.83 -0.36 0.04 2.43 -0.39 -1.88 114.38 115.32 3i01 h ARG 143 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i01 h ARG 143 Cb 0.86 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3i01 h ARG 143 CO 0.07 0.55 0.00 1.19 -1.51 0.00 0.00 179.97 180.27 3i01 n PHE 144 N -4.57 0.47 -0.05 2.20 3.72 -1.10 -4.28 117.46 113.85 3i01 n PHE 144 Ca 0.17 -0.26 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 3i01 n PHE 144 Cb 0.38 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 3i01 n PHE 144 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3i01 h GLY 145 N 4.07 0.29 1.17 1.37 0.00 -1.27 -2.33 103.07 106.36 3i01 h GLY 145 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.24 3i01 h GLY 145 CO 0.00 0.12 0.48 1.19 0.00 0.00 0.00 176.54 178.32 3i01 h ILE 146 N 0.23 1.11 0.00 2.60 6.09 -1.74 -0.13 117.51 125.67 3i01 h ILE 146 Ca 0.07 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 63.23 3i01 h ILE 146 Cb 0.03 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 37.47 3i01 h ILE 146 CO -0.01 0.16 -0.12 0.11 -3.07 0.00 0.00 178.15 175.22 3i01 h LYS 147 N 0.88 0.00 -0.01 2.19 1.57 -1.81 -3.28 116.57 116.11 3i01 h LYS 147 Ca 0.29 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.89 3i01 h LYS 147 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3i01 h LYS 147 CO -0.08 0.12 -0.81 0.52 -0.57 0.00 0.00 179.45 178.62 3i01 h MET 148 N 0.00 0.13 0.00 3.15 2.86 -0.46 -0.33 114.93 120.28 3i01 h MET 148 Ca -0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 3i01 h MET 148 Cb 0.91 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 3i01 h MET 148 CO 0.02 0.87 -0.20 -0.39 1.06 0.00 0.00 176.91 178.26 3i01 h VAL 149 N 0.08 0.75 -0.31 -2.22 -1.51 -1.54 -2.42 116.25 109.07 3i01 h VAL 149 Ca -0.03 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3i01 h VAL 149 Cb 1.42 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 3i01 h VAL 149 CO 0.12 0.20 0.00 -0.90 -1.23 0.00 0.00 177.57 175.76 3i01 n ASP 150 N -3.72 2.87 -0.15 4.19 3.85 -1.26 -4.71 116.55 117.62 3i01 n ASP 150 Ca -0.01 -2.03 -0.02 0.00 -0.71 0.00 0.00 54.79 52.01 3i01 n ASP 150 Cb 0.32 -0.22 -0.01 0.00 -1.35 0.00 0.00 41.12 39.86 3i01 n ASP 150 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3i01 n TRP 151 N 0.39 0.00 -0.12 2.11 7.02 -0.91 -4.89 117.44 121.03 3i01 n TRP 151 Ca 0.11 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.71 3i01 n TRP 151 Cb 0.42 -0.90 0.47 0.00 -2.42 0.00 0.00 31.31 28.89 3i01 n TRP 151 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i01 h THR 152 N 0.00 0.89 -3.12 -0.99 1.03 -1.66 -2.36 112.91 106.70 3i01 h THR 152 Ca -0.04 -0.16 -0.69 0.00 -0.01 0.00 0.00 66.41 65.51 3i01 h THR 152 Cb 0.37 0.38 -0.18 0.00 -1.07 0.00 0.00 68.15 67.64 3i01 h THR 152 CO 0.06 0.09 0.09 -0.63 -0.01 0.00 0.00 175.52 175.12 3i01 s ILE 153 N -5.45 4.84 -0.59 0.00 1.01 -0.19 -4.59 121.20 116.22 3i01 s ILE 153 Ca -0.08 -0.64 0.25 0.00 0.00 0.00 0.00 60.65 60.18 3i01 s ILE 153 Cb 0.20 -4.37 0.30 0.00 0.01 0.00 0.00 42.46 38.60 3i01 s ILE 153 CO 0.76 -0.93 1.73 1.55 0.00 0.00 0.00 174.94 178.05 3i01 h PRO 154 N 9.08 0.00 0.00 2.79 0.13 -1.60 -3.42 132.00 138.98 3i01 h PRO 154 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i01 h PRO 154 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3i01 h PRO 154 CO 1.02 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 3i01 n GLY 155 N 1.09 -1.16 2.88 1.56 0.00 -1.26 -4.74 105.19 103.56 3i01 n GLY 155 Ca 0.05 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 3i01 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i01 s GLU 156 N -0.54 0.83 -0.22 1.61 8.01 0.14 -2.04 118.70 126.50 3i01 s GLU 156 Ca 0.00 -0.09 -0.05 0.00 0.01 0.00 0.00 54.97 54.83 3i01 s GLU 156 Cb 0.00 -0.87 -0.02 0.00 -4.31 0.00 0.00 34.13 28.93 3i01 s GLU 156 CO 0.00 -0.10 0.01 0.00 0.01 0.00 0.00 175.26 175.18 3i01 s ALA 157 N 1.01 3.03 -0.40 5.21 0.00 -0.11 -1.71 121.76 128.79 3i01 s ALA 157 Ca -0.10 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 3i01 s ALA 157 Cb -0.14 -1.83 0.05 0.00 0.00 0.00 0.00 23.12 21.19 3i01 s ALA 157 CO -0.00 -0.28 0.25 0.42 0.00 0.00 0.00 175.76 176.15 3i01 s ILE 158 N 1.23 4.59 -0.35 0.00 1.01 -0.42 -0.98 121.20 126.27 3i01 s ILE 158 Ca 0.04 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 3i01 s ILE 158 Cb -0.15 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3i01 s ILE 158 CO 0.01 -0.36 0.22 -0.63 0.00 0.00 0.00 174.94 174.18 3i01 s ILE 159 N 1.53 4.95 -0.21 2.92 1.01 1.00 -0.57 121.20 131.83 3i01 s ILE 159 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3i01 s ILE 159 Cb -0.21 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.68 3i01 s ILE 159 CO 0.06 -0.09 -0.15 -0.22 0.00 0.00 0.00 174.94 174.54 3i01 s LEU 160 N 1.65 2.62 0.00 2.97 2.96 -0.38 -1.03 118.68 127.46 3i01 s LEU 160 Ca 0.05 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 53.00 3i01 s LEU 160 Cb -0.18 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.06 3i01 s LEU 160 CO 0.08 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 3i01 n GLY 161 N 4.57 0.14 2.71 7.98 0.00 -0.59 -1.01 105.19 118.99 3i01 n GLY 161 Ca -0.17 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 3i01 n GLY 161 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i01 s ARG 162 N 0.00 0.01 0.86 1.61 3.52 -0.24 -1.48 118.95 123.22 3i01 s ARG 162 Ca 0.00 0.29 -0.12 0.00 -0.13 0.00 0.00 55.73 55.77 3i01 s ARG 162 Cb 0.00 -0.47 0.11 0.00 -1.56 0.00 0.00 34.95 33.02 3i01 s ARG 162 CO 0.00 -0.27 1.10 0.00 -0.81 0.00 0.00 175.30 175.31 3i01 s ALA 163 N 1.79 1.83 0.55 6.12 0.00 -1.26 -2.63 121.76 128.16 3i01 s ALA 163 Ca 0.00 -0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.05 3i01 s ALA 163 Cb -0.12 -3.15 1.50 0.00 0.00 0.00 0.00 23.12 21.34 3i01 s ALA 163 CO -0.03 -2.11 2.14 1.57 0.00 0.00 0.00 175.76 177.33 3i01 h LYS 164 N -1.37 0.00 -1.62 0.00 2.10 -1.99 -3.43 116.57 110.26 3i01 h LYS 164 Ca -0.49 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.31 3i01 h LYS 164 Cb 1.28 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.40 3i01 h LYS 164 CO 0.57 0.00 0.65 0.16 -2.00 0.00 0.00 179.45 178.83 3i01 s ASP 165 N -6.48 -0.27 0.33 7.07 1.47 -1.26 -5.07 116.67 112.45 3i01 s ASP 165 Ca -0.05 0.18 0.01 0.00 1.18 0.00 0.00 52.55 53.87 3i01 s ASP 165 Cb 0.17 0.25 0.55 0.00 -0.34 0.00 0.00 42.92 43.54 3i01 s ASP 165 CO 0.63 -0.33 1.94 0.28 0.68 0.00 0.00 175.17 178.36 3i01 h SER 166 N 2.25 0.73 -0.24 2.11 0.02 -1.89 -2.76 113.55 113.78 3i01 h SER 166 Ca -0.16 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 3i01 h SER 166 Cb 1.18 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3i01 h SER 166 CO 0.28 0.61 -0.11 0.11 -1.14 0.00 0.00 176.83 176.58 3i01 h LYS 167 N 0.83 0.63 -0.41 3.45 1.57 -1.98 -0.23 116.57 120.43 3i01 h LYS 167 Ca 0.21 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3i01 h LYS 167 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3i01 h LYS 167 CO -0.03 0.73 -0.13 0.00 -0.57 0.00 0.00 179.45 179.45 3i01 h ALA 168 N 1.30 0.57 -0.37 3.86 0.00 -1.92 -2.10 119.26 120.60 3i01 h ALA 168 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3i01 h ALA 168 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3i01 h ALA 168 CO 0.03 0.48 0.17 1.25 0.00 0.00 0.00 179.25 181.18 3i01 h LEU 169 N 0.64 0.49 -0.91 0.00 5.85 -1.37 -2.54 115.31 117.47 3i01 h LEU 169 Ca 0.10 -0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.82 3i01 h LEU 169 Cb 0.68 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 3i01 h LEU 169 CO 0.05 0.49 0.53 0.00 -0.34 0.00 0.00 178.44 179.17 3i01 h ALA 170 N 1.02 1.40 -0.08 1.25 0.00 -0.95 0.13 119.26 122.03 3i01 h ALA 170 Ca 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i01 h ALA 170 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i01 h ALA 170 CO -0.01 0.03 0.00 -0.22 0.00 0.00 0.00 179.25 179.04 3i01 h LYS 171 N 0.77 0.15 0.01 0.00 3.64 -1.11 0.02 116.57 120.04 3i01 h LYS 171 Ca 0.48 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3i01 h LYS 171 Cb 0.62 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3i01 h LYS 171 CO -0.32 0.40 -0.00 0.82 -2.27 0.00 0.00 179.45 178.08 3i01 h ILE 172 N -0.13 1.07 -0.84 2.00 2.04 -1.16 -2.58 117.51 117.91 3i01 h ILE 172 Ca 0.02 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.78 3i01 h ILE 172 Cb 0.34 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 3i01 h ILE 172 CO 0.00 0.06 0.47 0.58 0.00 0.00 0.00 178.15 179.26 3i01 h VAL 173 N -0.10 0.85 -0.37 1.67 2.07 -0.72 -0.04 116.25 119.61 3i01 h VAL 173 Ca -0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3i01 h VAL 173 Cb 0.10 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3i01 h VAL 173 CO 0.00 0.14 0.01 0.50 0.02 0.00 0.00 177.57 178.24 3i01 h LYS 174 N 0.75 0.58 -0.05 1.57 3.64 -0.89 -1.19 116.57 120.98 3i01 h LYS 174 Ca 0.42 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 3i01 h LYS 174 Cb 0.46 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3i01 h LYS 174 CO -0.28 0.60 -0.38 1.49 -2.27 0.00 0.00 179.45 178.61 3i01 h GLU 175 N 0.56 0.34 -0.16 1.90 4.81 -0.96 -2.15 114.58 118.92 3i01 h GLU 175 Ca 0.12 -0.30 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3i01 h GLU 175 Cb 0.34 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 3i01 h GLU 175 CO 0.01 0.96 -0.18 -0.07 -0.73 0.00 0.00 179.01 179.00 3i01 h LEU 176 N -0.17 -0.57 -1.06 1.64 3.38 -0.86 -1.77 115.31 115.89 3i01 h LEU 176 Ca -0.03 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3i01 h LEU 176 Cb 1.05 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3i01 h LEU 176 CO 0.08 -0.23 0.01 0.24 0.09 0.00 0.00 178.44 178.63 3i01 h MET 177 N -0.21 0.67 -0.72 1.13 2.86 -1.28 -1.09 114.93 116.29 3i01 h MET 177 Ca 0.11 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3i01 h MET 177 Cb 0.38 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3i01 h MET 177 CO -0.29 0.69 0.29 0.78 1.06 0.00 0.00 176.91 179.44 3i01 h GLY 178 N 0.92 1.13 1.12 8.32 0.00 -1.22 -1.63 103.07 111.72 3i01 h GLY 178 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i01 h GLY 178 CO 0.01 0.56 0.00 1.03 0.00 0.00 0.00 176.54 178.15 3i01 n MET 179 N -4.30 0.84 -0.36 4.80 2.00 -0.68 -4.61 117.12 114.81 3i01 n MET 179 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 3i01 n MET 179 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.90 3i01 n MET 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i01 n GLY 180 N 0.97 0.79 3.77 3.03 0.00 -0.61 -4.56 105.19 108.57 3i01 n GLY 180 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3i01 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i01 s PHE 181 N -2.15 2.83 -0.04 1.61 0.40 -0.50 -4.25 117.98 115.88 3i01 s PHE 181 Ca 0.00 1.44 -0.21 0.00 -0.60 0.00 0.00 56.93 57.55 3i01 s PHE 181 Cb 0.00 -3.62 -0.05 0.00 0.51 0.00 0.00 43.02 39.86 3i01 s PHE 181 CO 0.00 -1.99 0.62 1.41 0.70 0.00 0.00 175.22 175.96 3i01 s MET 182 N -2.30 4.37 0.11 0.44 -2.45 -0.86 -4.53 119.30 114.08 3i01 s MET 182 Ca 0.58 0.75 0.11 0.00 -1.25 0.00 0.00 55.69 55.88 3i01 s MET 182 Cb -0.37 -3.39 -0.04 0.00 1.25 0.00 0.00 34.83 32.29 3i01 s MET 182 CO 0.47 0.24 -0.27 -0.51 1.05 0.00 0.00 175.02 176.00 3i01 s LEU 183 N 0.24 2.29 -0.07 4.11 1.43 -0.15 -0.93 118.68 125.60 3i01 s LEU 183 Ca 0.33 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3i01 s LEU 183 Cb -0.18 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3i01 s LEU 183 CO 0.17 0.19 -0.09 -0.36 0.23 0.00 0.00 176.35 176.49 3i01 s PHE 184 N -1.01 1.27 -0.07 0.29 0.40 -0.15 -0.67 117.98 118.03 3i01 s PHE 184 Ca 0.14 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 3i01 s PHE 184 Cb -0.10 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.45 3i01 s PHE 184 CO 0.05 -0.30 -0.13 0.42 0.70 0.00 0.00 175.22 175.96 3i01 s ILE 185 N 0.97 1.19 -0.02 0.64 1.09 0.07 -0.00 121.20 125.15 3i01 s ILE 185 Ca -0.09 -0.51 0.02 0.00 -1.10 0.00 0.00 60.65 58.96 3i01 s ILE 185 Cb -0.15 -1.08 0.00 0.00 -1.06 0.00 0.00 42.46 40.17 3i01 s ILE 185 CO 0.00 0.37 -0.05 0.00 -0.10 0.00 0.00 174.94 175.16 3i01 n ASP 187 N 3.29 0.00 0.16 0.00 8.00 0.58 -1.54 116.55 127.04 3i01 n ASP 187 Ca -0.17 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.39 3i01 n ASP 187 Cb 0.55 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.98 3i01 n ASP 187 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i01 n GLU 188 N 0.00 0.08 0.24 -1.24 4.71 -1.15 0.29 120.64 123.56 3i01 n GLU 188 Ca 0.00 0.55 0.08 0.00 -0.01 0.00 0.00 57.16 57.78 3i01 n GLU 188 Cb 0.00 -2.08 0.59 0.00 -1.01 0.00 0.00 31.44 28.94 3i01 n GLU 188 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i01 h ALA 189 N 1.15 1.54 0.49 0.62 0.00 -1.45 -0.98 119.26 120.63 3i01 h ALA 189 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i01 h ALA 189 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3i01 h ALA 189 CO 0.00 0.20 -0.36 0.28 0.00 0.00 0.00 179.25 179.36 3i01 h VAL 190 N 0.00 0.26 -0.13 0.00 2.07 -0.43 -2.11 116.25 115.91 3i01 h VAL 190 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3i01 h VAL 190 Cb 0.32 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3i01 h VAL 190 CO 0.02 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 176.98 3i01 h GLU 191 N -0.84 0.24 -0.67 1.57 3.07 -1.64 -1.22 114.58 115.09 3i01 h GLU 191 Ca -0.05 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 58.75 3i01 h GLU 191 Cb 0.71 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.56 3i01 h GLU 191 CO 0.01 0.53 0.41 1.96 -1.40 0.00 0.00 179.01 180.53 3i01 h GLN 192 N 0.21 0.78 -0.06 2.33 4.20 -1.17 0.45 115.11 121.86 3i01 h GLN 192 Ca 0.03 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.50 3i01 h GLN 192 Cb 0.65 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 3i01 h GLN 192 CO 0.05 0.52 -0.78 -0.07 -0.67 0.00 0.00 178.83 177.88 3i01 h LEU 193 N 0.81 0.47 -0.50 1.46 3.38 -0.85 -2.69 115.31 117.38 3i01 h LEU 193 Ca 0.27 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3i01 h LEU 193 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3i01 h LEU 193 CO -0.11 1.08 -0.48 -0.07 0.09 0.00 0.00 178.44 178.94 3i01 h LEU 194 N 0.25 0.75 -0.77 1.67 3.38 -1.06 -1.43 115.31 118.10 3i01 h LEU 194 Ca -0.04 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.57 3i01 h LEU 194 Cb 1.36 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 3i01 h LEU 194 CO 0.13 1.10 0.50 -0.08 0.09 0.00 0.00 178.44 180.19 3i01 h GLU 195 N 0.54 1.02 -0.44 1.13 4.81 -0.91 -1.19 114.58 119.54 3i01 h GLU 195 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i01 h GLU 195 Cb 1.03 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3i01 h GLU 195 CO 0.10 0.68 0.00 0.39 -0.73 0.00 0.00 179.01 179.45 3i01 n GLU 196 N -4.54 0.96 -2.42 1.92 -0.58 -1.02 -4.88 120.64 110.08 3i01 n GLU 196 Ca 0.07 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.69 3i01 n GLU 196 Cb 0.02 -1.22 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 3i01 n GLU 196 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3i01 n ASN 197 N -0.26 -3.93 -4.73 1.62 3.02 -0.45 -4.92 115.26 105.62 3i01 n ASN 197 Ca 0.00 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 3i01 n ASN 197 Cb 0.11 -3.35 -0.03 0.00 -0.61 0.00 0.00 39.78 35.90 3i01 n ASN 197 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i01 s VAL 198 N -2.61 3.96 -0.17 2.41 0.11 -0.55 -4.97 120.40 118.57 3i01 s VAL 198 Ca 0.00 1.53 -0.29 0.00 -2.93 0.00 0.00 61.98 60.29 3i01 s VAL 198 Cb 0.00 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 3i01 s VAL 198 CO 0.00 0.19 1.70 -0.54 -3.33 0.00 0.00 175.10 173.12 3i01 s LYS 199 N 0.35 3.83 0.33 1.54 3.01 -1.26 -4.60 119.74 122.94 3i01 s LYS 199 Ca 0.54 1.86 0.09 0.00 -1.01 0.00 0.00 55.97 57.45 3i01 s LYS 199 Cb -0.29 -4.07 -0.06 0.00 -1.01 0.00 0.00 37.83 32.40 3i01 s LYS 199 CO 0.32 -1.26 -0.09 -0.51 0.51 0.00 0.00 175.35 174.33 3i01 s LEU 200 N 5.20 2.67 0.00 3.17 1.43 -1.26 -4.96 118.68 124.93 3i01 s LEU 200 Ca 0.76 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3i01 s LEU 200 Cb -0.28 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.03 3i01 s LEU 200 CO 0.31 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3i01 n GLY 201 N -0.74 3.29 0.37 -3.19 0.00 -0.14 -4.86 105.19 99.92 3i01 n GLY 201 Ca -0.05 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.23 3i01 n GLY 201 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i01 h ILE 202 N 0.85 0.03 0.00 -0.61 2.04 -1.81 -1.93 117.51 116.08 3i01 h ILE 202 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3i01 h ILE 202 Cb 0.00 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3i01 h ILE 202 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62 3i01 n ASP 203 N -5.54 0.63 -0.78 1.72 8.00 -1.26 -2.04 116.55 117.28 3i01 n ASP 203 Ca 0.12 0.74 0.08 0.00 0.71 0.00 0.00 54.79 56.44 3i01 n ASP 203 Cb 0.44 -0.84 0.15 0.00 -0.02 0.00 0.00 41.12 40.85 3i01 n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i01 n TYR 204 N -2.29 0.37 -2.45 1.24 4.01 -0.75 -4.44 117.16 112.85 3i01 n TYR 204 Ca -0.00 -0.28 -0.15 0.00 -0.16 0.00 0.00 57.90 57.30 3i01 n TYR 204 Cb 0.11 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 3i01 n TYR 204 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3i01 n ILE 205 N 0.91 -0.74 -3.52 -0.72 5.41 -0.86 -4.58 119.36 115.26 3i01 n ILE 205 Ca 0.13 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.59 3i01 n ILE 205 Cb 0.45 -2.15 -0.14 0.00 -0.71 0.00 0.00 39.64 37.09 3i01 n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i01 s ALA 206 N -2.76 0.79 -0.34 -1.39 0.00 -1.12 -0.97 121.76 115.96 3i01 s ALA 206 Ca 0.01 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 3i01 s ALA 206 Cb -0.01 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 3i01 s ALA 206 CO 0.01 -1.84 0.37 0.71 0.00 0.00 0.00 175.76 175.02 3i01 s TYR 207 N 1.66 3.21 -0.21 0.00 2.02 0.15 -0.96 117.35 123.22 3i01 s TYR 207 Ca 0.13 -0.02 -0.25 0.00 -0.37 0.00 0.00 57.07 56.55 3i01 s TYR 207 Cb -0.19 -2.69 -0.01 0.00 -0.40 0.00 0.00 41.96 38.67 3i01 s TYR 207 CO -0.21 -0.45 0.83 -1.25 -1.57 0.00 0.00 175.55 172.90 3i01 s PRO 208 N 2.04 4.23 -0.08 -1.71 0.05 -1.26 -0.75 135.00 137.52 3i01 s PRO 208 Ca 0.12 0.97 0.00 0.00 0.05 0.00 0.00 61.00 62.15 3i01 s PRO 208 Cb -0.16 -3.61 -0.25 0.00 0.05 0.00 0.00 34.50 30.52 3i01 s PRO 208 CO 0.12 -0.43 0.51 -0.07 0.05 0.00 0.00 177.00 177.18 3i01 h LEU 209 N 8.79 0.27 0.00 -3.56 3.38 -0.78 0.41 115.31 123.82 3i01 h LEU 209 Ca -0.26 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3i01 h LEU 209 Cb 1.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3i01 h LEU 209 CO 0.86 1.53 0.00 0.61 0.09 0.00 0.00 178.44 181.52 3i01 n GLY 210 N 1.82 0.36 3.29 0.83 0.00 -1.25 -2.59 105.19 107.64 3i01 n GLY 210 Ca -0.25 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 3i01 n GLY 210 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i01 s ASN 211 N -4.00 0.99 1.46 1.61 0.02 -1.26 -0.30 114.94 113.46 3i01 s ASN 211 Ca 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 52.86 50.48 3i01 s ASN 211 Cb 0.00 0.20 0.00 0.00 0.02 0.00 0.00 41.25 41.47 3i01 s ASN 211 CO 0.00 -0.74 0.00 0.33 0.02 0.00 0.00 177.10 176.71 3i01 n PHE 212 N -0.40 0.00 0.22 2.20 7.35 -1.26 -0.23 117.46 125.33 3i01 n PHE 212 Ca -0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 3i01 n PHE 212 Cb 0.66 0.00 0.14 0.00 0.35 0.00 0.00 39.48 40.62 3i01 n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3i01 n THR 213 N 0.00 1.56 0.26 -2.13 -2.24 -1.26 -2.60 114.28 107.87 3i01 n THR 213 Ca 0.00 0.39 0.11 0.00 -2.27 0.00 0.00 64.05 62.28 3i01 n THR 213 Cb 0.00 -1.28 0.54 0.00 -2.10 0.00 0.00 70.33 67.49 3i01 n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 n GLN 214 N -1.50 0.16 -0.10 -0.78 3.00 0.68 -2.20 117.38 116.64 3i01 n GLN 214 Ca 0.02 0.55 0.26 0.00 -0.01 0.00 0.00 57.00 57.81 3i01 n GLN 214 Cb 0.07 -1.92 0.72 0.00 0.00 0.00 0.00 30.24 29.12 3i01 n GLN 214 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 3i01 h ILE 215 N 0.00 0.48 0.00 5.09 6.09 -1.67 -1.72 117.51 125.78 3i01 h ILE 215 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3i01 h ILE 215 Cb 0.15 0.56 0.00 0.00 0.47 0.00 0.00 36.82 38.00 3i01 h ILE 215 CO 0.00 0.00 0.00 0.55 -3.07 0.00 0.00 178.15 175.63 3i01 n VAL 216 N -4.07 0.87 0.61 2.19 3.14 -0.93 -2.05 118.33 118.08 3i01 n VAL 216 Ca 0.15 0.22 0.13 0.00 -2.96 0.00 0.00 64.34 61.88 3i01 n VAL 216 Cb 0.89 -0.99 0.34 0.00 -1.06 0.00 0.00 33.84 33.02 3i01 n VAL 216 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3i01 n HIS 217 N -1.40 0.84 -0.06 1.45 8.25 -0.65 -0.28 115.22 123.39 3i01 n HIS 217 Ca 0.05 0.25 -0.14 0.00 -0.26 0.00 0.00 57.72 57.62 3i01 n HIS 217 Cb 0.13 -0.87 -0.07 0.00 1.12 0.00 0.00 29.99 30.30 3i01 n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i01 h ALA 218 N 2.51 0.25 0.03 -1.41 0.00 -1.63 -3.17 119.26 115.84 3i01 h ALA 218 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3i01 h ALA 218 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i01 h ALA 218 CO 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 3i01 h ALA 219 N 0.59 -0.04 0.00 0.00 0.00 -1.55 0.32 119.26 118.58 3i01 h ALA 219 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 219 Cb 0.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i01 h ALA 219 CO 0.05 -0.49 -0.38 -2.95 0.00 0.00 0.00 179.25 175.48 3i01 h ASN 220 N -0.10 0.00 0.77 0.00 7.08 -0.80 -1.76 115.58 120.77 3i01 h ASN 220 Ca -0.00 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 3i01 h ASN 220 Cb 0.09 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.34 3i01 h ASN 220 CO 0.01 0.38 -0.37 0.22 -2.08 0.00 0.00 177.43 175.59 3i01 h TYR 221 N 0.00 -0.96 -0.76 4.14 5.03 -1.50 -2.86 116.97 120.05 3i01 h TYR 221 Ca -0.00 -0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.44 3i01 h TYR 221 Cb 1.02 0.32 -0.14 0.00 1.55 0.00 0.00 36.73 39.48 3i01 h TYR 221 CO 0.00 -0.60 -0.16 0.00 -1.32 0.00 0.00 178.16 176.08 3i01 h ALA 222 N -1.47 0.54 0.00 1.82 0.00 -0.22 -1.63 119.26 118.31 3i01 h ALA 222 Ca -0.11 0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3i01 h ALA 222 Cb 0.79 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3i01 h ALA 222 CO 0.17 -0.41 -0.18 -0.07 0.00 0.00 0.00 179.25 178.76 3i01 h LEU 223 N 0.01 0.00 -0.85 0.00 3.38 -1.39 -2.46 115.31 114.00 3i01 h LEU 223 Ca 0.37 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.23 3i01 h LEU 223 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3i01 h LEU 223 CO -0.77 0.18 -0.41 0.03 0.09 0.00 0.00 178.44 177.57 3i01 h ARG 224 N 0.00 0.34 -0.98 1.13 3.08 -1.05 -3.15 114.38 113.75 3i01 h ARG 224 Ca -0.00 -0.17 0.19 0.00 0.07 0.00 0.00 59.98 60.07 3i01 h ARG 224 Cb 0.69 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.64 3i01 h ARG 224 CO 0.02 0.70 0.58 0.00 -1.07 0.00 0.00 179.97 180.20 3i01 h ALA 225 N 1.28 1.60 -0.12 0.04 0.00 -1.42 0.15 119.26 120.79 3i01 h ALA 225 Ca 0.03 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3i01 h ALA 225 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i01 h ALA 225 CO 0.07 -0.07 -0.60 0.78 0.00 0.00 0.00 179.25 179.43 3i01 h GLY 226 N 0.73 0.43 1.53 0.00 0.00 -1.70 -2.25 103.07 101.81 3i01 h GLY 226 Ca 0.56 -0.53 -0.24 0.00 0.00 0.00 0.00 47.33 47.12 3i01 h GLY 226 CO -0.39 0.48 -1.01 -0.33 0.00 0.00 0.00 176.54 175.29 3i01 h MET 227 N 0.30 0.41 0.00 4.80 2.07 -1.37 -1.15 114.93 119.99 3i01 h MET 227 Ca -0.00 -0.48 0.00 0.00 -2.07 0.00 0.00 59.70 57.14 3i01 h MET 227 Cb 1.13 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 31.00 3i01 h MET 227 CO 0.10 1.15 0.00 -1.33 1.07 0.00 0.00 176.91 177.90 3i01 n MET 228 N -3.72 0.00 -0.36 1.72 2.81 0.44 -3.43 117.12 114.58 3i01 n MET 228 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3i01 n MET 228 Cb 0.87 -0.13 0.14 0.00 -0.71 0.00 0.00 33.22 33.39 3i01 n MET 228 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 3i01 h PHE 229 N 0.00 1.18 0.00 2.03 0.04 -1.60 -2.80 116.94 115.79 3i01 h PHE 229 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3i01 h PHE 229 Cb 0.00 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 37.76 3i01 h PHE 229 CO 0.00 0.66 -0.02 0.78 -0.60 0.00 0.00 178.31 179.13 3i01 h GLY 230 N 1.20 0.00 -0.34 -1.45 0.00 -1.17 -3.33 103.07 97.98 3i01 h GLY 230 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.58 3i01 h GLY 230 CO -0.14 0.00 -0.13 0.61 0.00 0.00 0.00 176.54 176.88 3i01 n GLY 231 N 0.90 0.88 3.73 4.60 0.00 -0.95 -4.79 105.19 109.56 3i01 n GLY 231 Ca 0.03 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3i01 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 232 N -2.09 3.70 0.18 1.61 1.01 -0.47 -4.93 120.40 119.40 3i01 s VAL 232 Ca 0.00 1.38 -0.32 0.00 0.00 0.00 0.00 61.98 63.05 3i01 s VAL 232 Cb 0.00 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 3i01 s VAL 232 CO 0.00 0.20 1.70 -0.89 0.00 0.00 0.00 175.10 176.11 3i01 s THR 233 N 0.16 2.30 -0.10 3.92 2.01 -1.26 -4.47 115.64 118.20 3i01 s THR 233 Ca 0.54 0.15 -0.36 0.00 0.31 0.00 0.00 61.69 62.32 3i01 s THR 233 Cb -0.32 -3.09 -0.14 0.00 0.01 0.00 0.00 72.50 68.96 3i01 s THR 233 CO 0.35 0.01 1.75 -2.65 -0.69 0.00 0.00 174.62 173.39 3i01 n PRO 234 N 4.36 1.77 0.00 4.92 -0.02 -1.26 -2.14 135.00 142.62 3i01 n PRO 234 Ca 0.16 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3i01 n PRO 234 Cb 0.37 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3i01 n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i01 n GLY 235 N 4.05 0.89 2.86 -1.23 0.00 -0.01 -4.49 105.19 107.26 3i01 n GLY 235 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3i01 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n ALA 236 N -1.75 5.26 -0.06 4.61 0.00 -0.91 -4.62 120.51 123.04 3i01 n ALA 236 Ca 0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 53.44 49.40 3i01 n ALA 236 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 19.45 15.98 3i01 n ALA 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i01 h ARG 237 N 6.16 -0.29 -0.41 0.00 2.43 -1.82 -0.67 114.38 119.78 3i01 h ARG 237 Ca 0.52 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.80 3i01 h ARG 237 Cb 0.67 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.20 3i01 h ARG 237 CO 1.79 -0.19 -0.13 0.93 -1.51 0.00 0.00 179.97 180.85 3i01 h GLU 238 N -0.30 -0.04 -0.01 0.20 4.39 -1.93 -1.06 114.58 115.84 3i01 h GLU 238 Ca 0.14 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 3i01 h GLU 238 Cb 0.52 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3i01 h GLU 238 CO -0.44 -0.03 -0.54 1.49 -1.16 0.00 0.00 179.01 178.33 3i01 h GLU 239 N -0.04 0.02 -0.25 2.33 4.81 -1.82 -0.69 114.58 118.93 3i01 h GLU 239 Ca 0.20 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 3i01 h GLU 239 Cb 0.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3i01 h GLU 239 CO -0.45 0.56 -0.10 1.96 -0.73 0.00 0.00 179.01 180.25 3i01 h GLN 240 N 0.01 0.52 -0.24 1.92 1.08 -0.85 -1.82 115.11 115.73 3i01 h GLN 240 Ca -0.00 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 3i01 h GLN 240 Cb 0.97 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 3i01 h GLN 240 CO 0.07 0.76 0.10 0.00 -0.95 0.00 0.00 178.83 178.82 3i01 h ARG 241 N 0.25 0.35 -0.35 1.46 3.08 -1.01 -2.10 114.38 116.06 3i01 h ARG 241 Ca 0.06 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.12 3i01 h ARG 241 Cb 0.60 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 3i01 h ARG 241 CO 0.03 0.39 -0.25 0.22 -1.07 0.00 0.00 179.97 179.29 3i01 h ASP 242 N 0.24 -0.84 -0.80 7.04 3.58 -1.17 -0.96 116.42 123.51 3i01 h ASP 242 Ca 0.08 0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.73 3i01 h ASP 242 Cb 0.16 0.41 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 3i01 h ASP 242 CO -0.01 -0.28 0.50 0.22 -2.88 0.00 0.00 179.24 176.80 3i01 h TYR 243 N -0.21 0.94 -0.40 0.28 5.03 -1.30 -0.64 116.97 120.67 3i01 h TYR 243 Ca 0.17 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.54 3i01 h TYR 243 Cb 0.48 -0.31 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 3i01 h TYR 243 CO -0.46 0.51 0.19 1.96 -1.32 0.00 0.00 178.16 179.04 3i01 h GLN 244 N 0.96 0.37 0.10 1.82 1.08 -0.64 0.16 115.11 118.96 3i01 h GLN 244 Ca 0.33 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3i01 h GLN 244 Cb 0.07 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3i01 h GLN 244 CO -0.13 0.24 -0.05 -0.09 -0.95 0.00 0.00 178.83 177.85 3i01 h ARG 245 N 0.38 -0.13 0.05 1.46 1.12 -0.89 -1.29 114.38 115.07 3i01 h ARG 245 Ca 0.18 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.05 3i01 h ARG 245 Cb 0.11 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 3i01 h ARG 245 CO -0.14 0.05 -0.02 0.00 -3.11 0.00 0.00 179.97 176.75 3i01 h ARG 246 N -0.29 -0.06 0.00 0.20 3.08 -1.09 -3.40 114.38 112.81 3i01 h ARG 246 Ca -0.01 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.68 3i01 h ARG 246 Cb 0.24 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 3i01 h ARG 246 CO 0.02 0.11 -2.37 0.54 -1.07 0.00 0.00 179.97 177.20 3i01 n ARG 247 N -5.04 0.75 -2.99 0.04 1.74 0.57 -4.80 116.66 106.93 3i01 n ARG 247 Ca -0.08 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.59 3i01 n ARG 247 Cb 0.12 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3i01 n ARG 247 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i01 s ILE 248 N -2.48 4.78 -1.32 0.55 -1.09 -0.49 -4.94 121.20 116.21 3i01 s ILE 248 Ca -0.16 -1.42 -0.13 0.00 -2.23 0.00 0.00 60.65 56.70 3i01 s ILE 248 Cb 0.07 -4.69 0.11 0.00 -1.58 0.00 0.00 42.46 36.36 3i01 s ILE 248 CO 0.74 -1.40 1.85 0.54 -1.23 0.00 0.00 174.94 175.45 3i01 n ARG 249 N 6.40 3.26 -4.25 2.79 1.74 -1.26 -4.65 116.66 120.70 3i01 n ARG 249 Ca 0.14 -3.29 -0.31 0.00 -0.77 0.00 0.00 57.85 53.63 3i01 n ARG 249 Cb 0.47 -3.17 -0.09 0.00 -1.02 0.00 0.00 32.46 28.65 3i01 n ARG 249 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i01 s ALA 250 N 2.24 3.12 0.16 7.54 0.00 -1.26 -0.68 121.76 132.88 3i01 s ALA 250 Ca 0.45 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3i01 s ALA 250 Cb 0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3i01 s ALA 250 CO -0.01 0.66 0.08 -0.59 0.00 0.00 0.00 175.76 175.91 3i01 s PHE 251 N -1.19 1.02 -0.18 0.00 -0.12 -0.69 -4.10 117.98 112.72 3i01 s PHE 251 Ca 0.22 -1.28 -0.05 0.00 -0.05 0.00 0.00 56.93 55.77 3i01 s PHE 251 Cb -0.11 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 3i01 s PHE 251 CO 0.14 -0.55 -0.01 0.08 -0.05 0.00 0.00 175.22 174.83 3i01 s VAL 252 N -4.07 4.04 -0.51 -2.49 1.01 0.06 -1.30 120.40 117.15 3i01 s VAL 252 Ca 0.30 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 3i01 s VAL 252 Cb 0.07 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.73 3i01 s VAL 252 CO 0.06 0.46 0.52 -0.76 0.00 0.00 0.00 175.10 175.39 3i01 s LEU 253 N 0.61 5.47 -0.47 3.92 1.43 0.26 -0.13 118.68 129.78 3i01 s LEU 253 Ca -0.01 -1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 51.65 3i01 s LEU 253 Cb -0.14 -2.28 0.06 0.00 0.03 0.00 0.00 46.19 43.86 3i01 s LEU 253 CO 0.02 -0.81 0.40 -0.47 0.23 0.00 0.00 176.35 175.72 3i01 s TYR 254 N 2.07 3.22 -0.05 0.29 5.04 -0.16 -1.25 117.35 126.51 3i01 s TYR 254 Ca 0.08 -0.83 0.05 0.00 -2.44 0.00 0.00 57.07 53.93 3i01 s TYR 254 Cb -0.24 -3.12 -0.02 0.00 0.35 0.00 0.00 41.96 38.94 3i01 s TYR 254 CO 0.08 -0.79 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.78 3i01 s LEU 255 N 1.75 2.32 0.00 6.97 1.43 -0.18 -2.57 118.68 128.40 3i01 s LEU 255 Ca 0.05 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3i01 s LEU 255 Cb -0.23 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3i01 s LEU 255 CO 0.08 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.55 3i01 n GLY 256 N 2.69 -2.31 3.72 -3.19 0.00 -1.08 -1.08 105.19 103.94 3i01 n GLY 256 Ca -0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3i01 n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i01 n GLU 257 N -0.18 2.31 -3.32 1.61 2.13 -1.26 -4.80 120.64 117.12 3i01 n GLU 257 Ca 0.00 0.81 -0.32 0.00 0.66 0.00 0.00 57.16 58.31 3i01 n GLU 257 Cb 0.00 -2.45 -0.06 0.00 0.27 0.00 0.00 31.44 29.21 3i01 n GLU 257 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 3i01 s HIS 258 N -1.05 3.42 0.12 4.31 3.76 -1.26 -4.97 115.29 119.62 3i01 s HIS 258 Ca 0.55 1.00 0.01 0.00 -0.15 0.00 0.00 55.06 56.47 3i01 s HIS 258 Cb -0.54 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 3i01 s HIS 258 CO 0.62 0.23 -0.04 0.16 -0.85 0.00 0.00 174.74 174.86 3i01 s ASP 259 N -2.28 1.06 0.44 1.40 -4.77 -1.26 -5.06 116.67 106.20 3i01 s ASP 259 Ca 0.49 -1.06 0.10 0.00 -3.30 0.00 0.00 52.55 48.77 3i01 s ASP 259 Cb -0.11 0.12 0.98 0.00 -1.09 0.00 0.00 42.92 42.82 3i01 s ASP 259 CO 0.20 -0.52 2.08 0.00 0.70 0.00 0.00 175.17 177.63 3i01 h MET 260 N 2.90 0.36 0.07 2.11 -0.00 -1.97 -1.33 114.93 117.07 3i01 h MET 260 Ca -0.36 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.70 59.17 3i01 h MET 260 Cb 1.18 -0.08 0.02 0.00 -0.00 0.00 0.00 31.60 32.71 3i01 h MET 260 CO 0.64 0.25 -0.64 0.28 -0.00 0.00 0.00 176.91 177.44 3i01 h VAL 261 N 0.37 1.51 -0.72 -0.10 2.07 -1.88 0.10 116.25 117.60 3i01 h VAL 261 Ca 0.10 -2.33 0.04 0.00 0.82 0.00 0.00 66.70 65.33 3i01 h VAL 261 Cb -0.02 2.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 3i01 h VAL 261 CO -0.02 0.66 0.47 0.11 0.02 0.00 0.00 177.57 178.81 3i01 h LYS 262 N -0.35 0.81 -0.35 1.57 1.57 -1.89 0.10 116.57 118.04 3i01 h LYS 262 Ca -0.10 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 3i01 h LYS 262 Cb 1.44 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 3i01 h LYS 262 CO 0.12 0.53 -0.46 1.15 -0.57 0.00 0.00 179.45 180.23 3i01 h THR 263 N 0.83 1.27 -0.63 -0.16 2.02 -1.12 0.53 112.91 115.64 3i01 h THR 263 Ca 0.29 -1.63 -0.05 0.00 0.77 0.00 0.00 66.41 65.79 3i01 h THR 263 Cb 0.12 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3i01 h THR 263 CO -0.09 0.54 0.18 0.00 0.37 0.00 0.00 175.52 176.53 3i01 h ALA 264 N 0.74 0.83 -0.32 6.16 0.00 -0.48 -1.40 119.26 124.78 3i01 h ALA 264 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3i01 h ALA 264 Cb 1.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i01 h ALA 264 CO 0.11 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 3i01 h ALA 265 N 1.07 0.44 -0.16 0.00 0.00 -0.70 -2.40 119.26 117.50 3i01 h ALA 265 Ca 0.20 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i01 h ALA 265 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i01 h ALA 265 CO -0.00 0.24 0.12 0.00 0.00 0.00 0.00 179.25 179.60 3i01 h ALA 266 N 0.82 2.12 0.00 0.00 0.00 -0.64 0.28 119.26 121.84 3i01 h ALA 266 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i01 h ALA 266 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i01 h ALA 266 CO 0.02 -0.16 0.00 0.74 0.00 0.00 0.00 179.25 179.85 3i01 h PHE 267 N 0.03 0.00 0.00 0.00 0.04 -0.73 -1.71 116.94 114.57 3i01 h PHE 267 Ca 0.08 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.63 3i01 h PHE 267 Cb 0.27 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 3i01 h PHE 267 CO -0.00 0.00 -1.07 0.78 -0.60 0.00 0.00 178.31 177.42 3i01 h GLY 268 N 1.75 0.01 0.83 -1.45 0.00 -0.86 0.33 103.07 103.68 3i01 h GLY 268 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3i01 h GLY 268 CO 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 176.54 176.21 3i01 h ALA 269 N 0.99 -0.98 -0.88 3.60 0.00 -1.27 -2.75 119.26 117.96 3i01 h ALA 269 Ca -0.04 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 54.87 3i01 h ALA 269 Cb 1.80 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 19.84 3i01 h ALA 269 CO 0.13 -0.96 0.33 0.82 0.00 0.00 0.00 179.25 179.57 3i01 h ILE 270 N -1.16 0.41 -0.84 0.00 2.04 -1.23 0.14 117.51 116.88 3i01 h ILE 270 Ca -0.10 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.74 3i01 h ILE 270 Cb 0.77 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3i01 h ILE 270 CO 0.16 0.06 0.54 0.15 0.00 0.00 0.00 178.15 179.06 3i01 h PHE 271 N 0.31 0.87 -0.46 1.37 3.57 -0.89 -1.22 116.94 120.50 3i01 h PHE 271 Ca 0.55 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.08 3i01 h PHE 271 Cb 1.09 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3i01 h PHE 271 CO -0.19 0.41 0.00 -2.37 -2.23 0.00 0.00 178.31 173.94 3i01 n THR 272 N -4.51 0.60 -0.08 4.41 5.66 0.40 -4.92 114.28 115.85 3i01 n THR 272 Ca 0.14 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 3i01 n THR 272 Cb 0.30 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 3i01 n THR 272 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i01 n GLY 273 N 1.33 0.96 3.66 1.09 0.00 -0.46 -3.93 105.19 107.83 3i01 n GLY 273 Ca 0.18 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3i01 n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i01 s PHE 274 N -2.00 3.28 0.41 1.61 0.08 -0.60 -4.80 117.98 115.96 3i01 s PHE 274 Ca 0.00 0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.95 3i01 s PHE 274 Cb 0.00 -2.06 -0.10 0.00 -0.57 0.00 0.00 43.02 40.29 3i01 s PHE 274 CO 0.00 0.22 0.98 -1.25 -0.10 0.00 0.00 175.22 175.07 3i01 s PRO 275 N 0.21 4.23 -0.30 0.24 0.04 -1.26 -2.97 135.00 135.20 3i01 s PRO 275 Ca 0.05 1.28 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 3i01 s PRO 275 Cb -0.12 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 3i01 s PRO 275 CO 0.00 -0.04 0.14 0.08 0.04 0.00 0.00 177.00 177.22 3i01 s VAL 276 N -1.92 4.50 -0.24 -0.36 1.01 0.18 -0.76 120.40 122.81 3i01 s VAL 276 Ca 0.59 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 3i01 s VAL 276 Cb -0.15 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 3i01 s VAL 276 CO 0.19 0.10 -0.00 -0.63 0.00 0.00 0.00 175.10 174.76 3i01 s ILE 277 N 1.60 3.59 0.15 2.22 1.09 0.81 -1.83 121.20 128.83 3i01 s ILE 277 Ca 0.05 -0.53 0.04 0.00 -1.10 0.00 0.00 60.65 59.11 3i01 s ILE 277 Cb -0.17 -2.70 -0.04 0.00 -1.06 0.00 0.00 42.46 38.49 3i01 s ILE 277 CO 0.06 0.32 0.16 0.28 -0.10 0.00 0.00 174.94 175.66 3i01 s THR 278 N 1.49 4.70 -1.81 2.92 -1.32 -0.56 -0.99 115.64 120.08 3i01 s THR 278 Ca 0.05 -0.94 0.09 0.00 -1.21 0.00 0.00 61.69 59.68 3i01 s THR 278 Cb -0.15 -3.39 0.30 0.00 -1.51 0.00 0.00 72.50 67.75 3i01 s THR 278 CO -0.01 -0.07 1.21 -0.90 -2.21 0.00 0.00 174.62 172.64 3i01 n ASP 279 N -0.27 1.92 -4.84 8.08 5.75 -1.06 0.26 116.55 126.39 3i01 n ASP 279 Ca -0.08 -2.06 -0.38 0.00 -0.01 0.00 0.00 54.79 52.26 3i01 n ASP 279 Cb 0.54 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 3i01 n ASP 279 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3i01 s GLN 280 N -1.60 3.88 0.10 0.11 -1.52 -1.26 -4.44 119.66 114.93 3i01 s GLN 280 Ca 0.22 0.35 -0.31 0.00 -1.95 0.00 0.00 55.36 53.67 3i01 s GLN 280 Cb 0.12 -3.22 -0.09 0.00 -0.22 0.00 0.00 33.01 29.60 3i01 s GLN 280 CO 0.14 0.69 1.66 -1.25 -0.25 0.00 0.00 175.29 176.28 3i01 s PRO 281 N -1.04 4.19 -0.05 2.91 0.04 -1.26 -4.53 135.00 135.26 3i01 s PRO 281 Ca 0.23 2.38 0.06 0.00 0.04 0.00 0.00 61.00 63.71 3i01 s PRO 281 Cb -0.16 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 3i01 s PRO 281 CO 0.12 -0.73 -0.23 -0.51 0.04 0.00 0.00 177.00 175.70 3i01 s LEU 282 N 2.37 2.22 0.00 -3.56 1.43 -1.26 -5.10 118.68 114.77 3i01 s LEU 282 Ca 0.74 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.25 3i01 s LEU 282 Cb -0.42 -1.41 0.26 0.00 0.03 0.00 0.00 46.19 44.65 3i01 s LEU 282 CO 0.33 0.28 0.58 -2.65 0.23 0.00 0.00 176.35 175.12 3i01 n PRO 283 N 2.70 -3.75 0.07 1.29 -0.02 -1.26 -4.89 135.00 129.14 3i01 n PRO 283 Ca -0.17 -0.97 -0.01 0.00 -2.02 0.00 0.00 63.50 60.33 3i01 n PRO 283 Cb 0.52 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.65 3i01 n PRO 283 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i01 h GLU 284 N 0.00 0.00 -0.60 -0.52 3.07 -1.99 -3.09 114.58 111.45 3i01 h GLU 284 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 3i01 h GLU 284 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3i01 h GLU 284 CO 0.16 0.50 0.00 -0.40 -1.40 0.00 0.00 179.01 177.87 3i01 n ASP 285 N -3.11 1.51 -0.12 1.42 3.85 -1.26 -3.76 116.55 115.07 3i01 n ASP 285 Ca -0.04 -2.11 0.01 0.00 -0.71 0.00 0.00 54.79 51.93 3i01 n ASP 285 Cb 0.83 -0.36 0.01 0.00 -1.35 0.00 0.00 41.12 40.26 3i01 n ASP 285 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3i01 n LYS 286 N 0.06 0.67 -4.19 0.11 4.76 -1.17 -3.25 118.16 115.14 3i01 n LYS 286 Ca 0.06 -0.99 -0.12 0.00 -2.87 0.00 0.00 58.31 54.39 3i01 n LYS 286 Cb 0.32 -0.68 -0.10 0.00 -1.84 0.00 0.00 35.03 32.73 3i01 n LYS 286 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3i01 s GLN 287 N -0.44 0.90 -0.15 1.97 1.03 -1.24 -4.84 119.66 116.89 3i01 s GLN 287 Ca 0.03 -1.35 -0.02 0.00 0.04 0.00 0.00 55.36 54.05 3i01 s GLN 287 Cb 0.02 -0.36 0.05 0.00 0.03 0.00 0.00 33.01 32.75 3i01 s GLN 287 CO 0.00 0.02 0.02 0.42 -2.54 0.00 0.00 175.29 173.21 3i01 s ILE 288 N -3.42 0.54 0.28 3.63 1.01 -0.15 -4.65 121.20 118.44 3i01 s ILE 288 Ca 0.13 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 3i01 s ILE 288 Cb 0.04 -0.90 -0.14 0.00 0.01 0.00 0.00 42.46 41.47 3i01 s ILE 288 CO -0.03 -0.03 1.19 -2.65 0.00 0.00 0.00 174.94 173.43 3i01 n PRO 289 N 5.06 1.70 0.00 2.79 -0.02 -1.26 -1.49 135.00 141.78 3i01 n PRO 289 Ca -0.09 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3i01 n PRO 289 Cb 0.48 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3i01 n PRO 289 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i01 n ASP 290 N 1.39 0.00 -0.01 2.55 8.00 -1.26 -4.70 116.55 122.52 3i01 n ASP 290 Ca 0.09 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.57 3i01 n ASP 290 Cb 0.32 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 3i01 n ASP 290 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3i01 n TRP 291 N -1.49 0.00 -3.44 1.24 7.02 -0.63 -4.71 117.44 115.44 3i01 n TRP 291 Ca 0.00 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.22 3i01 n TRP 291 Cb 0.00 -0.09 -0.11 0.00 -2.42 0.00 0.00 31.31 28.69 3i01 n TRP 291 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 3i01 s PHE 292 N -2.05 0.43 0.23 -5.99 2.19 -0.56 0.48 117.98 112.71 3i01 s PHE 292 Ca -0.03 -1.39 0.00 0.00 0.33 0.00 0.00 56.93 55.84 3i01 s PHE 292 Cb 0.01 -0.77 -0.04 0.00 -1.31 0.00 0.00 43.02 40.91 3i01 s PHE 292 CO 0.05 -0.87 0.17 -0.59 1.83 0.00 0.00 175.22 175.82 3i01 s PHE 293 N 1.20 1.25 -0.12 10.12 -0.12 -0.76 -0.97 117.98 128.58 3i01 s PHE 293 Ca 0.17 -1.42 -0.12 0.00 -0.05 0.00 0.00 56.93 55.52 3i01 s PHE 293 Cb -0.21 -0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 41.57 3i01 s PHE 293 CO -0.01 -0.70 0.26 0.45 -0.05 0.00 0.00 175.22 175.17 3i01 s SER 294 N -3.20 6.48 -0.37 1.98 0.15 -1.26 -1.49 113.70 115.99 3i01 s SER 294 Ca 0.39 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.61 3i01 s SER 294 Cb 0.06 -2.16 0.13 0.00 -1.71 0.00 0.00 66.02 62.33 3i01 s SER 294 CO 0.15 0.23 0.19 -0.69 1.20 0.00 0.00 173.24 174.32 3i01 s VAL 295 N -0.23 0.71 0.36 4.45 1.01 0.14 -4.91 120.40 121.93 3i01 s VAL 295 Ca 0.17 -1.88 0.08 0.00 0.00 0.00 0.00 61.98 60.36 3i01 s VAL 295 Cb -0.13 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 34.85 3i01 s VAL 295 CO 0.05 -0.88 1.85 -0.33 0.00 0.00 0.00 175.10 175.80 3i01 h GLU 296 N 7.23 0.26 -6.51 2.72 5.08 -1.78 -3.35 114.58 118.23 3i01 h GLU 296 Ca -0.02 -0.08 -0.56 0.00 -1.00 0.00 0.00 59.36 57.70 3i01 h GLU 296 Cb 0.97 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 3i01 h GLU 296 CO 0.40 0.46 1.06 0.34 -1.00 0.00 0.00 179.01 180.26 3i01 s ASP 297 N -6.87 6.30 0.34 1.42 -1.08 -1.26 -4.91 116.67 110.62 3i01 s ASP 297 Ca -0.05 0.49 0.05 0.00 -0.52 0.00 0.00 52.55 52.52 3i01 s ASP 297 Cb 0.15 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.69 3i01 s ASP 297 CO 0.75 -1.53 1.88 1.88 0.52 0.00 0.00 175.17 178.67 3i01 h TYR 298 N 10.56 0.51 0.00 -5.34 -1.99 -2.01 -1.64 116.97 117.06 3i01 h TYR 298 Ca -0.26 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.42 3i01 h TYR 298 Cb 1.09 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.67 3i01 h TYR 298 CO 1.00 0.51 0.00 -0.25 -0.00 0.00 0.00 178.16 179.43 3i01 n ASP 299 N -4.28 0.20 -0.14 3.88 10.43 -1.26 -2.74 116.55 122.63 3i01 n ASP 299 Ca 0.01 0.57 0.03 0.00 2.57 0.00 0.00 54.79 57.97 3i01 n ASP 299 Cb 0.24 -0.61 0.00 0.00 1.84 0.00 0.00 41.12 42.60 3i01 n ASP 299 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i01 n LYS 300 N -1.75 1.83 -0.06 -1.24 5.02 -0.66 -4.79 118.16 116.51 3i01 n LYS 300 Ca 0.01 -0.53 -0.08 0.00 -2.02 0.00 0.00 58.31 55.70 3i01 n LYS 300 Cb 0.10 -0.97 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 3i01 n LYS 300 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i01 h ILE 301 N 0.70 0.85 0.23 -0.18 2.04 -1.26 -1.51 117.51 118.39 3i01 h ILE 301 Ca 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3i01 h ILE 301 Cb 0.19 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3i01 h ILE 301 CO 0.00 0.02 -0.11 0.58 0.00 0.00 0.00 178.15 178.64 3i01 h VAL 302 N 0.11 0.80 -0.48 1.67 2.07 -1.87 -1.70 116.25 116.86 3i01 h VAL 302 Ca 0.12 -0.79 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3i01 h VAL 302 Cb 0.14 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3i01 h VAL 302 CO -0.18 0.16 0.01 -0.61 0.02 0.00 0.00 177.57 176.97 3i01 h GLN 303 N -0.75 0.12 -0.66 1.57 4.15 -1.88 0.50 115.11 118.17 3i01 h GLN 303 Ca -0.03 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 3i01 h GLN 303 Cb 0.50 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 3i01 h GLN 303 CO 0.05 0.08 0.10 0.82 -1.93 0.00 0.00 178.83 177.96 3i01 h ILE 304 N 0.13 1.26 -0.94 2.39 2.04 -1.21 0.93 117.51 122.11 3i01 h ILE 304 Ca 0.24 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3i01 h ILE 304 Cb 0.36 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3i01 h ILE 304 CO -0.39 0.39 0.56 0.00 0.00 0.00 0.00 178.15 178.70 3i01 h ALA 305 N 1.09 1.19 -0.29 1.87 0.00 -0.62 0.47 119.26 122.97 3i01 h ALA 305 Ca 0.20 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 305 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i01 h ALA 305 CO 0.01 0.66 -0.23 0.52 0.00 0.00 0.00 179.25 180.21 3i01 h MET 306 N 1.29 0.67 -0.29 0.00 2.86 -0.56 -0.57 114.93 118.34 3i01 h MET 306 Ca 0.34 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3i01 h MET 306 Cb -0.04 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3i01 h MET 306 CO -0.06 0.93 0.04 0.93 1.06 0.00 0.00 176.91 179.81 3i01 h GLU 307 N 0.42 0.13 -0.51 1.72 5.08 -0.55 0.25 114.58 121.12 3i01 h GLU 307 Ca 0.05 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3i01 h GLU 307 Cb 0.78 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3i01 h GLU 307 CO 0.06 0.09 -0.08 1.15 -1.00 0.00 0.00 179.01 179.23 3i01 h THR 308 N 0.14 1.27 0.00 1.13 2.02 0.05 -2.31 112.91 115.21 3i01 h THR 308 Ca 0.13 -1.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 3i01 h THR 308 Cb 0.15 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3i01 h THR 308 CO -0.19 0.42 -0.47 -0.09 0.37 0.00 0.00 175.52 175.56 3i01 h ARG 309 N 0.81 0.00 -0.30 6.66 9.65 -0.87 -3.47 114.38 126.87 3i01 h ARG 309 Ca 0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3i01 h ARG 309 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 3i01 h ARG 309 CO 0.04 0.47 0.00 0.41 2.80 0.00 0.00 179.97 183.69 3i01 n GLY 310 N -0.08 0.99 3.70 2.80 0.00 0.73 -5.03 105.19 108.29 3i01 n GLY 310 Ca -0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 3i01 n GLY 310 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 311 N -2.30 5.01 -0.15 -0.61 1.01 -0.37 -5.03 121.20 118.77 3i01 s ILE 311 Ca 0.00 1.41 -0.00 0.00 0.00 0.00 0.00 60.65 62.06 3i01 s ILE 311 Cb 0.00 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.47 3i01 s ILE 311 CO 0.00 0.18 -0.07 -1.59 0.00 0.00 0.00 174.94 173.46 3i01 s LYS 312 N 1.29 1.61 0.02 2.79 -2.85 -1.26 -4.46 119.74 116.88 3i01 s LYS 312 Ca 0.36 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 3i01 s LYS 312 Cb -0.17 -1.89 -0.02 0.00 -2.06 0.00 0.00 37.83 33.69 3i01 s LYS 312 CO 0.15 -0.35 -0.03 -0.48 0.10 0.00 0.00 175.35 174.74 3i01 s LEU 313 N 1.63 2.26 -0.40 2.77 0.05 -1.26 -5.08 118.68 118.65 3i01 s LEU 313 Ca 0.03 -0.54 0.07 0.00 0.05 0.00 0.00 54.13 53.74 3i01 s LEU 313 Cb -0.14 0.10 0.24 0.00 -2.05 0.00 0.00 46.19 44.34 3i01 s LEU 313 CO -0.08 -0.32 0.51 0.35 -0.55 0.00 0.00 176.35 176.26 3i01 n THR 314 N 1.49 -0.73 -2.88 5.48 -2.24 -1.26 -5.13 114.28 109.01 3i01 n THR 314 Ca -0.23 -3.82 -0.20 0.00 -2.27 0.00 0.00 64.05 57.53 3i01 n THR 314 Cb 0.55 -1.76 0.02 0.00 -2.10 0.00 0.00 70.33 67.04 3i01 n THR 314 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3i01 s LYS 315 N -0.94 2.75 0.00 -0.78 2.20 -1.26 -4.97 119.74 116.75 3i01 s LYS 315 Ca 0.35 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 3i01 s LYS 315 Cb 0.16 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3i01 s LYS 315 CO -0.13 -0.45 0.00 1.51 -0.36 0.00 0.00 175.35 175.93 3i01 n ILE 316 N -2.09 0.00 -2.69 5.43 0.13 -1.26 -4.89 119.36 113.99 3i01 n ILE 316 Ca 0.06 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.29 3i01 n ILE 316 Cb 0.59 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.36 3i01 n ILE 316 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 3i01 s LYS 317 N 0.00 3.33 -0.01 9.51 -2.85 -1.26 -4.92 119.74 123.54 3i01 s LYS 317 Ca 0.00 -0.85 0.02 0.00 -1.00 0.00 0.00 55.97 54.14 3i01 s LYS 317 Cb 0.00 -4.61 0.00 0.00 -2.06 0.00 0.00 37.83 31.16 3i01 s LYS 317 CO 0.00 -2.02 -0.06 -0.51 0.10 0.00 0.00 175.35 172.86 3i01 s LEU 318 N 4.66 1.85 -0.30 2.77 1.43 -1.26 -4.83 118.68 123.01 3i01 s LEU 318 Ca 0.34 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 3i01 s LEU 318 Cb -0.08 -0.33 0.08 0.00 0.03 0.00 0.00 46.19 45.89 3i01 s LEU 318 CO 0.04 0.04 -0.03 -0.62 0.23 0.00 0.00 176.35 176.01 3i01 s ASP 319 N 0.10 4.56 -0.05 2.29 2.15 -1.26 -5.11 116.67 119.35 3i01 s ASP 319 Ca -0.01 -1.73 0.03 0.00 0.43 0.00 0.00 52.55 51.27 3i01 s ASP 319 Cb -0.05 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 3i01 s ASP 319 CO -0.00 -0.28 -0.14 -0.76 -0.17 0.00 0.00 175.17 173.81 3i01 s LEU 320 N 1.03 1.83 0.64 -1.34 1.43 -1.26 -5.01 118.68 116.00 3i01 s LEU 320 Ca 0.00 -0.31 0.41 0.00 -1.03 0.00 0.00 54.13 53.20 3i01 s LEU 320 Cb -0.19 -0.85 2.21 0.00 0.03 0.00 0.00 46.19 47.38 3i01 s LEU 320 CO -0.07 0.11 2.24 1.55 0.23 0.00 0.00 176.35 180.41 3i01 h PRO 321 N 6.46 0.00 -6.32 1.29 0.13 -1.91 -3.42 132.00 128.22 3i01 h PRO 321 Ca -0.32 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.21 3i01 h PRO 321 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 3i01 h PRO 321 CO 0.48 0.00 -0.65 0.96 -0.23 0.00 0.00 178.00 178.56 3i01 s ILE 322 N -4.09 3.73 0.80 -3.56 -4.36 -1.26 -4.76 121.20 107.69 3i01 s ILE 322 Ca -0.05 -1.45 -0.13 0.00 -0.26 0.00 0.00 60.65 58.77 3i01 s ILE 322 Cb 0.12 -2.89 0.08 0.00 1.25 0.00 0.00 42.46 41.02 3i01 s ILE 322 CO 0.37 -0.13 1.17 0.20 0.24 0.00 0.00 174.94 176.79 3i01 s ASN 323 N -3.02 3.80 -0.20 4.36 0.01 -1.26 -4.87 114.94 113.75 3i01 s ASN 323 Ca 0.28 2.24 -0.10 0.00 -0.71 0.00 0.00 52.86 54.57 3i01 s ASN 323 Cb -0.09 -2.57 0.07 0.00 0.41 0.00 0.00 41.25 39.07 3i01 s ASN 323 CO 0.19 -2.52 0.48 0.12 -1.51 0.00 0.00 177.10 173.86 3i01 s PHE 324 N -2.31 -0.76 0.00 2.20 5.36 -1.26 -1.23 117.98 119.98 3i01 s PHE 324 Ca 0.70 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 58.22 3i01 s PHE 324 Cb -0.26 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 3i01 s PHE 324 CO 0.51 -0.41 0.00 0.41 -1.46 0.00 0.00 175.22 174.26 3i01 n GLY 325 N 4.46 2.70 0.38 13.12 0.00 -0.29 -4.34 105.19 121.21 3i01 n GLY 325 Ca -0.20 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.05 3i01 n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i01 h PRO 326 N 0.00 0.48 -1.17 1.61 0.13 -1.85 -1.30 132.00 129.90 3i01 h PRO 326 Ca 0.00 -0.03 0.33 0.00 -0.87 0.00 0.00 66.00 65.43 3i01 h PRO 326 Cb 0.00 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 30.95 3i01 h PRO 326 CO 0.00 0.32 0.81 0.00 -0.23 0.00 0.00 178.00 178.90 3i01 h ALA 327 N 1.62 2.81 -0.37 -0.56 0.00 -1.82 -2.25 119.26 118.70 3i01 h ALA 327 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3i01 h ALA 327 Cb 0.87 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i01 h ALA 327 CO -0.15 -1.21 0.00 1.19 0.00 0.00 0.00 179.25 179.08 3i01 n PHE 328 N -4.37 0.47 -0.11 0.00 3.01 -0.49 -4.16 117.46 111.82 3i01 n PHE 328 Ca 0.27 -0.25 -0.13 0.00 1.01 0.00 0.00 57.45 58.35 3i01 n PHE 328 Cb 1.16 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.60 3i01 n PHE 328 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3i01 h GLU 329 N 4.35 0.87 -2.93 -1.08 4.81 -1.39 -3.38 114.58 115.83 3i01 h GLU 329 Ca 0.00 -0.46 -0.80 0.00 -0.13 0.00 0.00 59.36 57.97 3i01 h GLU 329 Cb 0.97 0.02 -0.26 0.00 0.63 0.00 0.00 28.75 30.11 3i01 h GLU 329 CO 0.00 1.10 1.05 0.41 -0.73 0.00 0.00 179.01 180.84 3i01 n GLY 330 N 0.15 5.22 3.10 1.92 0.00 -1.26 -4.89 105.19 109.44 3i01 n GLY 330 Ca -0.03 -2.56 -0.09 0.00 0.00 0.00 0.00 46.02 43.35 3i01 n GLY 330 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i01 s GLU 331 N -2.44 0.58 0.03 1.61 -1.05 -1.26 -4.88 118.70 111.30 3i01 s GLU 331 Ca 0.34 -0.83 0.09 0.00 -0.15 0.00 0.00 54.97 54.42 3i01 s GLU 331 Cb 0.08 0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 3i01 s GLU 331 CO 0.06 -0.14 -0.25 -1.54 0.95 0.00 0.00 175.26 174.34 3i01 s SER 332 N -2.23 3.24 -0.62 0.83 1.04 -1.26 -4.97 113.70 109.72 3i01 s SER 332 Ca -0.03 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 55.70 3i01 s SER 332 Cb -0.00 -0.34 0.16 0.00 0.10 0.00 0.00 66.02 65.93 3i01 s SER 332 CO -0.05 0.27 0.56 -0.63 0.98 0.00 0.00 173.24 174.37 3i01 s ILE 333 N -0.79 5.18 0.70 -1.02 1.01 -1.26 -5.06 121.20 119.96 3i01 s ILE 333 Ca 0.12 -1.88 -0.16 0.00 0.00 0.00 0.00 60.65 58.72 3i01 s ILE 333 Cb -0.10 -4.29 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 3i01 s ILE 333 CO 0.02 -0.91 1.01 -2.11 0.00 0.00 0.00 174.94 172.95 3i01 n ARG 334 N 4.76 0.63 -0.19 2.79 1.85 -1.26 -4.66 116.66 120.58 3i01 n ARG 334 Ca -0.04 0.27 0.01 0.00 -1.00 0.00 0.00 57.85 57.08 3i01 n ARG 334 Cb 0.42 -2.25 0.04 0.00 -1.05 0.00 0.00 32.46 29.62 3i01 n ARG 334 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3i01 n LYS 335 N -1.76 -0.09 -0.11 2.89 2.85 -1.26 -1.65 118.16 119.02 3i01 n LYS 335 Ca 0.14 0.77 -0.05 0.00 -1.05 0.00 0.00 58.31 58.11 3i01 n LYS 335 Cb 0.49 -1.14 0.01 0.00 -0.65 0.00 0.00 35.03 33.74 3i01 n LYS 335 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3i01 h GLY 336 N 0.00 0.31 0.14 2.58 0.00 -2.03 -3.08 103.07 100.98 3i01 h GLY 336 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3i01 h GLY 336 CO -0.50 -0.13 -0.43 1.22 0.00 0.00 0.00 176.54 176.70 3i01 n ASP 337 N -5.27 1.11 -4.75 0.19 10.43 -0.66 -4.95 116.55 112.66 3i01 n ASP 337 Ca 0.02 -0.89 -0.41 0.00 2.57 0.00 0.00 54.79 56.08 3i01 n ASP 337 Cb 0.21 0.32 -0.03 0.00 1.84 0.00 0.00 41.12 43.46 3i01 n ASP 337 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i01 s MET 338 N -2.65 4.33 -0.23 -1.24 0.23 -0.97 -0.74 119.30 118.03 3i01 s MET 338 Ca 0.19 2.18 -0.12 0.00 -1.03 0.00 0.00 55.69 56.92 3i01 s MET 338 Cb 0.18 -3.14 -0.17 0.00 -1.53 0.00 0.00 34.83 30.17 3i01 s MET 338 CO 0.60 -0.31 -0.05 0.98 -2.03 0.00 0.00 175.02 174.22 3i01 n TYR 339 N 2.21 0.50 -4.21 3.16 9.36 0.28 -3.95 117.16 124.52 3i01 n TYR 339 Ca 0.05 0.17 -0.13 0.00 3.32 0.00 0.00 57.90 61.31 3i01 n TYR 339 Cb 0.41 -1.06 -0.10 0.00 -0.63 0.00 0.00 39.34 37.97 3i01 n TYR 339 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3i01 s VAL 340 N -2.48 0.95 0.01 2.97 1.01 -1.17 -1.09 120.40 120.60 3i01 s VAL 340 Ca -0.32 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 59.72 3i01 s VAL 340 Cb 0.10 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3i01 s VAL 340 CO 0.59 -0.77 -0.06 -0.70 0.00 0.00 0.00 175.10 174.16 3i01 s GLU 341 N -3.63 0.46 0.08 2.72 2.12 -1.03 -2.08 118.70 117.32 3i01 s GLU 341 Ca 0.13 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.08 3i01 s GLU 341 Cb 0.03 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 34.03 3i01 s GLU 341 CO -0.02 0.09 -0.09 0.00 -0.54 0.00 0.00 175.26 174.70 3i01 s MET 342 N -0.69 0.75 2.64 4.30 0.23 -1.01 -1.81 119.30 123.72 3i01 s MET 342 Ca -0.03 -1.06 0.00 0.00 -1.03 0.00 0.00 55.69 53.57 3i01 s MET 342 Cb -0.05 -0.43 0.00 0.00 -1.53 0.00 0.00 34.83 32.82 3i01 s MET 342 CO 0.00 0.06 0.00 0.41 -2.03 0.00 0.00 175.02 173.46 3i01 n GLY 343 N 0.77 0.90 3.43 3.16 0.00 -1.20 -2.11 105.19 110.13 3i01 n GLY 343 Ca -0.18 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 3i01 n GLY 343 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i01 n GLY 344 N 0.00 -0.42 4.09 -0.02 0.00 -0.50 -2.92 105.19 105.41 3i01 n GLY 344 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i01 n GLY 344 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i01 n ASN 345 N -2.86 0.00 0.11 1.61 3.02 -1.26 -4.71 115.26 111.16 3i01 n ASN 345 Ca -0.08 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.43 3i01 n ASN 345 Cb 0.59 -0.01 0.10 0.00 -0.61 0.00 0.00 39.78 39.85 3i01 n ASN 345 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3i01 h ARG 346 N 0.27 0.11 -3.45 3.52 3.08 -1.91 -3.46 114.38 112.54 3i01 h ARG 346 Ca 0.00 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 3i01 h ARG 346 Cb 0.00 0.02 -0.20 0.00 0.08 0.00 0.00 29.97 29.87 3i01 h ARG 346 CO 0.00 0.76 -0.44 0.95 -1.07 0.00 0.00 179.97 180.17 3i01 s THR 347 N -3.50 0.08 -0.09 2.04 -4.23 -1.15 -4.92 115.64 103.88 3i01 s THR 347 Ca -0.02 -0.70 -0.35 0.00 -1.18 0.00 0.00 61.69 59.44 3i01 s THR 347 Cb 0.12 -0.55 -0.13 0.00 1.34 0.00 0.00 72.50 73.28 3i01 s THR 347 CO 0.79 -0.39 1.81 -2.65 -0.54 0.00 0.00 174.62 173.64 3i01 n PRO 348 N 1.28 1.98 -3.85 3.99 -0.02 -1.26 -3.27 135.00 133.84 3i01 n PRO 348 Ca -0.22 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3i01 n PRO 348 Cb 0.56 -2.53 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 3i01 n PRO 348 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i01 s ALA 349 N 3.52 -0.27 0.03 3.55 0.00 -1.26 -1.92 121.76 125.41 3i01 s ALA 349 Ca 0.92 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 3i01 s ALA 349 Cb -0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3i01 s ALA 349 CO 0.52 -0.10 0.08 -0.59 0.00 0.00 0.00 175.76 175.67 3i01 s PHE 350 N -0.41 0.20 0.05 0.00 -0.12 -0.71 -4.34 117.98 112.65 3i01 s PHE 350 Ca -0.05 -0.48 0.08 0.00 -0.05 0.00 0.00 56.93 56.43 3i01 s PHE 350 Cb -0.03 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 3i01 s PHE 350 CO 0.00 -0.33 -0.24 -1.83 -0.05 0.00 0.00 175.22 172.78 3i01 s GLU 351 N -2.33 1.59 -0.20 1.99 -1.05 -0.63 -1.05 118.70 117.03 3i01 s GLU 351 Ca -0.07 -1.03 -0.13 0.00 -0.15 0.00 0.00 54.97 53.58 3i01 s GLU 351 Cb -0.03 -1.75 0.06 0.00 -0.44 0.00 0.00 34.13 31.97 3i01 s GLU 351 CO -0.03 0.45 0.50 -1.17 0.95 0.00 0.00 175.26 175.95 3i01 s LEU 352 N -1.22 -0.22 -0.22 1.83 2.96 -0.48 -4.56 118.68 116.76 3i01 s LEU 352 Ca 0.10 1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 54.96 3i01 s LEU 352 Cb -0.09 1.68 -0.05 0.00 0.50 0.00 0.00 46.19 48.23 3i01 s LEU 352 CO 0.02 -0.20 0.17 -0.69 -1.32 0.00 0.00 176.35 174.33 3i01 s VAL 353 N 1.11 5.36 -0.01 1.68 1.01 -1.26 -0.98 120.40 127.31 3i01 s VAL 353 Ca -0.07 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.21 3i01 s VAL 353 Cb -0.06 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3i01 s VAL 353 CO -0.10 0.37 -0.22 -0.13 0.00 0.00 0.00 175.10 175.02 3i01 s ARG 354 N 0.84 2.18 -0.17 2.72 0.52 0.55 -4.86 118.95 120.74 3i01 s ARG 354 Ca 0.09 -0.89 -0.18 0.00 -0.52 0.00 0.00 55.73 54.23 3i01 s ARG 354 Cb -0.13 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 3i01 s ARG 354 CO 0.03 0.57 0.49 0.99 0.02 0.00 0.00 175.30 177.39 3i01 s THR 355 N -0.71 5.15 0.26 0.02 2.01 -1.26 -0.29 115.64 120.82 3i01 s THR 355 Ca 0.11 0.93 0.02 0.00 0.31 0.00 0.00 61.69 63.06 3i01 s THR 355 Cb -0.10 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 3i01 s THR 355 CO 0.01 0.25 0.07 0.68 -0.69 0.00 0.00 174.62 174.93 3i01 s VAL 356 N 1.17 0.76 0.65 3.82 -7.23 -1.03 -4.92 120.40 113.62 3i01 s VAL 356 Ca 0.24 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 3i01 s VAL 356 Cb -0.15 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 3i01 s VAL 356 CO 0.10 -0.09 1.05 -0.55 -0.31 0.00 0.00 175.10 175.30 3i01 s SER 357 N -3.33 5.63 0.36 4.85 0.15 -1.26 -4.39 113.70 115.70 3i01 s SER 357 Ca 0.35 1.64 0.16 0.00 0.70 0.00 0.00 55.95 58.80 3i01 s SER 357 Cb 0.08 -2.50 1.09 0.00 -1.71 0.00 0.00 66.02 62.98 3i01 s SER 357 CO 0.12 -1.27 1.68 -0.08 1.20 0.00 0.00 173.24 174.90 3i01 h GLU 358 N -0.31 0.34 0.10 5.44 4.81 -1.95 -2.60 114.58 120.41 3i01 h GLU 358 Ca -0.45 -0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 58.40 3i01 h GLU 358 Cb 1.21 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3i01 h GLU 358 CO 0.58 0.23 -2.06 -1.13 -0.73 0.00 0.00 179.01 175.90 3i01 n SER 359 N -4.93 2.04 0.00 1.04 3.41 -1.26 -4.01 113.62 109.91 3i01 n SER 359 Ca 0.31 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3i01 n SER 359 Cb 0.98 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3i01 n SER 359 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i01 n GLU 360 N -3.43 0.00 -3.83 4.33 2.13 -0.98 -4.40 120.64 114.47 3i01 n GLU 360 Ca -0.33 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.36 3i01 n GLU 360 Cb 1.04 -1.07 -0.13 0.00 0.27 0.00 0.00 31.44 31.55 3i01 n GLU 360 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3i01 s ILE 361 N -1.38 -0.00 -0.15 6.31 2.07 -1.24 -4.87 121.20 121.94 3i01 s ILE 361 Ca 0.00 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3i01 s ILE 361 Cb 0.00 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.43 3i01 s ILE 361 CO 0.00 0.01 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.97 3i01 s THR 362 N 0.13 2.52 -0.16 4.00 2.01 -1.26 -4.98 115.64 117.89 3i01 s THR 362 Ca -0.01 -0.82 -0.33 0.00 0.31 0.00 0.00 61.69 60.84 3i01 s THR 362 Cb -0.01 -2.05 -0.10 0.00 0.01 0.00 0.00 72.50 70.35 3i01 s THR 362 CO -0.00 0.53 2.03 -0.67 -0.69 0.00 0.00 174.62 175.81 3i01 n ASP 363 N 3.99 3.18 0.00 3.53 -0.08 -1.26 -2.36 116.55 123.55 3i01 n ASP 363 Ca -0.19 0.69 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 3i01 n ASP 363 Cb 0.52 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.58 3i01 n ASP 363 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i01 n GLY 364 N 5.15 0.66 3.66 0.27 0.00 0.13 -4.93 105.19 110.13 3i01 n GLY 364 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 3i01 n GLY 364 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i01 s LYS 365 N -0.20 4.19 -0.25 1.61 2.20 -1.00 -4.94 119.74 121.36 3i01 s LYS 365 Ca 0.00 1.58 0.03 0.00 -0.36 0.00 0.00 55.97 57.21 3i01 s LYS 365 Cb 0.00 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3i01 s LYS 365 CO 0.00 -0.76 -0.12 0.42 -0.36 0.00 0.00 175.35 174.53 3i01 s ILE 366 N 3.60 2.13 -0.12 5.43 1.01 -1.26 -1.80 121.20 130.19 3i01 s ILE 366 Ca 0.54 -1.52 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 3i01 s ILE 366 Cb -0.20 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3i01 s ILE 366 CO 0.15 0.05 -0.08 -1.61 0.00 0.00 0.00 174.94 173.44 3i01 s GLU 367 N 1.14 3.31 -0.30 2.79 2.02 -0.66 -5.02 118.70 121.98 3i01 s GLU 367 Ca -0.07 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.25 3i01 s GLU 367 Cb -0.19 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.33 3i01 s GLU 367 CO -0.06 0.35 0.11 0.08 0.02 0.00 0.00 175.26 175.75 3i01 s VAL 368 N 0.04 4.16 -0.17 2.63 1.01 -1.26 -1.36 120.40 125.46 3i01 s VAL 368 Ca -0.02 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 3i01 s VAL 368 Cb -0.14 -3.15 -0.23 0.00 0.00 0.00 0.00 36.38 32.86 3i01 s VAL 368 CO 0.03 0.05 0.49 -0.29 0.00 0.00 0.00 175.10 175.39 3i01 h ILE 369 N 5.82 1.36 -0.50 2.22 2.10 -1.57 -3.48 117.51 123.45 3i01 h ILE 369 Ca -0.31 -2.26 0.00 0.00 1.08 0.00 0.00 64.86 63.36 3i01 h ILE 369 Cb 1.13 2.81 0.00 0.00 -1.09 0.00 0.00 36.82 39.67 3i01 h ILE 369 CO 0.61 0.46 0.00 0.61 -1.08 0.00 0.00 178.15 178.75 3i01 n GLY 370 N 1.52 -1.51 3.76 8.18 0.00 -1.26 -4.83 105.19 111.06 3i01 n GLY 370 Ca -0.21 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 3i01 n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i01 s PRO 371 N 0.00 3.44 0.00 1.61 0.04 -1.26 -4.86 135.00 133.97 3i01 s PRO 371 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3i01 s PRO 371 Cb 0.00 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3i01 s PRO 371 CO 0.00 -0.87 0.00 -3.47 0.04 0.00 0.00 177.00 172.70 3i01 n ASP 372 N -0.78 0.00 0.04 6.66 -0.08 -1.26 -4.84 116.55 116.29 3i01 n ASP 372 Ca 0.09 -0.79 0.14 0.00 -1.51 0.00 0.00 54.79 52.71 3i01 n ASP 372 Cb 0.47 0.00 0.51 0.00 2.34 0.00 0.00 41.12 44.44 3i01 n ASP 372 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i01 n ILE 373 N -1.31 0.25 -0.14 5.18 3.06 -1.26 -3.23 119.36 121.91 3i01 n ILE 373 Ca 0.00 -0.12 0.08 0.00 -2.50 0.00 0.00 62.75 60.21 3i01 n ILE 373 Cb 0.00 -0.51 0.21 0.00 0.54 0.00 0.00 39.64 39.88 3i01 n ILE 373 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 3i01 n ASP 374 N -1.82 3.28 -0.74 9.51 3.85 -1.26 -3.97 116.55 125.40 3i01 n ASP 374 Ca 0.06 -1.96 0.07 0.00 -0.71 0.00 0.00 54.79 52.26 3i01 n ASP 374 Cb 0.38 -0.31 0.14 0.00 -1.35 0.00 0.00 41.12 39.99 3i01 n ASP 374 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i01 n GLN 375 N 1.04 2.10 -4.16 0.11 6.02 -1.20 -5.01 117.38 116.28 3i01 n GLN 375 Ca 0.17 -1.88 -0.17 0.00 -0.01 0.00 0.00 57.00 55.11 3i01 n GLN 375 Cb 0.51 -1.33 -0.12 0.00 1.02 0.00 0.00 30.24 30.32 3i01 n GLN 375 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3i01 s ILE 376 N -1.09 0.96 0.35 5.09 -4.36 -1.25 -4.95 121.20 115.95 3i01 s ILE 376 Ca 0.25 -1.21 -0.25 0.00 -0.26 0.00 0.00 60.65 59.18 3i01 s ILE 376 Cb 0.14 -0.94 -0.10 0.00 1.25 0.00 0.00 42.46 42.81 3i01 s ILE 376 CO 0.20 -0.24 0.95 -2.16 0.24 0.00 0.00 174.94 173.93 3i01 s PRO 377 N -1.64 4.47 0.39 0.37 0.04 -1.26 -4.97 135.00 132.40 3i01 s PRO 377 Ca -0.04 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 3i01 s PRO 377 Cb -0.10 -2.65 -0.11 0.00 0.04 0.00 0.00 34.50 31.68 3i01 s PRO 377 CO 0.02 0.18 1.04 -1.91 0.04 0.00 0.00 177.00 176.36 3i01 n GLU 378 N 0.25 1.44 -3.16 4.56 2.13 -1.26 -3.07 120.64 121.53 3i01 n GLU 378 Ca 0.03 0.51 -0.16 0.00 0.66 0.00 0.00 57.16 58.21 3i01 n GLU 378 Cb 0.51 -2.04 0.05 0.00 0.27 0.00 0.00 31.44 30.23 3i01 n GLU 378 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i01 n GLY 379 N 1.15 -0.06 0.00 8.31 0.00 -0.25 -5.04 105.19 109.29 3i01 n GLY 379 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i01 n GLY 379 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i01 n SER 380 N -1.45 1.96 -4.18 1.61 3.41 -0.67 -4.99 113.62 109.32 3i01 n SER 380 Ca -0.01 -0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 57.65 3i01 n SER 380 Cb 0.55 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 3i01 n SER 380 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i01 s LYS 381 N -1.54 1.00 -0.28 4.33 1.02 -1.26 -2.48 119.74 120.53 3i01 s LYS 381 Ca 0.00 -1.48 -0.21 0.00 0.02 0.00 0.00 55.97 54.30 3i01 s LYS 381 Cb 0.00 0.13 0.08 0.00 -0.52 0.00 0.00 37.83 37.52 3i01 s LYS 381 CO 0.00 -0.25 0.75 -1.17 -0.92 0.00 0.00 175.35 173.77 3i01 s LEU 382 N -3.09 -0.78 0.57 3.17 2.96 -0.75 -4.90 118.68 115.86 3i01 s LEU 382 Ca 0.26 1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 55.36 3i01 s LEU 382 Cb 0.07 2.34 -0.04 0.00 0.50 0.00 0.00 46.19 49.06 3i01 s LEU 382 CO 0.03 -0.23 1.21 -2.16 -1.32 0.00 0.00 176.35 173.88 3i01 s PRO 383 N 0.90 3.10 -0.08 0.98 0.04 -1.26 -4.33 135.00 134.36 3i01 s PRO 383 Ca -0.04 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 3i01 s PRO 383 Cb -0.05 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.53 3i01 s PRO 383 CO -0.09 -1.11 0.15 -1.17 0.04 0.00 0.00 177.00 174.83 3i01 s LEU 384 N -3.91 0.19 -0.13 -3.56 2.96 -0.81 -4.23 118.68 109.20 3i01 s LEU 384 Ca 0.75 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.93 3i01 s LEU 384 Cb -0.30 0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 3i01 s LEU 384 CO 0.33 -0.21 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.31 3i01 s GLY 385 N 1.93 1.80 -0.32 7.98 0.00 0.35 -1.73 107.32 117.33 3i01 s GLY 385 Ca -0.01 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3i01 s GLY 385 CO -0.06 -0.25 0.01 -0.42 0.00 0.00 0.00 173.10 172.39 3i01 s ILE 386 N -0.12 2.22 -0.29 0.90 1.01 -0.21 -1.43 121.20 123.28 3i01 s ILE 386 Ca 0.04 -2.14 -0.07 0.00 0.00 0.00 0.00 60.65 58.48 3i01 s ILE 386 Cb -0.13 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.79 3i01 s ILE 386 CO 0.02 -0.45 0.08 -0.22 0.00 0.00 0.00 174.94 174.37 3i01 s LEU 387 N 0.97 3.75 -0.36 2.97 2.96 0.79 -1.38 118.68 128.38 3i01 s LEU 387 Ca 0.06 -0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 3i01 s LEU 387 Cb -0.19 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.64 3i01 s LEU 387 CO -0.07 -0.16 0.17 -0.69 -1.32 0.00 0.00 176.35 174.28 3i01 s VAL 388 N 1.52 4.35 0.06 1.68 1.01 -0.15 -0.18 120.40 128.68 3i01 s VAL 388 Ca 0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 3i01 s VAL 388 Cb -0.17 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3i01 s VAL 388 CO 0.02 -0.19 0.55 -1.81 0.00 0.00 0.00 175.10 173.68 3i01 s ASP 389 N 1.52 7.03 -0.16 3.32 1.01 0.12 -0.33 116.67 129.18 3i01 s ASP 389 Ca 0.01 1.22 -0.02 0.00 0.71 0.00 0.00 52.55 54.47 3i01 s ASP 389 Cb -0.19 -2.35 0.05 0.00 1.01 0.00 0.00 42.92 41.44 3i01 s ASP 389 CO 0.05 0.26 0.01 -0.63 0.21 0.00 0.00 175.17 175.08 3i01 s ILE 390 N -1.01 0.62 -0.24 0.77 -1.09 0.60 -1.80 121.20 119.05 3i01 s ILE 390 Ca 0.29 -0.41 -0.10 0.00 -2.23 0.00 0.00 60.65 58.20 3i01 s ILE 390 Cb -0.19 -0.97 -0.05 0.00 -1.58 0.00 0.00 42.46 39.68 3i01 s ILE 390 CO 0.18 -0.02 0.14 -0.47 -1.23 0.00 0.00 174.94 173.54 3i01 s TYR 391 N 1.84 3.27 0.11 3.97 5.04 -0.79 -2.47 117.35 128.33 3i01 s TYR 391 Ca 0.01 0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.71 3i01 s TYR 391 Cb -0.15 -2.25 -0.02 0.00 0.35 0.00 0.00 41.96 39.89 3i01 s TYR 391 CO -0.07 0.01 0.15 0.20 -1.34 0.00 0.00 175.55 174.50 3i01 s GLY 392 N 1.09 0.46 -0.08 8.97 0.00 -1.23 -1.37 107.32 115.16 3i01 s GLY 392 Ca 0.07 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.74 3i01 s GLY 392 CO 0.04 -1.02 0.55 -0.09 0.00 0.00 0.00 173.10 172.58 3i01 h ARG 393 N 2.79 0.29 -0.01 2.90 2.43 -1.86 -3.32 114.38 117.61 3i01 h ARG 393 Ca -0.34 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.33 3i01 h ARG 393 Cb 1.20 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3i01 h ARG 393 CO 0.56 1.19 -0.07 1.63 -1.51 0.00 0.00 179.97 181.78 3i01 n LYS 394 N -3.49 1.07 -1.86 0.20 4.76 -1.26 -4.92 118.16 112.66 3i01 n LYS 394 Ca -0.27 -0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 54.33 3i01 n LYS 394 Cb 1.06 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.74 3i01 n LYS 394 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3i01 s MET 395 N -2.23 4.18 0.31 1.97 1.75 -1.25 -4.85 119.30 119.18 3i01 s MET 395 Ca 0.35 2.47 0.06 0.00 -1.25 0.00 0.00 55.69 57.33 3i01 s MET 395 Cb 0.21 -3.08 -0.06 0.00 2.84 0.00 0.00 34.83 34.74 3i01 s MET 395 CO 0.41 -0.59 -0.01 -0.65 -0.65 0.00 0.00 175.02 173.53 3i01 s GLN 396 N 0.06 1.63 0.48 4.11 -0.21 -1.26 -4.92 119.66 119.55 3i01 s GLN 396 Ca 0.65 -1.87 0.27 0.00 0.02 0.00 0.00 55.36 54.43 3i01 s GLN 396 Cb -0.46 -1.12 0.78 0.00 1.00 0.00 0.00 33.01 33.21 3i01 s GLN 396 CO 0.41 -0.05 1.77 0.00 -2.12 0.00 0.00 175.29 175.30 3i01 h ALA 397 N 2.16 0.98 -0.39 6.09 0.00 -2.00 -3.09 119.26 123.02 3i01 h ALA 397 Ca -0.41 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.54 3i01 h ALA 397 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3i01 h ALA 397 CO 0.70 0.05 0.27 -0.44 0.00 0.00 0.00 179.25 179.83 3i01 h ASP 398 N 0.00 0.18 0.62 0.00 3.45 -2.01 -3.28 116.42 115.39 3i01 h ASP 398 Ca -0.00 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.25 3i01 h ASP 398 Cb 0.81 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 39.50 3i01 h ASP 398 CO 0.01 0.12 -1.52 0.49 -1.57 0.00 0.00 179.24 176.76 3i01 n PHE 399 N -4.47 1.00 -0.33 4.55 0.99 -1.17 -4.28 117.46 113.76 3i01 n PHE 399 Ca 0.05 0.34 0.12 0.00 -0.00 0.00 0.00 57.45 57.96 3i01 n PHE 399 Cb 0.31 -1.13 0.29 0.00 -1.00 0.00 0.00 39.48 37.96 3i01 n PHE 399 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3i01 h GLU 400 N 0.00 0.62 -0.39 -1.08 5.08 -1.67 -1.31 114.58 115.83 3i01 h GLU 400 Ca -0.21 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 3i01 h GLU 400 Cb 1.75 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 3i01 h GLU 400 CO 0.06 0.41 -0.27 0.78 -1.00 0.00 0.00 179.01 178.99 3i01 h GLY 401 N 0.64 0.90 1.00 -3.84 0.00 -1.79 -1.99 103.07 98.00 3i01 h GLY 401 Ca 0.55 -0.81 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3i01 h GLY 401 CO -0.41 0.74 -0.48 -2.08 0.00 0.00 0.00 176.54 174.31 3i01 h VAL 402 N 0.71 0.02 0.00 4.60 2.07 -1.55 -2.86 116.25 119.24 3i01 h VAL 402 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3i01 h VAL 402 Cb 0.81 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3i01 h VAL 402 CO 0.07 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.47 3i01 h LEU 403 N -1.33 0.00 -0.89 2.57 3.38 -1.33 -2.13 115.31 115.58 3i01 h LEU 403 Ca -0.13 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3i01 h LEU 403 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3i01 h LEU 403 CO 0.22 0.12 -0.50 -0.08 0.09 0.00 0.00 178.44 178.29 3i01 h GLU 404 N 0.00 0.14 0.00 1.13 4.81 -1.33 -3.25 114.58 116.08 3i01 h GLU 404 Ca -0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3i01 h GLU 404 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3i01 h GLU 404 CO 0.02 0.61 -0.09 0.00 -0.73 0.00 0.00 179.01 178.82 3i01 h ARG 405 N 0.11 0.00 -0.27 1.92 3.08 -1.14 -3.02 114.38 115.06 3i01 h ARG 405 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3i01 h ARG 405 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3i01 h ARG 405 CO 0.07 0.09 -0.37 0.00 -1.07 0.00 0.00 179.97 178.69 3i01 h ARG 406 N 0.00 0.61 -0.70 0.04 2.47 -1.62 -3.27 114.38 111.91 3i01 h ARG 406 Ca -0.00 -0.30 0.20 0.00 -1.26 0.00 0.00 59.98 58.62 3i01 h ARG 406 Cb 0.78 -0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.97 3i01 h ARG 406 CO 0.01 0.89 0.03 -0.89 0.56 0.00 0.00 179.97 180.57 3i01 n ILE 407 N -4.05 -0.29 -0.08 2.04 5.41 -1.14 0.80 119.36 122.05 3i01 n ILE 407 Ca -0.01 1.54 -0.09 0.00 1.00 0.00 0.00 62.75 65.19 3i01 n ILE 407 Cb 0.50 -2.26 -0.03 0.00 -0.71 0.00 0.00 39.64 37.14 3i01 n ILE 407 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 3i01 h HIS 408 N 0.00 -0.96 -0.26 1.39 2.76 -1.77 -1.88 115.15 114.43 3i01 h HIS 408 Ca 0.43 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.62 3i01 h HIS 408 Cb 0.90 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 3i01 h HIS 408 CO -0.35 -0.40 0.03 -0.44 -1.30 0.00 0.00 177.93 175.47 3i01 h ASP 409 N -0.32 0.42 -0.38 3.26 3.45 0.17 -2.50 116.42 120.53 3i01 h ASP 409 Ca 0.14 -0.28 0.08 0.00 0.43 0.00 0.00 57.03 57.40 3i01 h ASP 409 Cb 0.55 -0.11 -0.08 0.00 -0.56 0.00 0.00 39.33 39.13 3i01 h ASP 409 CO -0.48 0.59 -0.13 -0.26 -1.57 0.00 0.00 179.24 177.39 3i01 h PHE 410 N 0.24 -0.30 -0.20 4.55 0.04 -0.85 -2.44 116.94 117.98 3i01 h PHE 410 Ca 0.08 0.04 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 3i01 h PHE 410 Cb 0.36 0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.70 3i01 h PHE 410 CO 0.03 -0.20 -0.63 0.82 -0.60 0.00 0.00 178.31 177.72 3i01 h ILE 411 N -0.05 1.30 0.00 -0.55 2.04 -1.37 -3.19 117.51 115.69 3i01 h ILE 411 Ca 0.18 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.15 3i01 h ILE 411 Cb 0.33 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3i01 h ILE 411 CO -0.41 0.59 -0.17 0.78 0.00 0.00 0.00 178.15 178.93 3i01 h ASN 412 N 0.52 0.00 -0.06 1.72 2.35 -1.15 -2.36 115.58 116.61 3i01 h ASN 412 Ca -0.01 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3i01 h ASN 412 Cb 1.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 3i01 h ASN 412 CO 0.13 0.17 0.22 1.88 -1.65 0.00 0.00 177.43 178.18 3i01 h TYR 413 N 0.00 0.00 -3.26 1.19 0.99 -1.43 -3.20 116.97 111.27 3i01 h TYR 413 Ca -0.00 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.17 3i01 h TYR 413 Cb 0.33 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.02 3i01 h TYR 413 CO 0.00 0.00 0.56 0.20 -0.00 0.00 0.00 178.16 178.92 3i01 s GLY 414 N -3.92 2.39 0.01 3.88 0.00 -0.89 -1.14 107.32 107.65 3i01 s GLY 414 Ca -0.04 0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.81 3i01 s GLY 414 CO 0.38 1.93 1.93 1.85 0.00 0.00 0.00 173.10 179.18 3i01 s GLU 415 N 1.90 4.09 0.00 2.90 2.12 -0.37 -1.31 118.70 128.03 3i01 s GLU 415 Ca 0.50 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.33 3i01 s GLU 415 Cb -0.19 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.05 3i01 s GLU 415 CO 0.20 -1.00 0.00 0.41 -0.54 0.00 0.00 175.26 174.33 3i01 n GLY 416 N 4.54 0.56 3.33 -1.50 0.00 -1.26 -4.71 105.19 106.15 3i01 n GLY 416 Ca 0.20 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3i01 n GLY 416 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i01 s LEU 417 N 0.00 2.33 -0.01 0.99 1.43 -0.43 -1.69 118.68 121.29 3i01 s LEU 417 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3i01 s LEU 417 Cb 0.00 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.78 3i01 s LEU 417 CO 0.00 0.26 -0.00 0.86 0.23 0.00 0.00 176.35 177.70 3i01 s TRP 418 N -0.23 0.18 -0.03 0.29 -0.00 -1.02 -4.52 118.94 113.61 3i01 s TRP 418 Ca -0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 56.10 56.07 3i01 s TRP 418 Cb -0.13 -0.23 0.01 0.00 -0.00 0.00 0.00 33.47 33.12 3i01 s TRP 418 CO 0.03 -0.06 0.11 -1.58 -0.00 0.00 0.00 176.95 175.45 3i01 s HIS 419 N 0.54 -0.09 0.07 5.86 5.65 -1.26 -1.76 115.29 124.31 3i01 s HIS 419 Ca -0.05 0.22 -0.12 0.00 0.25 0.00 0.00 55.06 55.35 3i01 s HIS 419 Cb -0.08 0.02 0.01 0.00 -1.18 0.00 0.00 32.58 31.36 3i01 s HIS 419 CO -0.01 -0.09 0.28 -0.08 -0.65 0.00 0.00 174.74 174.18 3i01 s THR 420 N -0.17 0.10 0.00 0.89 -1.32 0.12 -4.92 115.64 110.33 3i01 s THR 420 Ca -0.02 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 3i01 s THR 420 Cb -0.02 -1.09 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 3i01 s THR 420 CO 0.00 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 3i01 n GLY 421 N 0.26 -1.62 3.76 6.08 0.00 -1.26 -1.71 105.19 110.70 3i01 n GLY 421 Ca -0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 3i01 n GLY 421 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i01 s GLN 422 N 0.00 1.10 4.00 1.61 0.00 -1.18 -4.88 119.66 120.31 3i01 s GLN 422 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 55.36 54.74 3i01 s GLN 422 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 33.01 33.37 3i01 s GLN 422 CO 0.00 -0.50 0.00 0.54 0.00 0.00 0.00 175.29 175.33 3i01 n ARG 423 N -0.51 0.00 -0.30 9.60 1.74 -1.26 -0.31 116.66 125.62 3i01 n ARG 423 Ca -0.06 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.14 3i01 n ARG 423 Cb 0.61 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 32.32 3i01 n ARG 423 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i01 n ASN 424 N 6.00 3.73 -2.40 0.55 2.04 -1.26 -1.60 115.26 122.32 3i01 n ASN 424 Ca 0.00 -1.99 -0.29 0.00 -0.44 0.00 0.00 54.58 51.86 3i01 n ASN 424 Cb 0.00 -0.39 0.02 0.00 -2.53 0.00 0.00 39.78 36.88 3i01 n ASN 424 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3i01 n ILE 425 N 1.54 2.76 -0.32 1.53 -0.00 0.58 -4.62 119.36 120.83 3i01 n ILE 425 Ca 0.22 -4.40 -0.28 0.00 -0.00 0.00 0.00 62.75 58.29 3i01 n ILE 425 Cb 0.61 -1.21 0.27 0.00 -0.00 0.00 0.00 39.64 39.30 3i01 n ILE 425 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3i01 n ASN 426 N -0.61 -3.55 0.00 4.38 5.03 -1.18 -3.08 115.26 116.25 3i01 n ASN 426 Ca 0.46 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 55.24 3i01 n ASN 426 Cb 0.68 -1.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.43 3i01 n ASN 426 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3i01 n TRP 427 N -5.47 0.00 -3.81 3.10 -0.00 -0.69 -1.41 117.44 109.15 3i01 n TRP 427 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.51 3i01 n TRP 427 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.80 3i01 n TRP 427 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3i01 s LEU 428 N 0.00 1.05 -0.10 5.87 1.02 -0.90 -0.70 118.68 124.92 3i01 s LEU 428 Ca 0.00 -0.60 -0.04 0.00 0.02 0.00 0.00 54.13 53.51 3i01 s LEU 428 Cb 0.00 1.30 0.05 0.00 0.02 0.00 0.00 46.19 47.56 3i01 s LEU 428 CO 0.00 -0.80 0.21 -0.13 0.02 0.00 0.00 176.35 175.65 3i01 s ARG 429 N -3.86 0.14 -0.15 1.70 0.52 -0.72 -2.40 118.95 114.17 3i01 s ARG 429 Ca 0.07 0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 55.76 3i01 s ARG 429 Cb 0.04 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 3i01 s ARG 429 CO -0.09 -0.21 0.07 0.08 0.02 0.00 0.00 175.30 175.17 3i01 s VAL 430 N 1.67 4.92 0.41 3.52 1.01 -0.89 -2.42 120.40 128.63 3i01 s VAL 430 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 3i01 s VAL 430 Cb -0.11 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 3i01 s VAL 430 CO -0.08 0.52 0.87 -0.94 0.00 0.00 0.00 175.10 175.47 3i01 s SER 431 N -0.15 6.77 0.28 3.32 1.04 -0.68 0.10 113.70 124.39 3i01 s SER 431 Ca 0.08 1.47 0.25 0.00 0.48 0.00 0.00 55.95 58.23 3i01 s SER 431 Cb -0.12 -2.46 0.99 0.00 0.10 0.00 0.00 66.02 64.54 3i01 s SER 431 CO 0.01 -0.37 1.74 0.07 0.98 0.00 0.00 173.24 175.68 3i01 h LYS 432 N 1.72 0.00 0.09 4.02 2.10 -1.22 -2.50 116.57 120.78 3i01 h LYS 432 Ca -0.48 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 57.91 3i01 h LYS 432 Cb 1.18 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3i01 h LYS 432 CO 0.63 0.00 -1.14 0.22 -2.00 0.00 0.00 179.45 177.16 3i01 h ASP 433 N 0.00 0.56 -0.35 7.07 -0.00 -1.93 -2.61 116.42 119.16 3i01 h ASP 433 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.03 56.51 3i01 h ASP 433 Cb 0.42 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.56 3i01 h ASP 433 CO 0.00 1.36 0.23 0.00 -0.00 0.00 0.00 179.24 180.83 3i01 h ALA 434 N 0.58 0.44 -0.72 -0.78 0.00 -1.74 -2.61 119.26 114.43 3i01 h ALA 434 Ca -0.13 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3i01 h ALA 434 Cb 1.82 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 3i01 h ALA 434 CO 0.20 -0.09 0.45 0.28 0.00 0.00 0.00 179.25 180.09 3i01 h VAL 435 N 0.47 1.10 -0.79 0.00 2.07 -1.54 -1.09 116.25 116.47 3i01 h VAL 435 Ca 0.13 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3i01 h VAL 435 Cb -0.05 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 3i01 h VAL 435 CO -0.03 0.16 0.36 0.00 0.02 0.00 0.00 177.57 178.09 3i01 h ALA 436 N 1.30 1.14 0.00 1.67 0.00 -1.42 -2.68 119.26 119.28 3i01 h ALA 436 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i01 h ALA 436 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3i01 h ALA 436 CO -0.11 0.64 0.00 1.63 0.00 0.00 0.00 179.25 181.41 3i01 n LYS 437 N -4.30 0.16 0.00 0.00 5.02 -0.99 -4.88 118.16 113.17 3i01 n LYS 437 Ca 0.08 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3i01 n LYS 437 Cb 0.15 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 3i01 n LYS 437 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i01 n GLY 438 N 0.62 1.44 3.68 0.72 0.00 -1.01 -4.73 105.19 105.91 3i01 n GLY 438 Ca 0.04 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.51 3i01 n GLY 438 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i01 n PHE 439 N 0.00 1.92 -4.35 1.61 7.35 -0.44 -4.92 117.46 118.63 3i01 n PHE 439 Ca 0.00 0.54 -0.18 0.00 -0.76 0.00 0.00 57.45 57.05 3i01 n PHE 439 Cb 0.00 -2.43 -0.10 0.00 0.35 0.00 0.00 39.48 37.29 3i01 n PHE 439 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3i01 s ARG 440 N 2.71 1.46 0.53 -4.13 3.00 -1.26 -4.50 118.95 116.76 3i01 s ARG 440 Ca 0.94 -1.79 0.31 0.00 0.00 0.00 0.00 55.73 55.19 3i01 s ARG 440 Cb -1.02 -0.43 1.44 0.00 0.00 0.00 0.00 34.95 34.94 3i01 s ARG 440 CO 0.60 -0.25 2.03 0.74 0.00 0.00 0.00 175.30 178.42 3i01 h PHE 441 N 2.33 0.00 -0.16 -0.53 0.05 -1.96 -2.14 116.94 114.53 3i01 h PHE 441 Ca -0.39 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.45 3i01 h PHE 441 Cb 1.24 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.19 3i01 h PHE 441 CO 0.50 0.09 0.20 1.57 -0.18 0.00 0.00 178.31 180.49 3i01 h LYS 442 N 0.00 0.00 -0.09 1.51 2.10 -1.95 -2.32 116.57 115.81 3i01 h LYS 442 Ca -0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 3i01 h LYS 442 Cb 0.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 3i01 h LYS 442 CO 0.01 0.00 -0.68 -0.91 -2.00 0.00 0.00 179.45 175.87 3i01 h ASN 443 N 0.00 0.47 -0.19 7.07 -0.26 -1.81 0.11 115.58 120.97 3i01 h ASN 443 Ca 0.07 -0.29 0.05 0.00 -0.56 0.00 0.00 56.30 55.58 3i01 h ASN 443 Cb 0.48 -0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 37.53 3i01 h ASN 443 CO -0.00 1.01 -0.34 1.88 -1.06 0.00 0.00 177.43 178.93 3i01 h TYR 444 N 0.29 -0.94 -0.16 1.19 0.05 -1.58 -1.53 116.97 114.30 3i01 h TYR 444 Ca -0.02 0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 3i01 h TYR 444 Cb 1.24 0.44 -0.01 0.00 1.01 0.00 0.00 36.73 39.41 3i01 h TYR 444 CO 0.04 -0.41 -0.31 0.78 -1.05 0.00 0.00 178.16 177.21 3i01 h GLY 445 N -0.38 0.33 0.94 3.88 0.00 -1.47 -0.95 103.07 105.41 3i01 h GLY 445 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3i01 h GLY 445 CO -0.40 0.26 -0.00 0.83 0.00 0.00 0.00 176.54 177.22 3i01 h GLU 446 N 0.27 -0.01 -0.50 4.80 5.08 -0.88 -0.27 114.58 123.07 3i01 h GLU 446 Ca 0.04 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3i01 h GLU 446 Cb 0.69 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 3i01 h GLU 446 CO 0.05 0.06 -0.05 0.82 -1.00 0.00 0.00 179.01 178.89 3i01 h ILE 447 N -0.08 0.57 -0.24 3.13 2.04 -0.67 -1.53 117.51 120.73 3i01 h ILE 447 Ca -0.00 -0.02 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 3i01 h ILE 447 Cb 0.07 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3i01 h ILE 447 CO 0.00 0.01 -0.46 -0.07 0.00 0.00 0.00 178.15 177.63 3i01 h LEU 448 N 0.07 0.67 -0.14 1.44 -0.00 -1.05 -1.31 115.31 114.99 3i01 h LEU 448 Ca 0.25 -0.32 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 3i01 h LEU 448 Cb 0.38 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 3i01 h LEU 448 CO -0.45 1.03 0.03 0.58 -0.00 0.00 0.00 178.44 179.63 3i01 h VAL 449 N 0.49 1.20 0.00 1.22 2.07 -0.91 -2.26 116.25 118.06 3i01 h VAL 449 Ca 0.03 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3i01 h VAL 449 Cb 1.00 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3i01 h VAL 449 CO 0.09 0.18 -0.38 0.00 0.02 0.00 0.00 177.57 177.49 3i01 h ALA 450 N 0.83 0.88 0.07 1.67 0.00 -1.12 -3.15 119.26 118.45 3i01 h ALA 450 Ca 0.04 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.31 3i01 h ALA 450 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i01 h ALA 450 CO 0.00 0.47 -1.63 0.87 0.00 0.00 0.00 179.25 178.96 3i01 h LYS 451 N 0.00 0.16 -0.15 0.00 1.79 -1.27 -2.51 116.57 114.58 3i01 h LYS 451 Ca -0.00 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 3i01 h LYS 451 Cb 1.04 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 3i01 h LYS 451 CO 0.05 0.93 0.01 0.52 -1.08 0.00 0.00 179.45 179.88 3i01 h MET 452 N 0.04 0.27 -0.86 3.15 2.86 -1.50 -0.49 114.93 118.41 3i01 h MET 452 Ca -0.27 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.36 3i01 h MET 452 Cb 2.00 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.58 3i01 h MET 452 CO 0.12 0.48 0.56 0.87 1.06 0.00 0.00 176.91 180.00 3i01 h LYS 453 N 0.02 0.89 -0.05 1.72 1.57 -1.69 -2.05 116.57 116.98 3i01 h LYS 453 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3i01 h LYS 453 Cb 0.36 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3i01 h LYS 453 CO 0.01 0.59 -0.03 1.49 -0.57 0.00 0.00 179.45 180.94 3i01 h GLU 454 N 0.92 0.11 -0.20 3.15 4.81 -1.17 -3.15 114.58 119.04 3i01 h GLU 454 Ca 0.38 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.40 3i01 h GLU 454 Cb 0.28 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3i01 h GLU 454 CO -0.15 0.50 -0.55 0.93 -0.73 0.00 0.00 179.01 179.02 3i01 h GLU 455 N -0.29 0.61 -1.94 1.92 4.39 -0.99 -3.38 114.58 114.88 3i01 h GLU 455 Ca 0.01 -0.38 -0.52 0.00 0.34 0.00 0.00 59.36 58.81 3i01 h GLU 455 Cb 0.47 0.04 -0.41 0.00 -0.10 0.00 0.00 28.75 28.76 3i01 h GLU 455 CO 0.01 1.00 -0.96 1.19 -1.16 0.00 0.00 179.01 179.09 3i01 n PHE 456 N -3.96 1.97 -2.77 4.33 3.01 -0.78 -5.05 117.46 114.21 3i01 n PHE 456 Ca -0.03 -3.70 -0.43 0.00 1.01 0.00 0.00 57.45 54.30 3i01 n PHE 456 Cb 0.61 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 39.64 3i01 n PHE 456 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3i01 s PRO 457 N -2.99 3.93 0.00 -1.08 0.04 -1.19 -2.26 135.00 131.45 3i01 s PRO 457 Ca 0.42 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3i01 s PRO 457 Cb 0.34 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 31.11 3i01 s PRO 457 CO -0.10 -0.90 0.00 0.00 0.04 0.00 0.00 177.00 176.04 3i01 n ALA 458 N 6.73 0.00 -0.04 8.56 0.00 -1.26 -4.91 120.51 129.60 3i01 n ALA 458 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 3i01 n ALA 458 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 3i01 n ALA 458 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3i01 n ILE 459 N 0.00 0.48 -3.40 0.00 -5.35 -1.17 -4.15 119.36 105.77 3i01 n ILE 459 Ca 0.00 -0.36 -0.44 0.00 -0.27 0.00 0.00 62.75 61.68 3i01 n ILE 459 Cb 0.00 -0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 37.40 3i01 n ILE 459 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3i01 s VAL 460 N -2.36 5.53 0.15 7.28 1.01 -0.96 -3.48 120.40 127.57 3i01 s VAL 460 Ca -0.04 -3.20 -0.12 0.00 0.00 0.00 0.00 61.98 58.61 3i01 s VAL 460 Cb 0.04 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 32.06 3i01 s VAL 460 CO 0.40 -1.11 1.58 0.44 0.00 0.00 0.00 175.10 176.41 3i01 h ASP 461 N 6.90 0.91 -5.01 3.32 3.32 -1.54 -3.45 116.42 120.86 3i01 h ASP 461 Ca 0.15 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 3i01 h ASP 461 Cb 0.92 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.04 3i01 h ASP 461 CO 0.90 1.03 0.06 0.00 -1.72 0.00 0.00 179.24 179.52 3i01 s ARG 462 N -4.89 1.01 -0.00 3.56 1.70 -0.58 -5.03 118.95 114.71 3i01 s ARG 462 Ca -0.12 -0.05 0.03 0.00 -0.47 0.00 0.00 55.73 55.13 3i01 s ARG 462 Cb 0.12 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.95 3i01 s ARG 462 CO 0.84 -0.34 -0.11 0.08 -1.08 0.00 0.00 175.30 174.69 3i01 s VAL 463 N -1.86 0.86 -0.01 4.99 1.01 -1.26 -1.88 120.40 122.25 3i01 s VAL 463 Ca -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3i01 s VAL 463 Cb -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 3i01 s VAL 463 CO 0.03 0.19 -0.06 0.00 0.00 0.00 0.00 175.10 175.26 3i01 s GLN 464 N -0.41 0.50 -0.09 2.72 -2.07 -0.74 0.22 119.66 119.79 3i01 s GLN 464 Ca 0.03 -0.20 0.03 0.00 -1.82 0.00 0.00 55.36 53.41 3i01 s GLN 464 Cb -0.05 -0.49 0.01 0.00 -1.09 0.00 0.00 33.01 31.39 3i01 s GLN 464 CO -0.00 0.11 -0.19 0.08 -1.32 0.00 0.00 175.29 173.96 3i01 s VAL 465 N -0.06 1.71 -0.20 3.63 1.01 -0.74 0.12 120.40 125.87 3i01 s VAL 465 Ca 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3i01 s VAL 465 Cb -0.03 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3i01 s VAL 465 CO -0.00 0.48 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 3i01 s THR 466 N 0.48 2.68 -0.33 3.92 2.01 0.75 -1.65 115.64 123.49 3i01 s THR 466 Ca -0.17 -0.74 -0.20 0.00 0.31 0.00 0.00 61.69 60.90 3i01 s THR 466 Cb -0.17 -2.18 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 3i01 s THR 466 CO 0.07 0.48 0.60 -0.63 -0.69 0.00 0.00 174.62 174.44 3i01 s ILE 467 N 1.38 4.95 -0.08 1.82 1.09 -0.46 -0.15 121.20 129.74 3i01 s ILE 467 Ca 0.05 0.62 -0.17 0.00 -1.10 0.00 0.00 60.65 60.04 3i01 s ILE 467 Cb -0.14 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.21 3i01 s ILE 467 CO -0.08 -0.22 0.47 -0.36 -0.10 0.00 0.00 174.94 174.65 3i01 s PHE 468 N 2.58 3.58 0.00 3.97 0.40 -0.51 -1.31 117.98 126.69 3i01 s PHE 468 Ca 0.23 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 3i01 s PHE 468 Cb -0.15 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 40.90 3i01 s PHE 468 CO 0.13 0.31 0.13 -2.37 0.70 0.00 0.00 175.22 174.12 3i01 n THR 469 N 3.11 0.02 -4.11 0.64 5.66 -1.26 0.13 114.28 118.47 3i01 n THR 469 Ca -0.09 -0.10 -0.33 0.00 -3.05 0.00 0.00 64.05 60.49 3i01 n THR 469 Cb 0.52 1.74 -0.07 0.00 -1.55 0.00 0.00 70.33 70.96 3i01 n THR 469 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3i01 s ASP 470 N -0.02 5.62 0.17 1.09 3.84 -1.26 -4.37 116.67 121.74 3i01 s ASP 470 Ca 0.00 0.12 -0.16 0.00 -0.00 0.00 0.00 52.55 52.51 3i01 s ASP 470 Cb 0.00 -1.60 0.12 0.00 -1.38 0.00 0.00 42.92 40.07 3i01 s ASP 470 CO 0.00 0.26 1.69 -0.33 -0.00 0.00 0.00 175.17 176.79 3i01 h GLU 471 N 4.04 0.08 -0.14 2.11 4.39 -1.98 -1.78 114.58 121.30 3i01 h GLU 471 Ca -0.49 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3i01 h GLU 471 Cb 1.18 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3i01 h GLU 471 CO 0.62 0.05 -0.02 0.00 -1.16 0.00 0.00 179.01 178.51 3i01 h ALA 472 N 1.38 0.20 -0.51 3.43 0.00 -1.99 -2.54 119.26 119.23 3i01 h ALA 472 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3i01 h ALA 472 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i01 h ALA 472 CO -0.36 -0.08 0.06 0.87 0.00 0.00 0.00 179.25 179.74 3i01 h LYS 473 N -0.02 0.81 0.03 0.00 1.79 -1.96 0.96 116.57 118.18 3i01 h LYS 473 Ca 0.04 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 3i01 h LYS 473 Cb 0.42 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3i01 h LYS 473 CO 0.01 0.78 -0.02 0.28 -1.08 0.00 0.00 179.45 179.42 3i01 h VAL 474 N 0.77 0.96 -0.47 0.50 2.07 -1.32 -1.89 116.25 116.87 3i01 h VAL 474 Ca 0.16 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.58 3i01 h VAL 474 Cb 0.38 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3i01 h VAL 474 CO 0.01 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.63 3i01 h LYS 475 N -0.05 0.88 -0.45 1.57 1.57 -1.36 0.56 116.57 119.30 3i01 h LYS 475 Ca -0.00 -0.33 0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3i01 h LYS 475 Cb 0.04 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 3i01 h LYS 475 CO 0.00 0.97 -0.00 1.49 -0.57 0.00 0.00 179.45 181.34 3i01 h GLU 476 N 0.73 0.11 0.00 3.15 4.81 -0.78 -3.10 114.58 119.49 3i01 h GLU 476 Ca 0.12 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 3i01 h GLU 476 Cb 0.62 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3i01 h GLU 476 CO 0.04 0.07 -0.85 1.88 -0.73 0.00 0.00 179.01 179.42 3i01 h TYR 477 N 0.11 0.00 -0.91 0.92 -1.99 -1.14 -3.17 116.97 110.79 3i01 h TYR 477 Ca 0.22 0.00 0.18 0.00 2.00 0.00 0.00 58.73 61.14 3i01 h TYR 477 Cb 0.33 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.98 3i01 h TYR 477 CO -0.29 0.46 0.59 1.98 -0.00 0.00 0.00 178.16 180.90 3i01 h MET 478 N 0.00 0.54 -0.23 4.88 4.05 0.21 -1.69 114.93 122.69 3i01 h MET 478 Ca -0.06 -0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.15 3i01 h MET 478 Cb 1.40 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 3i01 h MET 478 CO 0.05 0.35 -0.57 1.49 0.23 0.00 0.00 176.91 178.46 3i01 h GLU 479 N 0.55 0.72 -0.16 0.39 4.57 -1.52 0.43 114.58 119.56 3i01 h GLU 479 Ca 0.48 -0.47 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3i01 h GLU 479 Cb 0.98 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 3i01 h GLU 479 CO -0.22 1.09 -0.18 0.28 -1.18 0.00 0.00 179.01 178.80 3i01 h VAL 480 N 0.54 1.21 0.12 0.32 2.07 -1.45 -2.64 116.25 116.42 3i01 h VAL 480 Ca 0.01 -0.94 -0.27 0.00 0.82 0.00 0.00 66.70 66.32 3i01 h VAL 480 Cb 1.15 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3i01 h VAL 480 CO 0.12 0.29 -1.37 0.00 0.02 0.00 0.00 177.57 176.63 3i01 h ALA 481 N 1.58 0.15 0.00 1.67 0.00 -1.27 -3.16 119.26 118.23 3i01 h ALA 481 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3i01 h ALA 481 Cb 0.46 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i01 h ALA 481 CO 0.03 0.79 0.00 -0.09 0.00 0.00 0.00 179.25 179.98 3i01 h ARG 482 N -0.30 0.00 0.00 0.00 2.43 -0.11 0.15 114.38 116.55 3i01 h ARG 482 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3i01 h ARG 482 Cb 1.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3i01 h ARG 482 CO 0.07 0.00 -1.38 0.39 -1.51 0.00 0.00 179.97 177.54 3i01 n GLU 483 N -2.58 0.55 0.06 0.20 4.71 -1.00 -3.93 120.64 118.65 3i01 n GLU 483 Ca -0.01 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.16 57.01 3i01 n GLU 483 Cb 0.11 -1.66 0.01 0.00 -1.01 0.00 0.00 31.44 28.89 3i01 n GLU 483 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3i01 h LYS 484 N 0.00 0.36 0.36 3.49 1.79 -0.77 -3.24 116.57 118.56 3i01 h LYS 484 Ca 0.00 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.12 3i01 h LYS 484 Cb 0.93 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3i01 h LYS 484 CO 0.00 0.99 -0.18 1.88 -1.08 0.00 0.00 179.45 181.06 3i01 h TYR 485 N 0.23 -0.45 -0.00 -1.35 0.99 -1.13 -3.01 116.97 112.25 3i01 h TYR 485 Ca -0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.68 3i01 h TYR 485 Cb 1.39 0.15 0.00 0.00 1.00 0.00 0.00 36.73 39.27 3i01 h TYR 485 CO 0.04 -0.28 0.00 1.63 -0.00 0.00 0.00 178.16 179.55 3i01 n LYS 486 N -3.51 1.01 -0.04 4.88 4.01 -1.25 -0.48 118.16 122.78 3i01 n LYS 486 Ca -0.06 -0.02 -0.13 0.00 -0.51 0.00 0.00 58.31 57.59 3i01 n LYS 486 Cb 0.19 -1.23 -0.01 0.00 -0.51 0.00 0.00 35.03 33.48 3i01 n LYS 486 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3i01 h GLU 487 N 0.03 0.75 0.00 1.97 4.81 -1.57 -3.27 114.58 117.31 3i01 h GLU 487 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3i01 h GLU 487 Cb 0.01 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3i01 h GLU 487 CO 0.00 1.11 -0.65 2.89 -0.73 0.00 0.00 179.01 181.62 3i01 n ARG 488 N -3.98 0.01 0.00 1.92 1.85 0.37 -3.76 116.66 113.06 3i01 n ARG 488 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 3i01 n ARG 488 Cb 0.63 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.54 3i01 n ARG 488 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i01 n ASP 489 N -1.51 2.08 -0.01 2.89 9.92 -0.20 -3.06 116.55 126.66 3i01 n ASP 489 Ca 0.05 -1.54 -0.02 0.00 -0.53 0.00 0.00 54.79 52.75 3i01 n ASP 489 Cb 0.34 -0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 40.42 3i01 n ASP 489 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3i01 n ASP 490 N 0.54 3.99 -1.96 -2.24 10.43 -1.25 -4.03 116.55 122.03 3i01 n ASP 490 Ca 0.00 -0.01 -0.20 0.00 2.57 0.00 0.00 54.79 57.15 3i01 n ASP 490 Cb 0.36 0.13 0.10 0.00 1.84 0.00 0.00 41.12 43.54 3i01 n ASP 490 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i01 n ARG 491 N -2.43 2.02 -1.40 -1.24 3.00 -1.17 -3.77 116.66 111.66 3i01 n ARG 491 Ca -0.04 -2.22 -0.04 0.00 -0.01 0.00 0.00 57.85 55.54 3i01 n ARG 491 Cb 0.56 -1.87 -0.02 0.00 0.00 0.00 0.00 32.46 31.12 3i01 n ARG 491 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3i01 n MET 492 N -0.48 0.26 -0.00 5.56 2.81 -1.21 -4.83 117.12 119.23 3i01 n MET 492 Ca 0.44 -1.34 -0.00 0.00 -1.81 0.00 0.00 57.70 54.99 3i01 n MET 492 Cb 1.04 0.30 -0.00 0.00 -0.71 0.00 0.00 33.22 33.84 3i01 n MET 492 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3i01 n ARG 493 N -0.14 0.02 -1.56 0.03 3.00 -1.25 -4.80 116.66 111.97 3i01 n ARG 493 Ca -0.18 0.01 -0.26 0.00 -0.00 0.00 0.00 57.85 57.41 3i01 n ARG 493 Cb 0.82 -0.37 0.07 0.00 0.00 0.00 0.00 32.46 32.98 3i01 n ARG 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i01 n GLY 494 N 2.19 5.94 3.59 5.14 0.00 -1.26 -4.97 105.19 115.81 3i01 n GLY 494 Ca -0.01 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 3i01 n GLY 494 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i01 s LEU 495 N -3.65 4.14 0.31 0.99 0.20 -1.26 -4.71 118.68 114.71 3i01 s LEU 495 Ca 0.56 0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.80 3i01 s LEU 495 Cb 0.45 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.20 3i01 s LEU 495 CO 0.02 -0.66 0.14 0.42 -0.29 0.00 0.00 176.35 175.97 3i01 s THR 496 N 2.96 0.45 0.48 3.68 -4.23 -1.26 -4.95 115.64 112.77 3i01 s THR 496 Ca 0.30 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.00 3i01 s THR 496 Cb -0.14 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.53 3i01 s THR 496 CO 0.15 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.66 3i01 h ASP 497 N 2.18 0.19 0.18 3.99 5.19 -1.92 -2.87 116.42 123.35 3i01 h ASP 497 Ca -0.35 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 3i01 h ASP 497 Cb 1.25 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3i01 h ASP 497 CO 0.55 0.11 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.36 3i01 h GLU 498 N 0.21 -0.23 -0.37 3.56 3.07 -1.97 -3.24 114.58 115.61 3i01 h GLU 498 Ca 0.26 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3i01 h GLU 498 Cb 0.76 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3i01 h GLU 498 CO -0.05 0.19 0.00 0.25 -1.40 0.00 0.00 179.01 178.00 3i01 n THR 499 N -4.94 0.00 -4.37 1.13 -2.24 -1.16 -4.73 114.28 97.98 3i01 n THR 499 Ca -0.08 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 3i01 n THR 499 Cb 0.26 -0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.13 3i01 n THR 499 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i01 s VAL 500 N -1.55 2.13 -0.10 2.28 0.11 -1.09 -4.76 120.40 117.42 3i01 s VAL 500 Ca 0.00 -1.72 0.02 0.00 -2.93 0.00 0.00 61.98 57.35 3i01 s VAL 500 Cb 0.00 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 3i01 s VAL 500 CO 0.00 0.04 0.13 -0.90 -3.33 0.00 0.00 175.10 171.04 3i01 n ASP 501 N 0.93 0.20 -4.12 3.54 5.75 -1.26 -4.96 116.55 116.63 3i01 n ASP 501 Ca -0.18 -0.60 -0.23 0.00 -0.01 0.00 0.00 54.79 53.77 3i01 n ASP 501 Cb 0.53 0.89 -0.15 0.00 -1.03 0.00 0.00 41.12 41.36 3i01 n ASP 501 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3i01 s THR 502 N -1.05 1.15 0.25 2.12 2.01 -1.26 -2.02 115.64 116.83 3i01 s THR 502 Ca 0.01 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.43 3i01 s THR 502 Cb 0.01 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3i01 s THR 502 CO 0.07 0.31 0.20 -0.36 -0.69 0.00 0.00 174.62 174.14 3i01 s PHE 503 N -0.37 3.13 0.05 4.92 2.99 -0.14 -4.91 117.98 123.65 3i01 s PHE 503 Ca 0.05 -0.10 0.07 0.00 0.00 0.00 0.00 56.93 56.95 3i01 s PHE 503 Cb -0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 43.02 41.51 3i01 s PHE 503 CO -0.00 0.52 -0.15 0.71 -0.00 0.00 0.00 175.22 176.30 3i01 s TYR 504 N -2.10 2.65 0.85 0.36 1.51 -1.14 0.38 117.35 119.86 3i01 s TYR 504 Ca 0.33 -0.20 -0.12 0.00 -1.01 0.00 0.00 57.07 56.07 3i01 s TYR 504 Cb -0.08 -1.47 0.13 0.00 -0.11 0.00 0.00 41.96 40.43 3i01 s TYR 504 CO 0.25 0.32 1.20 -1.54 -1.11 0.00 0.00 175.55 174.67 3i01 s SER 505 N -1.64 3.96 -0.07 2.29 1.04 0.19 -0.95 113.70 118.52 3i01 s SER 505 Ca 0.17 0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.99 3i01 s SER 505 Cb -0.11 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.31 3i01 s SER 505 CO 0.08 -2.20 0.14 0.00 0.98 0.00 0.00 173.24 172.23 3i01 n VAL 507 N 4.81 2.33 -0.02 0.00 0.24 -0.38 -1.90 118.33 123.41 3i01 n VAL 507 Ca -0.15 -2.58 -0.10 0.00 -2.04 0.00 0.00 64.34 59.47 3i01 n VAL 507 Cb 0.51 -0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 3i01 n VAL 507 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3i01 h LEU 508 N 1.01 0.12 0.00 1.34 5.85 -1.90 -2.23 115.31 119.51 3i01 h LEU 508 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i01 h LEU 508 Cb 1.40 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3i01 h LEU 508 CO 0.22 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 3i01 n GLN 510 N -1.34 0.02 0.28 0.00 6.02 -0.84 0.24 117.38 121.76 3i01 n GLN 510 Ca 0.03 0.39 0.12 0.00 -0.01 0.00 0.00 57.00 57.54 3i01 n GLN 510 Cb 0.06 -1.55 0.80 0.00 1.02 0.00 0.00 30.24 30.57 3i01 n GLN 510 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3i01 h SER 511 N 0.00 0.00 0.00 1.08 4.64 -1.70 -3.30 113.55 114.27 3i01 h SER 511 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i01 h SER 511 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3i01 h SER 511 CO 0.00 0.04 -0.58 0.49 -0.87 0.00 0.00 176.83 175.91 3i01 n PHE 512 N -3.99 0.00 -3.63 4.77 3.01 -0.20 -4.86 117.46 112.56 3i01 n PHE 512 Ca -0.03 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.16 3i01 n PHE 512 Cb 0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.49 3i01 n PHE 512 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i01 n ALA 513 N -1.01 3.26 0.28 4.37 0.00 0.14 -2.43 120.51 125.13 3i01 n ALA 513 Ca 0.00 -4.04 0.15 0.00 0.00 0.00 0.00 53.44 49.55 3i01 n ALA 513 Cb 0.08 -0.91 0.72 0.00 0.00 0.00 0.00 19.45 19.33 3i01 n ALA 513 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i01 h PRO 514 N 5.21 0.00 -0.02 0.00 0.11 -1.79 0.21 132.00 135.71 3i01 h PRO 514 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3i01 h PRO 514 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3i01 h PRO 514 CO 0.61 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.49 3i01 n ASN 515 N -3.00 1.96 -4.75 -2.05 3.02 -1.26 -4.85 115.26 104.34 3i01 n ASN 515 Ca 0.00 -1.48 -0.40 0.00 -0.03 0.00 0.00 54.58 52.67 3i01 n ASN 515 Cb 0.51 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 3i01 n ASN 515 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i01 s HIS 516 N -0.95 3.71 -0.03 3.10 2.46 0.74 -4.35 115.29 119.98 3i01 s HIS 516 Ca 0.13 1.73 0.02 0.00 0.47 0.00 0.00 55.06 57.41 3i01 s HIS 516 Cb 0.10 -3.19 0.01 0.00 -0.13 0.00 0.00 32.58 29.37 3i01 s HIS 516 CO 0.14 -0.25 -0.06 0.08 -2.47 0.00 0.00 174.74 172.18 3i01 s VAL 517 N -0.82 0.55 -0.07 0.89 1.01 -1.26 -4.56 120.40 116.14 3i01 s VAL 517 Ca 0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 3i01 s VAL 517 Cb -0.29 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3i01 s VAL 517 CO 0.36 0.19 0.08 0.00 0.00 0.00 0.00 175.10 175.74 3i01 s ILE 519 N -1.05 3.48 -0.15 0.00 -1.09 -1.26 -1.57 121.20 119.56 3i01 s ILE 519 Ca 0.17 -0.46 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 3i01 s ILE 519 Cb -0.12 -2.59 -0.02 0.00 -1.58 0.00 0.00 42.46 38.15 3i01 s ILE 519 CO 0.07 0.42 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.45 3i01 s VAL 520 N 1.45 3.69 0.15 2.92 1.01 -0.12 -4.87 120.40 124.62 3i01 s VAL 520 Ca 0.05 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.71 3i01 s VAL 520 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3i01 s VAL 520 CO -0.02 0.49 -0.24 0.42 0.00 0.00 0.00 175.10 175.75 3i01 s THR 521 N 0.43 2.14 0.46 3.92 -4.23 -0.18 -2.87 115.64 115.30 3i01 s THR 521 Ca -0.05 -1.82 0.37 0.00 -1.18 0.00 0.00 61.69 59.01 3i01 s THR 521 Cb -0.15 -1.94 0.56 0.00 1.34 0.00 0.00 72.50 72.31 3i01 s THR 521 CO 0.03 -0.05 1.49 -2.65 -0.54 0.00 0.00 174.62 172.91 3i01 n PRO 522 N 0.67 -0.02 -0.04 3.99 -0.02 -1.26 0.10 135.00 138.42 3i01 n PRO 522 Ca -0.16 1.14 0.06 0.00 -2.02 0.00 0.00 63.50 62.52 3i01 n PRO 522 Cb 0.54 -2.37 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 3i01 n PRO 522 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i01 n GLU 523 N -4.36 1.11 -3.69 -0.52 1.02 -1.26 -4.84 120.64 108.10 3i01 n GLU 523 Ca 0.40 -1.39 -0.30 0.00 -0.02 0.00 0.00 57.16 55.85 3i01 n GLU 523 Cb 1.64 -1.24 -0.14 0.00 -0.02 0.00 0.00 31.44 31.68 3i01 n GLU 523 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3i01 s ARG 524 N -0.98 0.85 0.77 3.49 3.52 0.12 -4.64 118.95 122.07 3i01 s ARG 524 Ca 0.16 -1.36 -0.12 0.00 -0.13 0.00 0.00 55.73 54.29 3i01 s ARG 524 Cb 0.10 -2.00 0.06 0.00 -1.56 0.00 0.00 34.95 31.56 3i01 s ARG 524 CO 0.15 -1.06 1.11 0.54 -0.81 0.00 0.00 175.30 175.23 3i01 s VAL 525 N 1.21 3.03 0.89 7.11 0.11 -1.25 -1.02 120.40 130.48 3i01 s VAL 525 Ca 0.13 0.38 -0.11 0.00 -2.93 0.00 0.00 61.98 59.45 3i01 s VAL 525 Cb -0.20 -2.80 0.13 0.00 -1.53 0.00 0.00 36.38 31.98 3i01 s VAL 525 CO -0.15 -0.40 1.16 -0.83 -3.33 0.00 0.00 175.10 171.55 3i01 s GLY 526 N -3.00 1.79 0.10 6.54 0.00 0.90 -4.67 107.32 108.97 3i01 s GLY 526 Ca 0.64 0.65 0.27 0.00 0.00 0.00 0.00 44.72 46.28 3i01 s GLY 526 CO 0.52 1.07 1.83 1.47 0.00 0.00 0.00 173.10 177.99 3i01 n LEU 527 N -4.06 0.36 -0.03 0.66 -0.00 -1.26 -2.69 117.00 109.98 3i01 n LEU 527 Ca 0.12 0.54 0.14 0.00 -0.00 0.00 0.00 56.01 56.81 3i01 n LEU 527 Cb 0.52 -0.43 0.53 0.00 -0.00 0.00 0.00 43.42 44.03 3i01 n LEU 527 CO 0.49 -0.12 0.81 0.00 -0.00 0.00 0.00 177.39 178.57 3i01 n GLY 529 N 1.44 2.85 0.08 0.00 0.00 -1.10 -4.71 105.19 103.76 3i01 n GLY 529 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3i01 n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 h ALA 530 N 0.00 0.51 -3.60 4.61 0.00 -1.93 -3.45 119.26 115.40 3i01 h ALA 530 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3i01 h ALA 530 Cb 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.42 3i01 h ALA 530 CO 0.00 0.00 -0.80 0.08 0.00 0.00 0.00 179.25 178.53 3i01 s VAL 531 N -3.26 1.81 0.48 0.00 1.01 -1.26 -5.04 120.40 114.14 3i01 s VAL 531 Ca 0.03 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.81 3i01 s VAL 531 Cb 0.12 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3i01 s VAL 531 CO 0.76 0.06 0.66 -0.94 0.00 0.00 0.00 175.10 175.64 3i01 s SER 532 N 1.29 5.44 0.20 3.32 1.04 -1.26 -0.07 113.70 123.66 3i01 s SER 532 Ca -0.05 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 3i01 s SER 532 Cb -0.18 -0.49 0.14 0.00 0.10 0.00 0.00 66.02 65.60 3i01 s SER 532 CO -0.07 -0.97 1.86 -0.25 0.98 0.00 0.00 173.24 174.79 3i01 h TRP 533 N 0.42 0.83 -0.47 5.02 7.01 -1.87 0.15 115.95 127.04 3i01 h TRP 533 Ca -0.38 0.02 0.04 0.00 2.11 0.00 0.00 58.89 60.68 3i01 h TRP 533 Cb 1.28 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 28.03 3i01 h TRP 533 CO 0.38 0.50 0.24 -0.07 -2.79 0.00 0.00 178.44 176.70 3i01 h LEU 534 N 0.88 0.35 -0.39 0.65 3.38 -1.95 0.12 115.31 118.36 3i01 h LEU 534 Ca 0.26 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.27 3i01 h LEU 534 Cb -0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3i01 h LEU 534 CO -0.07 0.25 0.21 0.44 0.09 0.00 0.00 178.44 179.35 3i01 h ASP 535 N 0.48 0.31 -0.11 -0.43 3.32 -1.86 -1.73 116.42 116.40 3i01 h ASP 535 Ca 0.20 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3i01 h ASP 535 Cb 0.10 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3i01 h ASP 535 CO -0.14 0.23 0.07 0.00 -1.72 0.00 0.00 179.24 177.68 3i01 h ALA 536 N 1.19 0.14 0.28 3.45 0.00 -0.71 -2.29 119.26 121.33 3i01 h ALA 536 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 536 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3i01 h ALA 536 CO -0.10 -0.34 -0.46 -0.22 0.00 0.00 0.00 179.25 178.13 3i01 h LYS 537 N 0.12 -0.77 -0.51 0.00 3.11 -0.56 -1.69 116.57 116.28 3i01 h LYS 537 Ca 0.04 0.05 0.10 0.00 -2.81 0.00 0.00 60.65 58.04 3i01 h LYS 537 Cb 0.03 0.18 -0.10 0.00 -1.00 0.00 0.00 32.23 31.33 3i01 h LYS 537 CO -0.01 -0.51 -0.21 0.00 -2.81 0.00 0.00 179.45 175.91 3i01 h ALA 538 N -0.47 0.17 -0.51 5.00 0.00 -1.30 -0.13 119.26 122.01 3i01 h ALA 538 Ca -0.02 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3i01 h ALA 538 Cb 0.76 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3i01 h ALA 538 CO -0.17 -0.54 0.35 1.03 0.00 0.00 0.00 179.25 179.92 3i01 h SER 539 N -0.10 0.31 -0.03 0.00 0.87 -1.05 0.26 113.55 113.81 3i01 h SER 539 Ca 0.24 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 3i01 h SER 539 Cb 0.47 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3i01 h SER 539 CO -0.57 0.20 -0.12 0.22 -0.53 0.00 0.00 176.83 176.03 3i01 h TYR 540 N 0.35 0.19 -0.27 2.24 3.20 -0.09 -1.49 116.97 121.10 3i01 h TYR 540 Ca 0.23 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3i01 h TYR 540 Cb 0.46 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3i01 h TYR 540 CO -0.00 0.75 -0.11 1.05 -1.64 0.00 0.00 178.16 178.21 3i01 h GLU 541 N -0.43 0.44 0.00 1.82 9.09 -0.85 -1.87 114.58 122.78 3i01 h GLU 541 Ca -0.01 -0.12 -0.15 0.00 0.05 0.00 0.00 59.36 59.13 3i01 h GLU 541 Cb 0.75 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.78 3i01 h GLU 541 CO 0.03 0.56 -0.73 -0.84 0.05 0.00 0.00 179.01 178.07 3i01 h ILE 542 N 0.41 1.48 -1.93 -1.06 3.07 -1.06 -3.43 117.51 114.99 3i01 h ILE 542 Ca 0.08 -2.54 -0.22 0.00 1.55 0.00 0.00 64.86 63.73 3i01 h ILE 542 Cb 0.45 2.39 -0.31 0.00 -0.27 0.00 0.00 36.82 39.08 3i01 h ILE 542 CO 0.03 0.72 -0.55 0.21 -1.05 0.00 0.00 178.15 177.50 3i01 s ASN 543 N -6.76 0.75 0.00 2.16 2.47 -0.56 -4.98 114.94 108.02 3i01 s ASN 543 Ca -0.00 -0.29 0.27 0.00 0.42 0.00 0.00 52.86 53.25 3i01 s ASN 543 Cb 0.11 0.90 1.18 0.00 -1.45 0.00 0.00 41.25 42.00 3i01 s ASN 543 CO 0.78 -0.35 1.87 1.41 -3.72 0.00 0.00 177.10 177.09 3i01 n HIS 544 N 5.34 0.00 1.07 0.43 8.25 -0.77 -2.38 115.22 127.16 3i01 n HIS 544 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 3i01 n HIS 544 Cb 0.49 -0.46 0.10 0.00 1.12 0.00 0.00 29.99 31.24 3i01 n HIS 544 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i01 n ALA 545 N -1.46 3.22 -1.90 -1.41 0.00 -1.26 -5.02 120.51 112.67 3i01 n ALA 545 Ca 0.08 -0.61 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 3i01 n ALA 545 Cb 0.29 -0.87 0.21 0.00 0.00 0.00 0.00 19.45 19.09 3i01 n ALA 545 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i01 s GLY 546 N -2.36 1.81 0.00 0.00 0.00 -1.00 -4.95 107.32 100.82 3i01 s GLY 546 Ca 0.22 -1.32 0.26 0.00 0.00 0.00 0.00 44.72 43.88 3i01 s GLY 546 CO 0.50 -0.48 1.88 -1.55 0.00 0.00 0.00 173.10 173.45 3i01 n PRO 547 N -3.91 0.62 -4.69 2.90 -0.04 -1.26 -4.64 135.00 123.98 3i01 n PRO 547 Ca 0.17 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.32 3i01 n PRO 547 Cb 0.59 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 3i01 n PRO 547 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i01 s ASN 548 N -2.24 4.05 -0.01 3.54 -0.87 -1.26 -1.25 114.94 116.89 3i01 s ASN 548 Ca 0.32 -0.33 0.03 0.00 -1.57 0.00 0.00 52.86 51.32 3i01 s ASN 548 Cb 0.17 -1.62 -0.01 0.00 -0.02 0.00 0.00 41.25 39.77 3i01 s ASN 548 CO 0.33 0.15 -0.10 -1.10 -2.57 0.00 0.00 177.10 173.82 3i01 s GLN 549 N 0.44 0.81 0.08 -0.60 1.11 -1.25 -4.41 119.66 115.85 3i01 s GLN 549 Ca -0.09 -0.35 -0.30 0.00 0.01 0.00 0.00 55.36 54.63 3i01 s GLN 549 Cb -0.16 -0.78 -0.06 0.00 -1.01 0.00 0.00 33.01 31.01 3i01 s GLN 549 CO 0.05 0.20 1.09 -1.25 0.01 0.00 0.00 175.29 175.38 3i01 s PRO 550 N -0.20 4.54 -0.25 2.91 0.04 -1.26 0.56 135.00 141.34 3i01 s PRO 550 Ca 0.03 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 3i01 s PRO 550 Cb -0.04 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 3i01 s PRO 550 CO -0.00 -0.05 0.03 0.42 0.04 0.00 0.00 177.00 177.43 3i01 s ILE 551 N 0.56 3.85 0.08 0.56 1.01 1.22 -4.91 121.20 123.57 3i01 s ILE 551 Ca 0.53 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 60.43 3i01 s ILE 551 Cb -0.26 -2.84 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 3i01 s ILE 551 CO 0.30 0.30 1.54 -2.84 0.00 0.00 0.00 174.94 174.25 3i01 s PRO 552 N 1.53 4.24 -1.08 2.79 0.02 -1.26 -0.96 135.00 140.27 3i01 s PRO 552 Ca 0.05 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.10 3i01 s PRO 552 Cb -0.15 -3.47 0.11 0.00 0.02 0.00 0.00 34.50 31.01 3i01 s PRO 552 CO 0.01 -0.63 1.38 0.21 -0.33 0.00 0.00 177.00 177.63 3i01 s LYS 553 N 2.12 3.79 0.25 5.54 2.20 -0.86 -4.51 119.74 128.28 3i01 s LYS 553 Ca 0.70 -1.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.42 3i01 s LYS 553 Cb -0.38 -5.16 -0.03 0.00 -1.51 0.00 0.00 37.83 30.75 3i01 s LYS 553 CO 0.30 -1.95 0.27 -1.21 -0.36 0.00 0.00 175.35 172.40 3i01 s GLU 554 N 3.18 1.47 -0.75 4.03 2.02 -1.26 -4.95 118.70 122.44 3i01 s GLU 554 Ca 0.42 -1.65 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 3i01 s GLU 554 Cb -0.02 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.56 3i01 s GLU 554 CO -0.04 -0.54 0.48 0.41 0.02 0.00 0.00 175.26 175.58 3i01 n GLY 555 N -0.40 0.12 3.77 -1.39 0.00 -1.26 -3.22 105.19 102.81 3i01 n GLY 555 Ca 0.02 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3i01 n GLY 555 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i01 n GLU 556 N -2.65 2.59 0.00 1.61 2.13 -1.26 0.03 120.64 123.09 3i01 n GLU 556 Ca -0.02 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.70 3i01 n GLU 556 Cb 0.55 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.61 3i01 n GLU 556 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i01 n ILE 557 N 0.34 0.00 -3.15 6.31 5.41 -0.44 -4.90 119.36 122.93 3i01 n ILE 557 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.81 3i01 n ILE 557 Cb 0.39 -0.63 -0.00 0.00 -0.71 0.00 0.00 39.64 38.68 3i01 n ILE 557 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i01 s ASP 558 N -3.33 -1.28 0.07 4.38 -1.08 -1.18 -4.97 116.67 109.27 3i01 s ASP 558 Ca 0.00 0.34 0.21 0.00 -0.52 0.00 0.00 52.55 52.58 3i01 s ASP 558 Cb 0.00 1.89 0.85 0.00 -1.46 0.00 0.00 42.92 44.20 3i01 s ASP 558 CO 0.00 -0.24 1.65 -0.81 0.52 0.00 0.00 175.17 176.29 3i01 n PRO 559 N 5.38 0.06 -0.07 4.34 -0.04 -1.26 -0.76 135.00 142.64 3i01 n PRO 559 Ca 0.03 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.64 3i01 n PRO 559 Cb 0.54 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 3i01 n PRO 559 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i01 h ILE 560 N 0.00 0.22 0.00 0.52 1.08 -1.96 -3.36 117.51 114.01 3i01 h ILE 560 Ca 0.00 -1.26 -0.02 0.00 -0.39 0.00 0.00 64.86 63.20 3i01 h ILE 560 Cb 0.37 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3i01 h ILE 560 CO 0.00 0.07 -0.09 0.11 -0.69 0.00 0.00 178.15 177.56 3i01 h LYS 561 N -1.00 0.00 -2.80 2.37 1.57 -1.91 -3.33 116.57 111.47 3i01 h LYS 561 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3i01 h LYS 561 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.93 3i01 h LYS 561 CO -0.04 0.09 -0.03 0.41 -0.57 0.00 0.00 179.45 179.31 3i01 n GLY 562 N -0.16 0.71 3.43 3.86 0.00 0.06 -1.79 105.19 111.30 3i01 n GLY 562 Ca -0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3i01 n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 563 N -3.01 3.09 0.08 -0.61 1.01 -0.86 -2.15 121.20 118.75 3i01 s ILE 563 Ca 0.01 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3i01 s ILE 563 Cb -0.00 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3i01 s ILE 563 CO 0.03 0.56 -0.13 0.26 0.00 0.00 0.00 174.94 175.66 3i01 s TRP 564 N -0.20 1.18 0.13 3.97 0.51 -1.26 -1.32 118.94 121.94 3i01 s TRP 564 Ca 0.00 -0.52 0.03 0.00 -2.12 0.00 0.00 56.10 53.49 3i01 s TRP 564 Cb -0.13 -0.65 -0.15 0.00 -0.81 0.00 0.00 33.47 31.73 3i01 s TRP 564 CO 0.03 0.05 1.28 -0.22 -0.51 0.00 0.00 176.95 177.59 3i01 h LYS 565 N 4.00 0.14 -0.02 4.98 3.64 -0.41 -2.65 116.57 126.24 3i01 h LYS 565 Ca -0.39 -0.20 -0.16 0.00 -1.27 0.00 0.00 60.65 58.63 3i01 h LYS 565 Cb 1.19 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3i01 h LYS 565 CO 0.45 1.03 -0.72 0.66 -2.27 0.00 0.00 179.45 178.60 3i01 h SER 566 N 0.05 0.15 0.29 4.20 4.64 -1.79 -1.55 113.55 119.54 3i01 h SER 566 Ca -0.05 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3i01 h SER 566 Cb 1.72 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3i01 h SER 566 CO 0.15 0.82 -0.14 0.58 -0.87 0.00 0.00 176.83 177.37 3i01 h VAL 567 N 0.08 0.73 0.00 0.95 2.07 -1.79 -2.39 116.25 115.90 3i01 h VAL 567 Ca -0.02 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3i01 h VAL 567 Cb 1.27 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3i01 h VAL 567 CO 0.10 0.12 -0.01 0.78 0.02 0.00 0.00 177.57 178.59 3i01 h ASN 568 N -0.74 0.00 0.05 0.57 4.21 -1.49 0.66 115.58 118.84 3i01 h ASN 568 Ca -0.04 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 3i01 h ASN 568 Cb 0.49 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 3i01 h ASN 568 CO 0.06 0.01 -0.02 0.44 -1.29 0.00 0.00 177.43 176.63 3i01 h ASP 569 N 0.00 -0.05 0.49 5.81 3.32 -1.30 -1.83 116.42 122.86 3i01 h ASP 569 Ca -0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 3i01 h ASP 569 Cb 0.01 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3i01 h ASP 569 CO 0.00 0.49 -0.45 0.22 -1.72 0.00 0.00 179.24 177.78 3i01 h TYR 570 N -0.62 -1.22 -0.89 4.55 3.20 -1.15 -1.81 116.97 119.02 3i01 h TYR 570 Ca -0.01 0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.16 3i01 h TYR 570 Cb 0.55 0.47 -0.16 0.00 1.54 0.00 0.00 36.73 39.12 3i01 h TYR 570 CO 0.11 -0.62 0.19 -0.11 -1.64 0.00 0.00 178.16 176.09 3i01 n LEU 571 N -5.54 0.05 -0.08 2.82 7.94 0.20 -1.65 117.00 120.74 3i01 n LEU 571 Ca -0.12 1.51 -0.12 0.00 -1.11 0.00 0.00 56.01 56.17 3i01 n LEU 571 Cb 0.43 -0.62 -0.05 0.00 0.53 0.00 0.00 43.42 43.72 3i01 n LEU 571 CO 0.28 -1.58 0.70 0.22 -1.11 0.00 0.00 177.39 175.90 3i01 h TYR 572 N 0.00 0.52 -0.02 1.96 3.20 -0.50 -1.95 116.97 120.17 3i01 h TYR 572 Ca 0.62 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 62.37 3i01 h TYR 572 Cb 1.44 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 3i01 h TYR 572 CO -0.29 0.69 -0.03 1.15 -1.64 0.00 0.00 178.16 178.04 3i01 h THR 573 N 0.19 1.41 0.00 1.81 2.02 -0.75 0.12 112.91 117.71 3i01 h THR 573 Ca 0.06 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.98 3i01 h THR 573 Cb 0.53 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 3i01 h THR 573 CO 0.02 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.25 3i01 n ALA 574 N -2.38 2.26 0.35 6.16 0.00 -0.66 -1.82 120.51 124.43 3i01 n ALA 574 Ca -0.08 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.38 3i01 n ALA 574 Cb 0.29 -1.45 0.25 0.00 0.00 0.00 0.00 19.45 18.53 3i01 n ALA 574 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i01 n SER 575 N -1.72 2.85 -3.23 0.00 3.41 -0.73 -4.75 113.62 109.45 3i01 n SER 575 Ca 0.06 -1.98 -0.23 0.00 -0.26 0.00 0.00 58.87 56.47 3i01 n SER 575 Cb 0.35 -0.33 0.05 0.00 -0.26 0.00 0.00 64.21 64.02 3i01 n SER 575 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i01 n ASN 576 N 1.06 -6.21 -0.18 4.04 3.02 -0.76 -2.40 115.26 113.83 3i01 n ASN 576 Ca 0.18 -0.38 -0.02 0.00 -0.03 0.00 0.00 54.58 54.33 3i01 n ASN 576 Cb 0.46 -4.97 -0.01 0.00 -0.61 0.00 0.00 39.78 34.65 3i01 n ASN 576 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i01 n ARG 577 N -4.38 -0.21 0.00 3.52 1.74 0.03 -4.95 116.66 112.41 3i01 n ARG 577 Ca -0.07 0.51 -0.04 0.00 -0.77 0.00 0.00 57.85 57.48 3i01 n ARG 577 Cb 0.60 -4.06 -0.11 0.00 -1.02 0.00 0.00 32.46 27.87 3i01 n ARG 577 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i01 n ASN 578 N 1.24 0.79 -4.24 0.55 4.13 -1.01 -4.88 115.26 111.85 3i01 n ASN 578 Ca -0.02 0.36 -0.32 0.00 1.68 0.00 0.00 54.58 56.28 3i01 n ASN 578 Cb 0.09 0.16 -0.17 0.00 -1.54 0.00 0.00 39.78 38.32 3i01 n ASN 578 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3i01 s LEU 579 N -5.86 2.08 -0.12 3.41 1.43 -1.26 -5.03 118.68 113.33 3i01 s LEU 579 Ca -0.04 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.31 3i01 s LEU 579 Cb 0.08 -1.39 -0.19 0.00 0.03 0.00 0.00 46.19 44.73 3i01 s LEU 579 CO 0.82 0.20 0.61 -0.33 0.23 0.00 0.00 176.35 177.87 3i01 h GLU 580 N 6.41 -0.01 -2.00 1.70 4.39 -1.89 -3.30 114.58 119.87 3i01 h GLU 580 Ca -0.25 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 3i01 h GLU 580 Cb 1.21 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.66 3i01 h GLU 580 CO 0.47 0.70 0.17 1.14 -1.16 0.00 0.00 179.01 180.33 3i01 s GLN 581 N -2.19 0.97 -0.01 2.33 -2.07 -1.26 -4.73 119.66 112.69 3i01 s GLN 581 Ca -0.14 0.56 0.03 0.00 -1.82 0.00 0.00 55.36 53.99 3i01 s GLN 581 Cb -0.02 0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 32.36 3i01 s GLN 581 CO 0.51 -0.24 -0.11 0.54 -1.32 0.00 0.00 175.29 174.68 3i01 s VAL 582 N -0.55 0.87 -0.23 3.63 0.11 -1.26 -4.78 120.40 118.19 3i01 s VAL 582 Ca -0.06 -0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 58.44 3i01 s VAL 582 Cb -0.02 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3i01 s VAL 582 CO 0.06 0.25 0.12 0.00 -3.33 0.00 0.00 175.10 172.21 3i01 h LEU 584 N 7.56 0.00 -1.23 0.00 3.38 -1.14 -3.34 115.31 120.54 3i01 h LEU 584 Ca -0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3i01 h LEU 584 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3i01 h LEU 584 CO 0.64 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.95 3i01 n TYR 585 N -2.75 0.00 -5.06 1.13 0.53 -0.74 -4.86 117.16 105.40 3i01 n TYR 585 Ca 0.04 -0.09 -0.31 0.00 -1.02 0.00 0.00 57.90 56.52 3i01 n TYR 585 Cb 0.49 -0.01 -0.15 0.00 -1.03 0.00 0.00 39.34 38.65 3i01 n TYR 585 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3i01 s THR 586 N -0.17 2.46 -0.26 -0.72 -1.32 -1.24 -1.52 115.64 112.88 3i01 s THR 586 Ca 0.00 -1.03 0.19 0.00 -1.21 0.00 0.00 61.69 59.64 3i01 s THR 586 Cb 0.00 -1.92 0.11 0.00 -1.51 0.00 0.00 72.50 69.17 3i01 s THR 586 CO 0.00 0.53 1.32 0.25 -2.21 0.00 0.00 174.62 174.51 3i01 h LEU 587 N 5.26 0.00 0.00 9.08 5.85 -1.92 -3.40 115.31 130.18 3i01 h LEU 587 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3i01 h LEU 587 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3i01 h LEU 587 CO 0.48 0.26 -1.86 0.23 -0.34 0.00 0.00 178.44 177.20 3i01 n MET 588 N -3.02 0.58 -4.23 1.25 2.81 -1.26 -1.76 117.12 111.49 3i01 n MET 588 Ca 0.00 -0.17 -0.21 0.00 -1.81 0.00 0.00 57.70 55.51 3i01 n MET 588 Cb 0.65 -1.51 -0.16 0.00 -0.71 0.00 0.00 33.22 31.49 3i01 n MET 588 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i01 s GLU 589 N -3.43 1.00 -0.88 0.03 2.12 -1.26 -4.53 118.70 111.76 3i01 s GLU 589 Ca -0.06 -0.16 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 3i01 s GLU 589 Cb 0.14 -0.97 0.02 0.00 0.26 0.00 0.00 34.13 33.58 3i01 s GLU 589 CO 0.89 -0.07 0.21 0.09 -0.54 0.00 0.00 175.26 175.84 3i01 n ASN 590 N 4.05 -0.95 -4.65 -1.70 3.02 -1.26 -4.12 115.26 109.66 3i01 n ASN 590 Ca -0.24 -0.82 -0.31 0.00 -0.03 0.00 0.00 54.58 53.18 3i01 n ASN 590 Cb 0.51 -1.00 0.18 0.00 -0.61 0.00 0.00 39.78 38.85 3i01 n ASN 590 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i01 s PRO 591 N -6.18 0.73 0.31 3.52 0.04 -1.26 -0.49 135.00 131.67 3i01 s PRO 591 Ca 0.15 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 3i01 s PRO 591 Cb -0.09 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.65 3i01 s PRO 591 CO 0.63 -2.79 1.46 1.41 0.04 0.00 0.00 177.00 177.75 3i01 s MET 592 N -4.62 4.21 0.63 4.56 1.75 -1.26 -4.75 119.30 119.82 3i01 s MET 592 Ca 0.67 2.42 -0.09 0.00 -1.25 0.00 0.00 55.69 57.45 3i01 s MET 592 Cb -0.23 -3.04 0.00 0.00 2.84 0.00 0.00 34.83 34.40 3i01 s MET 592 CO 0.59 -0.46 0.98 0.95 -0.65 0.00 0.00 175.02 176.43 3i01 s THR 593 N -0.50 3.78 0.25 10.11 -4.23 -1.26 -4.69 115.64 119.10 3i01 s THR 593 Ca 0.57 0.29 0.10 0.00 -1.18 0.00 0.00 61.69 61.46 3i01 s THR 593 Cb -0.44 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 3i01 s THR 593 CO 0.51 -0.62 -0.07 -0.44 -0.54 0.00 0.00 174.62 173.46 3i01 s SER 594 N -4.30 4.24 0.00 3.99 0.01 -1.26 -4.93 113.70 111.46 3i01 s SER 594 Ca 0.55 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.09 3i01 s SER 594 Cb -0.11 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.44 3i01 s SER 594 CO 0.49 0.03 0.00 0.00 0.41 0.00 0.00 173.24 174.17 3i01 n GLY 596 N 2.02 0.00 1.20 0.00 0.00 -1.26 -1.55 105.19 105.61 3i01 n GLY 596 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3i01 n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n PHE 598 N 1.53 1.67 -0.09 0.00 1.16 -1.26 -4.47 117.46 116.00 3i01 n PHE 598 Ca 0.21 0.62 -0.12 0.00 -1.87 0.00 0.00 57.45 56.28 3i01 n PHE 598 Cb 0.61 -2.33 0.01 0.00 -1.61 0.00 0.00 39.48 36.16 3i01 n PHE 598 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 3i01 h GLU 599 N 2.76 0.85 -4.28 3.97 5.08 -1.18 -3.44 114.58 118.34 3i01 h GLU 599 Ca -0.43 -0.45 -0.27 0.00 -1.00 0.00 0.00 59.36 57.21 3i01 h GLU 599 Cb 1.32 0.02 -0.25 0.00 0.50 0.00 0.00 28.75 30.34 3i01 h GLU 599 CO 0.65 1.09 -0.73 0.00 -1.00 0.00 0.00 179.01 179.02 3i01 s ALA 600 N -4.34 0.38 -0.17 3.43 0.00 -0.17 -1.42 121.76 119.48 3i01 s ALA 600 Ca -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3i01 s ALA 600 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 3i01 s ALA 600 CO 0.87 0.01 -0.12 0.42 0.00 0.00 0.00 175.76 176.94 3i01 s ILE 601 N -0.73 2.93 -0.05 0.00 1.01 0.11 -0.19 121.20 124.27 3i01 s ILE 601 Ca -0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 3i01 s ILE 601 Cb -0.06 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3i01 s ILE 601 CO -0.00 0.50 0.35 -0.04 0.00 0.00 0.00 174.94 175.74 3i01 s MET 602 N 0.87 3.90 -0.07 2.79 -1.94 0.93 -0.49 119.30 125.29 3i01 s MET 602 Ca -0.03 0.28 -0.05 0.00 -1.71 0.00 0.00 55.69 54.18 3i01 s MET 602 Cb -0.15 -3.25 0.03 0.00 2.01 0.00 0.00 34.83 33.47 3i01 s MET 602 CO -0.00 0.62 0.17 0.00 -0.01 0.00 0.00 175.02 175.80 3i01 s ALA 603 N -0.77 -0.38 0.25 3.03 0.00 -0.29 -0.98 121.76 122.62 3i01 s ALA 603 Ca 0.21 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 3i01 s ALA 603 Cb -0.15 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 3i01 s ALA 603 CO 0.10 -0.13 1.41 -1.50 0.00 0.00 0.00 175.76 175.64 3i01 s ILE 604 N 0.70 2.75 -0.63 0.00 1.10 0.26 -0.82 121.20 124.56 3i01 s ILE 604 Ca -0.05 0.64 0.05 0.00 -0.51 0.00 0.00 60.65 60.77 3i01 s ILE 604 Cb -0.07 -3.41 0.15 0.00 0.15 0.00 0.00 42.46 39.29 3i01 s ILE 604 CO -0.04 0.11 0.40 -0.76 -2.11 0.00 0.00 174.94 172.54 3i01 s LEU 605 N -0.49 4.60 0.43 8.50 1.02 0.26 -4.85 118.68 128.15 3i01 s LEU 605 Ca 0.58 -3.51 0.10 0.00 0.02 0.00 0.00 54.13 51.32 3i01 s LEU 605 Cb -0.41 -1.63 0.96 0.00 0.02 0.00 0.00 46.19 45.13 3i01 s LEU 605 CO 0.44 -0.14 2.05 1.55 0.02 0.00 0.00 176.35 180.26 3i01 h PRO 606 N 5.84 0.44 0.00 1.29 0.13 -1.93 0.68 132.00 138.45 3i01 h PRO 606 Ca 0.05 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3i01 h PRO 606 Cb 0.81 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3i01 h PRO 606 CO 0.70 0.29 -0.02 1.49 -0.23 0.00 0.00 178.00 180.23 3i01 h GLU 607 N 0.45 0.00 -0.31 0.86 4.81 -1.93 -2.56 114.58 115.89 3i01 h GLU 607 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3i01 h GLU 607 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3i01 h GLU 607 CO -0.04 0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.26 3i01 n ASN 609 N 0.84 -5.01 0.00 0.00 5.15 -0.49 -4.42 115.26 111.33 3i01 n ASN 609 Ca 0.13 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 3i01 n ASN 609 Cb 0.44 -4.22 0.00 0.00 -0.53 0.00 0.00 39.78 35.47 3i01 n ASN 609 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i01 n GLY 610 N -0.88 3.30 3.14 8.20 0.00 -0.97 -4.77 105.19 113.20 3i01 n GLY 610 Ca -0.20 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 3i01 n GLY 610 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i01 s ILE 611 N -2.00 1.02 0.19 -0.61 -4.36 -0.97 0.90 121.20 115.36 3i01 s ILE 611 Ca 0.00 -1.07 0.03 0.00 -0.26 0.00 0.00 60.65 59.35 3i01 s ILE 611 Cb 0.00 -0.96 -0.03 0.00 1.25 0.00 0.00 42.46 42.72 3i01 s ILE 611 CO 0.00 -0.10 0.33 0.00 0.24 0.00 0.00 174.94 175.40 3i01 s MET 612 N -1.33 3.45 0.01 0.37 0.23 0.00 -0.89 119.30 121.14 3i01 s MET 612 Ca -0.01 -0.60 0.06 0.00 -1.03 0.00 0.00 55.69 54.12 3i01 s MET 612 Cb -0.08 -2.92 -0.02 0.00 -1.53 0.00 0.00 34.83 30.28 3i01 s MET 612 CO 0.01 0.47 -0.20 0.42 -2.03 0.00 0.00 175.02 173.70 3i01 s ILE 613 N -1.84 1.56 0.22 3.16 1.01 -0.27 -1.14 121.20 123.91 3i01 s ILE 613 Ca 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3i01 s ILE 613 Cb -0.10 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3i01 s ILE 613 CO 0.29 0.33 0.15 0.28 0.00 0.00 0.00 174.94 175.99 3i01 s THR 614 N -0.60 0.06 0.08 2.92 -1.32 0.36 -4.06 115.64 113.07 3i01 s THR 614 Ca 0.07 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.58 3i01 s THR 614 Cb -0.08 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.37 3i01 s THR 614 CO 0.00 0.00 -0.09 0.42 -2.21 0.00 0.00 174.62 172.74 3i01 s THR 615 N -4.02 0.81 0.31 5.08 -4.23 -1.26 0.07 115.64 112.40 3i01 s THR 615 Ca 0.39 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 59.42 3i01 s THR 615 Cb 0.06 -1.22 0.30 0.00 1.34 0.00 0.00 72.50 72.99 3i01 s THR 615 CO 0.14 -0.55 1.79 -0.09 -0.54 0.00 0.00 174.62 175.37 3i01 h ARG 616 N 3.72 0.75 0.00 3.99 2.43 -1.53 -0.51 114.38 123.23 3i01 h ARG 616 Ca -0.37 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3i01 h ARG 616 Cb 1.19 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3i01 h ARG 616 CO 0.51 0.50 -0.00 -0.44 -1.51 0.00 0.00 179.97 179.03 3i01 h ASP 617 N 0.77 0.00 -3.55 -3.80 3.32 -1.95 -3.43 116.42 107.79 3i01 h ASP 617 Ca 0.57 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 57.05 3i01 h ASP 617 Cb 0.87 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.36 3i01 h ASP 617 CO -0.36 0.00 0.95 -2.28 -1.72 0.00 0.00 179.24 175.83 3i01 s HIS 618 N -3.33 2.77 -0.44 4.55 2.46 -0.20 -4.88 115.29 116.22 3i01 s HIS 618 Ca 0.05 0.78 0.23 0.00 0.47 0.00 0.00 55.06 56.59 3i01 s HIS 618 Cb 0.06 -4.29 0.11 0.00 -0.13 0.00 0.00 32.58 28.33 3i01 s HIS 618 CO 0.64 -1.38 1.11 0.00 -2.47 0.00 0.00 174.74 172.64 3i01 n ALA 619 N 7.90 2.85 -1.31 1.58 0.00 -1.26 -4.31 120.51 125.95 3i01 n ALA 619 Ca 0.13 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 3i01 n ALA 619 Cb 0.48 -1.09 0.09 0.00 0.00 0.00 0.00 19.45 18.93 3i01 n ALA 619 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i01 s GLY 620 N -3.99 1.67 0.36 0.00 0.00 -1.26 -4.71 107.32 99.38 3i01 s GLY 620 Ca 0.02 0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.68 3i01 s GLY 620 CO 0.77 0.57 1.52 -0.29 0.00 0.00 0.00 173.10 175.67 3i01 s MET 621 N -4.93 4.11 0.18 2.90 1.75 -1.26 -4.33 119.30 117.72 3i01 s MET 621 Ca 0.61 2.58 0.07 0.00 -1.25 0.00 0.00 55.69 57.70 3i01 s MET 621 Cb -0.17 -2.98 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 3i01 s MET 621 CO 0.56 -0.56 0.03 0.95 -0.65 0.00 0.00 175.02 175.34 3i01 s THR 622 N -0.84 3.84 -0.65 10.11 -4.23 -1.14 -4.75 115.64 117.99 3i01 s THR 622 Ca 0.55 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3i01 s THR 622 Cb -0.47 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.42 3i01 s THR 622 CO 0.59 -0.13 0.78 -0.81 -0.54 0.00 0.00 174.62 174.51 3i01 n PRO 623 N -0.23 0.00 0.00 3.99 -0.04 -0.12 0.60 135.00 139.20 3i01 n PRO 623 Ca -0.09 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 3i01 n PRO 623 Cb 0.55 -1.68 0.52 0.00 -0.04 0.00 0.00 33.50 32.85 3i01 n PRO 623 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i01 n SER 624 N -1.28 0.00 -0.04 3.54 3.41 -1.26 -4.33 113.62 113.66 3i01 n SER 624 Ca 0.00 0.35 -0.01 0.00 -0.26 0.00 0.00 58.87 58.96 3i01 n SER 624 Cb 0.18 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3i01 n SER 624 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i01 n GLY 625 N 0.83 0.44 3.09 5.00 0.00 0.20 -5.05 105.19 109.70 3i01 n GLY 625 Ca 0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 3i01 n GLY 625 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i01 s MET 626 N -1.71 0.25 1.01 1.61 -1.94 -1.24 -4.92 119.30 112.35 3i01 s MET 626 Ca 0.00 0.26 -0.14 0.00 -1.71 0.00 0.00 55.69 54.10 3i01 s MET 626 Cb 0.00 0.12 0.19 0.00 2.01 0.00 0.00 34.83 37.15 3i01 s MET 626 CO 0.00 -0.03 1.13 0.95 -0.01 0.00 0.00 175.02 177.05 3i01 s THR 627 N 0.05 1.93 0.27 2.05 -4.23 -1.26 -2.90 115.64 111.54 3i01 s THR 627 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 3i01 s THR 627 Cb -0.02 -2.62 0.33 0.00 1.34 0.00 0.00 72.50 71.54 3i01 s THR 627 CO 0.00 0.00 1.61 0.15 -0.54 0.00 0.00 174.62 175.85 3i01 h PHE 628 N -1.87 -0.01 -0.07 3.99 3.57 -1.75 -1.25 116.94 119.54 3i01 h PHE 628 Ca -0.51 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 3i01 h PHE 628 Cb 1.32 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 3i01 h PHE 628 CO -0.25 -0.30 0.01 0.77 -2.23 0.00 0.00 178.31 176.32 3i01 h SER 629 N 0.09 0.10 -0.17 0.41 0.02 -1.92 0.80 113.55 112.88 3i01 h SER 629 Ca 0.49 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 3i01 h SER 629 Cb 0.93 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 3i01 h SER 629 CO -0.76 0.32 -0.15 0.74 -1.14 0.00 0.00 176.83 175.83 3i01 h THR 630 N -0.11 1.25 -0.04 -2.27 2.02 -1.85 -0.34 112.91 111.57 3i01 h THR 630 Ca 0.02 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 3i01 h THR 630 Cb 0.25 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3i01 h THR 630 CO 0.00 0.37 -0.00 0.25 0.37 0.00 0.00 175.52 176.51 3i01 h LEU 631 N 0.52 0.07 -0.90 2.58 7.12 -0.92 -3.08 115.31 120.69 3i01 h LEU 631 Ca 0.09 -0.34 0.16 0.00 0.13 0.00 0.00 57.88 57.92 3i01 h LEU 631 Cb 0.57 -0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 40.58 3i01 h LEU 631 CO 0.04 0.40 0.49 0.00 -0.13 0.00 0.00 178.44 179.23 3i01 h ALA 632 N 0.67 1.41 0.00 1.25 0.00 0.10 -0.82 119.26 121.88 3i01 h ALA 632 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i01 h ALA 632 Cb 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i01 h ALA 632 CO 0.00 -0.09 -0.15 0.78 0.00 0.00 0.00 179.25 179.80 3i01 h GLY 633 N 0.66 0.00 0.96 0.00 0.00 -1.03 -1.98 103.07 101.67 3i01 h GLY 633 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.51 3i01 h GLY 633 CO -0.38 0.00 -1.55 1.98 0.00 0.00 0.00 176.54 176.59 3i01 h MET 634 N 0.00 0.42 0.00 4.80 -1.53 -1.08 -3.38 114.93 114.16 3i01 h MET 634 Ca -0.00 -0.71 -0.01 0.00 -3.44 0.00 0.00 59.70 55.54 3i01 h MET 634 Cb 0.42 0.27 -0.00 0.00 -0.55 0.00 0.00 31.60 31.73 3i01 h MET 634 CO 0.02 1.34 -1.18 0.44 0.14 0.00 0.00 176.91 177.67 3i01 n ILE 635 N -3.72 0.56 -2.18 1.77 -5.35 -0.93 -4.89 119.36 104.63 3i01 n ILE 635 Ca -0.22 -0.55 -0.27 0.00 -0.27 0.00 0.00 62.75 61.45 3i01 n ILE 635 Cb 1.04 -0.31 0.11 0.00 -1.74 0.00 0.00 39.64 38.74 3i01 n ILE 635 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i01 s GLY 636 N -4.42 1.72 -1.19 3.28 0.00 -0.75 -4.05 107.32 101.92 3i01 s GLY 636 Ca -0.02 -1.14 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 3i01 s GLY 636 CO 0.81 -0.59 0.88 0.61 0.00 0.00 0.00 173.10 174.80 3i01 n GLY 637 N -3.18 -0.59 1.50 0.20 0.00 -0.59 -3.96 105.19 98.56 3i01 n GLY 637 Ca 0.11 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i01 n GLY 637 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i01 n GLY 638 N -1.33 2.47 3.66 -0.02 0.00 -1.15 -4.64 105.19 104.18 3i01 n GLY 638 Ca -0.22 -0.39 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 3i01 n GLY 638 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i01 n THR 639 N 0.00 0.44 -3.35 2.61 -2.24 -1.25 -4.85 114.28 105.63 3i01 n THR 639 Ca 0.00 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3i01 n THR 639 Cb 0.00 -1.41 -0.07 0.00 -2.10 0.00 0.00 70.33 66.75 3i01 n THR 639 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3i01 s GLN 640 N 0.26 4.22 -0.48 -0.78 0.74 -1.26 -4.56 119.66 117.80 3i01 s GLN 640 Ca 0.75 0.30 0.03 0.00 0.05 0.00 0.00 55.36 56.48 3i01 s GLN 640 Cb -0.70 -3.51 0.15 0.00 1.10 0.00 0.00 33.01 30.04 3i01 s GLN 640 CO 0.44 -0.01 0.31 0.95 -0.55 0.00 0.00 175.29 176.44 3i01 s THR 641 N 1.19 1.36 -0.00 -0.34 -4.23 -1.26 -5.05 115.64 107.31 3i01 s THR 641 Ca 0.22 -2.87 -0.36 0.00 -1.18 0.00 0.00 61.69 57.49 3i01 s THR 641 Cb -0.15 -1.93 -0.15 0.00 1.34 0.00 0.00 72.50 71.61 3i01 s THR 641 CO 0.09 -1.01 1.60 -2.65 -0.54 0.00 0.00 174.62 172.11 3i01 n PRO 642 N 3.09 1.65 -0.51 3.99 -0.02 -1.26 -0.95 135.00 140.99 3i01 n PRO 642 Ca 0.16 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3i01 n PRO 642 Cb 0.38 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3i01 n PRO 642 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i01 n GLY 643 N 3.50 0.75 3.00 -1.23 0.00 -0.72 -4.99 105.19 105.50 3i01 n GLY 643 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3i01 n GLY 643 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i01 s PHE 644 N -2.74 -0.29 -0.11 1.61 0.40 -0.13 0.91 117.98 117.64 3i01 s PHE 644 Ca 0.00 0.72 -0.11 0.00 -0.60 0.00 0.00 56.93 56.93 3i01 s PHE 644 Cb 0.00 -0.02 0.03 0.00 0.51 0.00 0.00 43.02 43.54 3i01 s PHE 644 CO 0.00 -0.23 0.31 1.41 0.70 0.00 0.00 175.22 177.41 3i01 s MET 645 N 1.45 0.39 -0.14 0.44 1.75 -0.15 -4.51 119.30 118.53 3i01 s MET 645 Ca -0.07 0.37 -0.18 0.00 -1.25 0.00 0.00 55.69 54.56 3i01 s MET 645 Cb -0.11 0.19 -0.04 0.00 2.84 0.00 0.00 34.83 37.71 3i01 s MET 645 CO -0.08 -0.06 0.49 0.20 -0.65 0.00 0.00 175.02 174.92 3i01 s GLY 646 N 0.02 2.30 0.07 2.11 0.00 -1.26 -0.05 107.32 110.51 3i01 s GLY 646 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.45 3i01 s GLY 646 CO 0.01 0.85 -0.04 -0.26 0.00 0.00 0.00 173.10 173.67 3i01 s ILE 647 N 0.91 0.35 0.16 0.90 -4.36 0.73 -4.83 121.20 115.06 3i01 s ILE 647 Ca 0.25 -1.85 -0.30 0.00 -0.26 0.00 0.00 60.65 58.49 3i01 s ILE 647 Cb -0.15 -1.60 -0.07 0.00 1.25 0.00 0.00 42.46 41.89 3i01 s ILE 647 CO 0.10 -0.93 1.17 -0.83 0.24 0.00 0.00 174.94 174.69 3i01 s GLY 648 N -2.96 2.68 0.41 6.27 0.00 -1.13 -1.00 107.32 111.59 3i01 s GLY 648 Ca 0.09 0.90 0.18 0.00 0.00 0.00 0.00 44.72 45.89 3i01 s GLY 648 CO -0.08 1.83 1.80 3.21 0.00 0.00 0.00 173.10 179.87 3i01 h ARG 649 N 5.47 0.39 -0.22 2.90 3.08 -1.92 -2.54 114.38 121.53 3i01 h ARG 649 Ca -0.44 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 3i01 h ARG 649 Cb 1.21 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 3i01 h ARG 649 CO 0.75 0.26 -0.16 1.79 -1.07 0.00 0.00 179.97 181.54 3i01 h THR 650 N 0.40 1.22 -0.53 2.04 1.35 -1.97 -0.92 112.91 114.50 3i01 h THR 650 Ca 0.55 -0.99 0.15 0.00 -0.55 0.00 0.00 66.41 65.57 3i01 h THR 650 Cb 1.39 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 3i01 h THR 650 CO -0.24 0.32 0.59 0.22 -0.25 0.00 0.00 175.52 176.16 3i01 h TYR 651 N 0.35 0.00 -0.00 4.73 3.20 -1.79 -2.14 116.97 121.32 3i01 h TYR 651 Ca 0.06 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3i01 h TYR 651 Cb 0.49 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 3i01 h TYR 651 CO 0.01 0.00 -0.08 0.82 -1.64 0.00 0.00 178.16 177.27 3i01 h ILE 652 N 0.00 1.06 -0.46 1.81 2.04 -1.29 -2.33 117.51 118.33 3i01 h ILE 652 Ca 0.25 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3i01 h ILE 652 Cb 1.44 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3i01 h ILE 652 CO -0.00 0.09 0.00 1.33 0.00 0.00 0.00 178.15 179.56 3i01 n VAL 653 N -4.44 2.59 -2.78 1.67 0.24 -0.80 -4.86 118.33 109.95 3i01 n VAL 653 Ca -0.03 -1.58 -0.31 0.00 -2.04 0.00 0.00 64.34 60.38 3i01 n VAL 653 Cb 0.16 -0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 3i01 n VAL 653 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i01 s SER 654 N -1.20 6.63 0.39 -1.34 0.15 -0.88 -4.98 113.70 112.47 3i01 s SER 654 Ca 0.50 1.32 0.20 0.00 0.70 0.00 0.00 55.95 58.68 3i01 s SER 654 Cb 0.39 -2.40 0.65 0.00 -1.71 0.00 0.00 66.02 62.96 3i01 s SER 654 CO 0.14 -0.41 1.71 0.11 1.20 0.00 0.00 173.24 175.99 3i01 h LYS 655 N 1.39 0.00 -0.07 5.44 6.56 -1.88 -2.76 116.57 125.25 3i01 h LYS 655 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 3i01 h LYS 655 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 3i01 h LYS 655 CO 0.63 0.32 0.00 1.63 -2.06 0.00 0.00 179.45 179.97 3i01 n LYS 656 N -3.39 1.49 -1.60 3.15 4.76 -1.26 -4.80 118.16 116.51 3i01 n LYS 656 Ca 0.00 -0.73 -0.42 0.00 -2.87 0.00 0.00 58.31 54.30 3i01 n LYS 656 Cb 0.52 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 3i01 n LYS 656 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3i01 s PHE 657 N -1.91 1.14 -0.90 2.13 2.19 -1.04 -2.66 117.98 116.93 3i01 s PHE 657 Ca 0.35 0.68 -0.18 0.00 0.33 0.00 0.00 56.93 58.11 3i01 s PHE 657 Cb 0.18 -3.88 0.02 0.00 -1.31 0.00 0.00 43.02 38.04 3i01 s PHE 657 CO 0.29 -3.90 0.33 0.44 1.83 0.00 0.00 175.22 174.21 3i01 n ILE 658 N 7.81 -1.47 -0.05 3.12 -5.35 -1.26 -3.80 119.36 118.36 3i01 n ILE 658 Ca 0.31 -0.39 -0.15 0.00 -0.27 0.00 0.00 62.75 62.25 3i01 n ILE 658 Cb 0.46 -1.28 -0.07 0.00 -1.74 0.00 0.00 39.64 37.02 3i01 n ILE 658 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3i01 h SER 659 N -0.87 0.72 -0.06 7.28 4.64 -1.04 0.10 113.55 124.31 3i01 h SER 659 Ca -0.48 -0.58 0.02 0.00 -0.47 0.00 0.00 61.79 60.28 3i01 h SER 659 Cb 0.96 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3i01 h SER 659 CO 0.39 1.17 0.15 0.00 -0.87 0.00 0.00 176.83 177.67 3i01 h ALA 660 N 0.57 1.39 -0.02 5.18 0.00 -1.60 -2.36 119.26 122.41 3i01 h ALA 660 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 660 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i01 h ALA 660 CO 0.10 -0.18 -0.20 -0.25 0.00 0.00 0.00 179.25 178.72 3i01 n ASP 661 N -3.33 2.45 0.00 0.00 8.00 -0.83 -4.97 116.55 117.87 3i01 n ASP 661 Ca -0.01 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.76 3i01 n ASP 661 Cb 0.23 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3i01 n ASP 661 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i01 n GLY 662 N 1.31 1.05 7.00 0.44 0.00 -0.89 -4.93 105.19 109.17 3i01 n GLY 662 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3i01 n GLY 662 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i01 n GLY 663 N -0.41 0.24 0.27 -0.02 0.00 -0.04 -3.93 105.19 101.31 3i01 n GLY 663 Ca 0.00 -0.89 0.18 0.00 0.00 0.00 0.00 46.02 45.30 3i01 n GLY 663 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i01 h ILE 664 N 0.00 0.00 0.00 -0.61 3.07 -1.89 -2.19 117.51 115.89 3i01 h ILE 664 Ca 0.00 -0.44 -0.00 0.00 1.55 0.00 0.00 64.86 65.97 3i01 h ILE 664 Cb 0.00 1.42 -0.00 0.00 -0.27 0.00 0.00 36.82 37.97 3i01 h ILE 664 CO 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 178.15 177.10 3i01 h ALA 665 N 2.02 1.02 -0.02 0.16 0.00 -1.98 -2.60 119.26 117.85 3i01 h ALA 665 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3i01 h ALA 665 Cb 0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i01 h ALA 665 CO 0.00 0.00 -0.87 0.00 0.00 0.00 0.00 179.25 178.38 3i01 h ARG 666 N 0.00 0.36 -6.09 0.00 2.47 -1.60 -3.19 114.38 106.33 3i01 h ARG 666 Ca -0.00 -0.36 -0.63 0.00 -1.26 0.00 0.00 59.98 57.73 3i01 h ARG 666 Cb 0.07 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3i01 h ARG 666 CO 0.00 1.03 1.32 -0.89 0.56 0.00 0.00 179.97 182.00 3i01 n ILE 667 N -3.75 0.38 0.27 2.04 5.41 -0.98 -2.29 119.36 120.43 3i01 n ILE 667 Ca -0.05 -0.26 0.03 0.00 1.00 0.00 0.00 62.75 63.47 3i01 n ILE 667 Cb 0.79 -1.99 -0.04 0.00 -0.71 0.00 0.00 39.64 37.68 3i01 n ILE 667 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3i01 n VAL 668 N 6.61 0.00 -3.74 1.39 0.24 -0.07 -4.80 118.33 117.97 3i01 n VAL 668 Ca 0.31 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 3i01 n VAL 668 Cb 0.32 0.85 -0.11 0.00 -1.47 0.00 0.00 33.84 33.43 3i01 n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3i01 s TRP 669 N -1.87 -0.42 0.02 6.34 -0.00 -1.24 -1.51 118.94 120.27 3i01 s TRP 669 Ca 0.02 0.97 -0.06 0.00 -0.00 0.00 0.00 56.10 57.03 3i01 s TRP 669 Cb 0.05 0.15 -0.00 0.00 -0.00 0.00 0.00 33.47 33.66 3i01 s TRP 669 CO 0.30 -0.22 0.11 -1.64 -0.00 0.00 0.00 176.95 175.49 3i01 s MET 670 N 0.63 0.50 0.45 5.86 -1.94 -0.87 -1.11 119.30 122.82 3i01 s MET 670 Ca -0.04 -0.54 -0.23 0.00 -1.71 0.00 0.00 55.69 53.18 3i01 s MET 670 Cb -0.05 0.20 -0.08 0.00 2.01 0.00 0.00 34.83 36.91 3i01 s MET 670 CO -0.04 -0.12 1.12 -2.14 -0.01 0.00 0.00 175.02 173.83 3i01 s PRO 671 N -1.80 3.87 0.29 2.03 0.02 -1.26 -3.97 135.00 134.18 3i01 s PRO 671 Ca -0.12 1.65 0.04 0.00 0.02 0.00 0.00 61.00 62.59 3i01 s PRO 671 Cb -0.06 -2.40 0.73 0.00 0.02 0.00 0.00 34.50 32.79 3i01 s PRO 671 CO -0.01 -0.43 1.71 -0.22 -0.33 0.00 0.00 177.00 177.72 3i01 h LYS 672 N 2.10 0.43 -0.86 5.54 3.64 -1.94 0.24 116.57 125.73 3i01 h LYS 672 Ca -0.49 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 58.98 3i01 h LYS 672 Cb 1.24 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 3i01 h LYS 672 CO 0.61 0.29 0.56 0.66 -2.27 0.00 0.00 179.45 179.29 3i01 h SER 673 N 0.44 0.71 -0.30 4.20 4.64 -1.99 -0.02 113.55 121.23 3i01 h SER 673 Ca 0.56 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.80 3i01 h SER 673 Cb 1.04 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3i01 h SER 673 CO -0.50 0.40 -0.22 0.25 -0.87 0.00 0.00 176.83 175.88 3i01 h LEU 674 N 0.77 0.72 -0.73 5.97 6.46 -0.90 -1.40 115.31 126.20 3i01 h LEU 674 Ca 0.41 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3i01 h LEU 674 Cb 0.52 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 3i01 h LEU 674 CO -0.17 1.01 0.47 0.11 -0.62 0.00 0.00 178.44 179.23 3i01 h LYS 675 N 0.43 0.97 -0.47 1.25 1.57 -0.80 -2.29 116.57 117.23 3i01 h LYS 675 Ca 0.06 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3i01 h LYS 675 Cb 0.78 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3i01 h LYS 675 CO 0.06 0.66 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.12 3i01 h ASP 676 N 0.99 0.76 0.29 0.86 3.32 -0.96 0.15 116.42 121.83 3i01 h ASP 676 Ca 0.27 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3i01 h ASP 676 Cb -0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3i01 h ASP 676 CO -0.06 0.85 -0.38 0.15 -1.72 0.00 0.00 179.24 178.09 3i01 h PHE 677 N 0.73 0.16 0.00 4.55 3.57 -0.80 -3.29 116.94 121.86 3i01 h PHE 677 Ca 0.14 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3i01 h PHE 677 Cb 0.49 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3i01 h PHE 677 CO 0.03 0.50 -1.65 1.28 -2.23 0.00 0.00 178.31 176.24 3i01 n LEU 678 N -4.06 0.00 0.00 0.59 4.77 -0.90 -4.85 117.00 112.54 3i01 n LEU 678 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3i01 n LEU 678 Cb 0.44 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3i01 n LEU 678 CO 0.40 0.04 0.00 1.57 -1.33 0.00 0.00 177.39 178.08 3i01 n HIS 679 N -2.04 0.00 -0.10 -1.77 -0.00 0.52 -0.45 115.22 111.38 3i01 n HIS 679 Ca -0.05 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.00 3i01 n HIS 679 Cb 0.43 -0.35 -0.02 0.00 -0.12 0.00 0.00 29.99 29.93 3i01 n HIS 679 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3i01 h ASP 680 N 0.00 0.97 1.01 0.26 3.32 -1.87 0.24 116.42 120.35 3i01 h ASP 680 Ca 0.00 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 3i01 h ASP 680 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3i01 h ASP 680 CO 0.00 1.26 -0.36 -0.33 -1.72 0.00 0.00 179.24 178.08 3i01 h GLU 681 N 0.72 0.00 0.19 3.56 3.07 -1.13 -2.61 114.58 118.37 3i01 h GLU 681 Ca 0.05 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3i01 h GLU 681 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3i01 h GLU 681 CO 0.10 0.36 -0.09 0.35 -1.40 0.00 0.00 179.01 178.34 3i01 h PHE 682 N 0.00 -0.23 -0.31 4.33 3.57 -0.60 0.25 116.94 123.95 3i01 h PHE 682 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3i01 h PHE 682 Cb 0.97 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.71 3i01 h PHE 682 CO 0.00 0.17 -0.52 0.28 -2.23 0.00 0.00 178.31 176.02 3i01 h VAL 683 N -0.89 0.04 -1.19 1.41 2.07 -0.67 0.24 116.25 117.25 3i01 h VAL 683 Ca -0.03 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.85 3i01 h VAL 683 Cb 0.51 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 3i01 h VAL 683 CO 0.04 0.00 0.77 -0.09 0.02 0.00 0.00 177.57 178.31 3i01 h ARG 684 N -0.45 0.21 0.09 1.57 2.43 -1.51 -2.25 114.38 114.48 3i01 h ARG 684 Ca 0.08 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 3i01 h ARG 684 Cb 0.62 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3i01 h ARG 684 CO -0.53 0.14 -1.36 0.00 -1.51 0.00 0.00 179.97 176.71 3i01 h ARG 685 N 0.22 0.20 -0.87 0.20 2.47 0.12 -3.06 114.38 113.65 3i01 h ARG 685 Ca 0.72 -0.34 -0.01 0.00 -1.26 0.00 0.00 59.98 59.09 3i01 h ARG 685 Cb 2.10 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 30.50 3i01 h ARG 685 CO -0.36 1.09 0.51 0.66 0.56 0.00 0.00 179.97 182.42 3i01 h SER 686 N 0.05 1.05 -0.07 7.04 4.64 -0.04 -2.34 113.55 123.89 3i01 h SER 686 Ca -0.17 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 60.87 3i01 h SER 686 Cb 1.96 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 63.79 3i01 h SER 686 CO 0.16 0.82 -0.74 0.58 -0.87 0.00 0.00 176.83 176.79 3i01 h VAL 687 N 1.20 1.30 0.00 0.95 2.07 -1.56 0.08 116.25 120.29 3i01 h VAL 687 Ca 0.31 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.86 3i01 h VAL 687 Cb -0.02 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3i01 h VAL 687 CO -0.06 0.62 0.00 -0.62 0.02 0.00 0.00 177.57 177.54 3i01 n GLU 688 N -3.92 0.17 -0.01 1.57 1.02 -1.16 -1.92 120.64 116.39 3i01 n GLU 688 Ca -0.06 0.56 0.10 0.00 -0.02 0.00 0.00 57.16 57.74 3i01 n GLU 688 Cb 0.72 -1.95 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 3i01 n GLU 688 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i01 n GLU 689 N -2.29 0.47 -2.84 3.49 -0.58 -0.73 -5.01 120.64 113.15 3i01 n GLU 689 Ca -0.00 -0.10 -0.08 0.00 -0.42 0.00 0.00 57.16 56.55 3i01 n GLU 689 Cb 0.11 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 3i01 n GLU 689 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i01 n GLY 690 N 1.39 0.35 0.23 0.62 0.00 -0.12 -4.94 105.19 102.71 3i01 n GLY 690 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.73 3i01 n GLY 690 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i01 n LEU 691 N -2.18 1.69 0.00 0.99 4.77 -0.40 -5.03 117.00 116.84 3i01 n LEU 691 Ca -0.02 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 3i01 n LEU 691 Cb 0.53 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3i01 n LEU 691 CO 0.24 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3i01 n GLY 692 N 0.21 -1.13 0.29 -0.72 0.00 -1.24 -4.13 105.19 98.46 3i01 n GLY 692 Ca 0.04 -1.59 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 3i01 n GLY 692 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i01 h GLU 693 N 0.00 0.74 0.00 1.61 5.08 -1.89 -3.15 114.58 116.97 3i01 h GLU 693 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3i01 h GLU 693 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3i01 h GLU 693 CO 0.00 0.68 0.01 0.38 -1.00 0.00 0.00 179.01 179.08 3i01 h ASP 694 N 0.71 0.00 -0.49 1.42 2.03 -1.96 -3.36 116.42 114.78 3i01 h ASP 694 Ca 0.16 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.55 3i01 h ASP 694 Cb 0.29 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.72 3i01 h ASP 694 CO 0.00 0.00 0.06 0.15 -1.03 0.00 0.00 179.24 178.42 3i01 h PHE 695 N 0.00 0.08 -0.62 4.15 3.57 -1.70 -2.19 116.94 120.23 3i01 h PHE 695 Ca 0.00 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.71 3i01 h PHE 695 Cb 0.01 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3i01 h PHE 695 CO 0.00 -0.05 0.52 0.97 -2.23 0.00 0.00 178.31 177.52 3i01 h ILE 696 N 0.18 0.50 0.00 1.41 2.10 -1.86 0.33 117.51 120.18 3i01 h ILE 696 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.19 3i01 h ILE 696 Cb 0.35 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 3i01 h ILE 696 CO -0.35 0.00 -0.33 0.47 -1.08 0.00 0.00 178.15 176.85 3i01 n ASP 697 N -4.03 0.44 0.15 2.19 8.00 -0.83 -3.36 116.55 119.11 3i01 n ASP 697 Ca 0.12 0.13 0.03 0.00 0.71 0.00 0.00 54.79 55.78 3i01 n ASP 697 Cb 0.76 -0.10 0.18 0.00 -0.02 0.00 0.00 41.12 41.94 3i01 n ASP 697 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3i01 h LYS 698 N 0.00 0.00 -6.69 -1.24 1.57 -0.36 -3.45 116.57 106.40 3i01 h LYS 698 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3i01 h LYS 698 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.90 3i01 h LYS 698 CO 0.00 0.50 0.47 0.42 -0.57 0.00 0.00 179.45 180.28 3i01 s ILE 699 N -3.32 3.79 0.83 1.86 1.01 -1.16 -4.67 121.20 119.54 3i01 s ILE 699 Ca 0.01 1.60 -0.12 0.00 0.00 0.00 0.00 60.65 62.15 3i01 s ILE 699 Cb 0.10 -4.02 0.09 0.00 0.01 0.00 0.00 42.46 38.64 3i01 s ILE 699 CO 0.72 0.30 1.12 0.00 0.00 0.00 0.00 174.94 177.08 3i01 s ALA 700 N -0.45 2.14 0.38 9.38 0.00 -0.57 -4.92 121.76 127.72 3i01 s ALA 700 Ca 0.48 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 3i01 s ALA 700 Cb -0.30 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 19.80 3i01 s ALA 700 CO 0.36 -1.89 0.74 0.16 0.00 0.00 0.00 175.76 175.14 3i01 s ASP 701 N -4.01 0.12 0.49 0.00 1.47 -1.25 -2.04 116.67 111.44 3i01 s ASP 701 Ca 0.62 -1.17 0.17 0.00 1.18 0.00 0.00 52.55 53.35 3i01 s ASP 701 Cb -0.14 0.82 0.95 0.00 -0.34 0.00 0.00 42.92 44.21 3i01 s ASP 701 CO 0.53 -1.63 1.47 1.05 0.68 0.00 0.00 175.17 177.28 3i01 h GLU 702 N 2.02 0.00 0.00 2.11 9.09 -1.73 0.41 114.58 126.47 3i01 h GLU 702 Ca -0.31 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.00 3i01 h GLU 702 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 3i01 h GLU 702 CO 0.40 0.00 -0.50 1.79 0.05 0.00 0.00 179.01 180.75 3i01 h THR 703 N 0.00 0.79 0.00 -1.06 1.35 -1.96 -3.37 112.91 108.67 3i01 h THR 703 Ca 0.00 -2.12 -0.04 0.00 -0.55 0.00 0.00 66.41 63.69 3i01 h THR 703 Cb 0.82 2.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.62 3i01 h THR 703 CO 0.00 0.45 -0.43 0.40 -0.25 0.00 0.00 175.52 175.69 3i01 h ILE 704 N 0.00 0.42 -2.15 6.82 5.03 -0.58 -3.51 117.51 123.54 3i01 h ILE 704 Ca -0.01 -1.41 0.33 0.00 -0.12 0.00 0.00 64.86 63.66 3i01 h ILE 704 Cb 1.36 0.88 -0.07 0.00 -3.03 0.00 0.00 36.82 35.97 3i01 h ILE 704 CO 0.06 0.14 0.88 -0.83 -0.68 0.00 0.00 178.15 177.72 3i01 s GLY 705 N -4.15 -0.11 0.00 5.37 0.00 -1.00 -4.68 107.32 102.76 3i01 s GLY 705 Ca -0.14 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3i01 s GLY 705 CO 0.29 5.37 0.50 -1.30 0.00 0.00 0.00 173.10 177.95 3i01 n THR 706 N -0.89 0.05 -4.09 0.90 -2.24 -1.26 -4.17 114.28 102.58 3i01 n THR 706 Ca 0.03 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 3i01 n THR 706 Cb 0.59 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 3i01 n THR 706 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i01 s THR 707 N -0.05 0.49 0.45 4.28 -4.23 -1.26 -0.94 115.64 114.38 3i01 s THR 707 Ca 0.00 -1.46 0.12 0.00 -1.18 0.00 0.00 61.69 59.17 3i01 s THR 707 Cb 0.00 -1.06 0.23 0.00 1.34 0.00 0.00 72.50 73.01 3i01 s THR 707 CO 0.00 -0.65 2.05 0.58 -0.54 0.00 0.00 174.62 176.05 3i01 h VAL 708 N 3.80 1.09 -0.47 2.29 2.07 -1.93 -2.28 116.25 120.81 3i01 h VAL 708 Ca -0.35 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 66.92 3i01 h VAL 708 Cb 1.18 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3i01 h VAL 708 CO 0.53 0.11 0.16 0.44 0.02 0.00 0.00 177.57 178.83 3i01 h ASP 709 N 0.22 0.16 0.64 0.57 3.45 -1.97 -2.83 116.42 116.67 3i01 h ASP 709 Ca 0.05 0.06 -0.16 0.00 0.43 0.00 0.00 57.03 57.41 3i01 h ASP 709 Cb 0.11 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 3i01 h ASP 709 CO -0.00 0.12 -0.75 -0.33 -1.57 0.00 0.00 179.24 176.71 3i01 h GLU 710 N 0.33 0.08 0.00 3.56 5.08 -1.78 -3.38 114.58 118.48 3i01 h GLU 710 Ca 0.22 -0.08 -0.27 0.00 -1.00 0.00 0.00 59.36 58.24 3i01 h GLU 710 Cb 0.23 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3i01 h GLU 710 CO -0.23 0.79 -2.02 0.44 -1.00 0.00 0.00 179.01 176.99 3i01 n ILE 711 N -3.69 1.22 -0.06 3.13 -5.35 -1.08 -4.42 119.36 109.09 3i01 n ILE 711 Ca -0.02 -0.77 -0.08 0.00 -0.27 0.00 0.00 62.75 61.62 3i01 n ILE 711 Cb 0.72 -0.57 -0.01 0.00 -1.74 0.00 0.00 39.64 38.04 3i01 n ILE 711 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3i01 h LEU 712 N 0.00 -0.07 -1.17 7.28 5.85 -1.67 -1.56 115.31 123.97 3i01 h LEU 712 Ca -0.35 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.58 3i01 h LEU 712 Cb 1.91 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.95 3i01 h LEU 712 CO 0.04 -0.00 0.60 1.55 -0.34 0.00 0.00 178.44 180.29 3i01 h PRO 713 N 0.10 0.73 0.45 5.25 0.13 -1.78 -1.02 132.00 135.86 3i01 h PRO 713 Ca 0.12 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3i01 h PRO 713 Cb 0.15 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 3i01 h PRO 713 CO -0.19 0.48 -0.35 -0.92 -0.23 0.00 0.00 178.00 176.79 3i01 h TYR 714 N 0.75 -0.94 -0.62 1.56 3.20 -1.68 -2.20 116.97 117.04 3i01 h TYR 714 Ca 0.50 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.42 3i01 h TYR 714 Cb 0.77 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 3i01 h TYR 714 CO -0.00 -0.51 0.35 -0.07 -1.64 0.00 0.00 178.16 176.28 3i01 h LEU 715 N -0.79 0.52 0.29 2.82 3.38 -0.24 -0.14 115.31 121.16 3i01 h LEU 715 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3i01 h LEU 715 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3i01 h LEU 715 CO -0.00 0.35 -0.21 -0.33 0.09 0.00 0.00 178.44 178.33 3i01 h GLU 716 N 0.65 -0.48 0.00 1.13 5.08 -1.29 0.15 114.58 119.82 3i01 h GLU 716 Ca 0.27 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3i01 h GLU 716 Cb 0.14 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3i01 h GLU 716 CO -0.16 -0.32 -0.31 1.49 -1.00 0.00 0.00 179.01 178.71 3i01 h GLU 717 N -0.50 0.00 -0.01 2.33 4.22 -0.97 -0.04 114.58 119.61 3i01 h GLU 717 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3i01 h GLU 717 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3i01 h GLU 717 CO 0.01 0.31 -0.19 1.63 -2.18 0.00 0.00 179.01 178.59 3i01 n LYS 718 N -4.04 0.71 -3.14 1.92 4.76 -0.10 -4.98 118.16 113.29 3i01 n LYS 718 Ca -0.02 -0.33 -0.05 0.00 -2.87 0.00 0.00 58.31 55.04 3i01 n LYS 718 Cb 0.36 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.08 3i01 n LYS 718 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i01 n GLY 719 N 1.32 -1.22 3.68 0.72 0.00 -0.03 -4.94 105.19 104.72 3i01 n GLY 719 Ca 0.13 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 3i01 n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i01 s HIS 720 N -3.11 2.86 0.35 1.61 2.46 0.43 -4.94 115.29 114.95 3i01 s HIS 720 Ca 0.13 0.91 0.18 0.00 0.47 0.00 0.00 55.06 56.76 3i01 s HIS 720 Cb -0.02 -3.58 1.24 0.00 -0.13 0.00 0.00 32.58 30.09 3i01 s HIS 720 CO 0.75 -2.08 1.52 -2.30 -2.47 0.00 0.00 174.74 170.16 3i01 n PRO 721 N 5.82 -0.06 -0.06 2.88 -0.02 -1.26 -1.53 135.00 140.77 3i01 n PRO 721 Ca 0.13 1.34 -0.01 0.00 -2.02 0.00 0.00 63.50 62.94 3i01 n PRO 721 Cb 0.45 -2.38 0.26 0.00 -0.02 0.00 0.00 33.50 31.80 3i01 n PRO 721 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i01 h ALA 722 N 1.93 1.32 -0.94 3.55 0.00 -1.89 -2.98 119.26 120.25 3i01 h ALA 722 Ca 0.79 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.63 3i01 h ALA 722 Cb 2.06 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.60 3i01 h ALA 722 CO -0.76 0.47 0.60 -0.07 0.00 0.00 0.00 179.25 179.50 3i01 h LEU 723 N 0.64 0.83 -3.02 0.00 3.38 -1.49 -2.64 115.31 113.02 3i01 h LEU 723 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3i01 h LEU 723 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i01 h LEU 723 CO 0.00 0.46 0.00 0.35 0.09 0.00 0.00 178.44 179.35 3i01 n THR 724 N -4.57 1.44 -1.43 0.22 -2.24 -1.20 -4.96 114.28 101.55 3i01 n THR 724 Ca 0.17 -1.43 -0.30 0.00 -2.27 0.00 0.00 64.05 60.22 3i01 n THR 724 Cb 0.35 0.20 0.09 0.00 -2.10 0.00 0.00 70.33 68.87 3i01 n THR 724 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3i01 s MET 725 N -1.74 2.08 0.69 -0.78 -1.94 -1.00 -5.02 119.30 111.59 3i01 s MET 725 Ca 0.22 0.83 -0.17 0.00 -1.71 0.00 0.00 55.69 54.87 3i01 s MET 725 Cb 0.16 -1.90 0.00 0.00 2.01 0.00 0.00 34.83 35.10 3i01 s MET 725 CO 0.07 -1.67 1.10 -0.40 -0.01 0.00 0.00 175.02 174.11 3i01 n ASP 726 N -3.50 1.07 -4.65 3.03 5.68 -1.26 -4.93 116.55 111.99 3i01 n ASP 726 Ca 0.07 0.72 -0.39 0.00 -0.50 0.00 0.00 54.79 54.70 3i01 n ASP 726 Cb 0.55 -1.46 0.04 0.00 -1.14 0.00 0.00 41.12 39.10 3i01 n ASP 726 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 3i01 n PRO 727 N -1.94 1.27 -3.74 0.11 -0.02 -1.26 -4.98 135.00 124.43 3i01 n PRO 727 Ca 0.14 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 3i01 n PRO 727 Cb 0.49 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 3i01 n PRO 727 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3i01 s ILE 728 N -1.38 3.77 -2.18 4.25 2.07 -1.26 -5.16 121.20 121.31 3i01 s ILE 728 Ca 0.70 -4.01 0.31 0.00 -1.41 0.00 0.00 60.65 56.24 3i01 s ILE 728 Cb -0.46 -3.38 0.78 0.00 0.13 0.00 0.00 42.46 39.53 3i01 s ILE 728 CO 0.51 -1.05 2.06 0.23 -1.91 0.00 0.00 174.94 174.78